smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 86058014 ZWSSAEMMIGVANY-GFCCVEGCSA-N 384.417 0.833 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1 155627762 XETSDCZIYRPQSC-UHFFFAOYSA-N 389.415 0.910 30 10 GCEE CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 169372694 TVZHDVCTOCZDNE-QDITUVQOSA-N 382.409 0.096 30 10 GCEE C/N=C(/NCCN1CCCN(C)CC1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 262021667 YYGVLRWZYOTSKJ-LJQANCHMSA-N 392.592 0.970 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)CC1 265017830 NDTIGUZKHAVXDO-CVEARBPZSA-N 394.541 0.218 30 10 GCEE COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265322506 JCHLKSNIXAUNOW-CQSZACIVSA-N 381.454 0.876 30 10 GCEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 272427914 OJOBOUAFPLNVLB-YGRLFVJLSA-N 384.385 0.813 30 10 GCEE N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 273646611 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C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)NCC(=O)OC)cc2C1=O 416111959 PCYWASWSWYETON-OAHLLOKOSA-N 399.403 0.362 30 10 GCEE COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 416648684 AUAJTUIVDLNHFZ-ZDUSSCGKSA-N 385.829 0.654 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCCNC3)C2=O)cc1 418958482 GFEMRUMSZUXKDX-SJORKVTESA-N 383.452 0.034 30 10 GCEE CS(=O)(=O)c1nccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 460086732 VOJMSPFSLTXLAJ-UHFFFAOYSA-N 389.412 0.853 30 10 GCEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC1CCN(CC#N)CC1 464978242 OXMXEGVSUUWBJQ-ZDUSSCGKSA-N 382.461 0.844 30 10 GCEE COC1CCC(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 499287276 KQJHHEOSICDTHV-UHFFFAOYSA-N 385.468 0.923 30 10 GCEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)NCC#N)s1 511018344 SAKYPEJBCJMNOO-UHFFFAOYSA-N 386.499 0.371 30 10 GCEE CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 521011220 PFDYHONJHHLQPG-UHFFFAOYSA-N 393.451 0.379 30 10 GCEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1C#N 534056853 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N#CC1(NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCOCC1 1327951092 AQBIJGBPNDXCGG-UHFFFAOYSA-N 388.243 0.899 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1328034778 DMVDQKDGXIXHFB-JFQKMLGASA-N 382.367 0.179 30 10 GCEE N#CCCCCNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1329556331 DKOMIJIKWRXOGV-UHFFFAOYSA-N 378.454 0.971 30 10 GCEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)NCc1ccc(N3CCOCC3)nc1)C2 1329981792 CCBVKFXZSJNBPW-UHFFFAOYSA-N 391.431 0.948 30 10 GCEE C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1330473787 GAOUIQDKLDMMFO-UHFFFAOYSA-N 392.500 0.388 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CN(C)C(=O)O3)C2)s1 1330878476 CDVLYRXRBQRVSU-UHFFFAOYSA-N 385.467 0.418 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CCN1C1CC1 1331015760 XPKSPKQQYPLYLN-RTBURBONSA-N 392.463 0.939 30 10 GCEE C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CC[C@](OC)(C(=O)OC)C1 1340448605 GAEAWVMYLYNGMY-KBXCAEBGSA-N 379.461 0.189 30 10 GCEE C=CCn1c([C@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)nnc1N1CCN(C(=O)COC)CC1 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399.426 0.988 30 10 GCEE COc1ccc([S@](C)(=O)=NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1456061324 YVMWQAOLBWYQMT-SANMLTNESA-N 376.394 0.903 30 10 GCEE N#Cc1ncn(CCNC(=O)c2cccc(I)c2N)n1 1467838568 JDYWKBVABZMPOX-UHFFFAOYSA-N 382.165 0.767 30 10 GCEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OC 1475579594 VRSNXZDMADLMPB-CYBMUJFWSA-N 394.446 0.983 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2=O)cc1 1478569805 ZRTMTXDDVVFDHH-FVJLSDCUSA-N 395.463 0.956 30 10 GCEE C=CC(C)(C)C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1486527848 WTMLSUDMJBSOBG-QXSJWSMHSA-N 377.485 0.832 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1507616357 JMKVYJPJYYRSCE-HNNXBMFYSA-N 392.485 0.141 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508080143 KXCBDIDTTUUUFK-GFCCVEGCSA-N 397.361 0.805 30 10 GCEE C=C(C)CCC(=O)N1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1513402849 JJPUKGKTEWZOPX-LVQVYYBASA-N 381.473 0.498 30 10 GCEE 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C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 114938837 PJYFDJSRIFLXOC-UHFFFAOYSA-N 397.483 0.705 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)nn2C)cc1 135770314 ZWRMKOUSFQAMLT-UHFFFAOYSA-N 398.448 0.984 30 10 GCEE CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 189352824 LSERUPYGTYHGDB-BBWFWOEESA-N 390.488 0.832 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 190445058 AJUZDEGEHBIXRT-UHFFFAOYSA-N 382.464 0.871 30 10 GCEE C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 261686320 IBMDRKJZSXJULZ-UONOGXRCSA-N 388.534 0.507 30 10 GCEE CC/N=C(/NCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 262481495 RPCCQYOVYWERSM-MWDXBVQZSA-N 378.498 0.909 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)OC)cc1 276129248 LIEQLTPDVJFVLT-STQMWFEESA-N 383.470 0.971 30 10 GCEE C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 286128238 OTNSURMQICFRIZ-RDJZCZTQSA-N 381.440 0.019 30 10 GCEE CN(C)C(=O)CCN1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 296355118 QOOHUYLTYWRTKV-UHFFFAOYSA-N 382.461 0.623 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)CCN1C1CC1 366019046 UNTUQGZKKGGMDB-JKSUJKDBSA-N 384.436 0.992 30 10 GCEE CN(C)S(=O)(=O)N1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 366341140 BKQHIUMYSQELKP-UHFFFAOYSA-N 379.438 0.108 30 10 GCEE C[C@H](NC(=O)CNS(C)(=O)=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 404919746 SVQCFWOSADTFBW-LBPRGKRZSA-N 382.291 0.712 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 414040094 YNPIQPLCVVEFGK-DZGCQCFKSA-N 392.481 0.741 30 10 GCEE COc1cccc(N2CC[C@H](CNC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1 444507933 NTZZJCCXKQBLKF-OAHLLOKOSA-N 396.451 1.387 30 10 GCEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCOCC2=O)CC1 473580279 BLFAFTLHYMLRLP-INIZCTEOSA-N 376.844 0.908 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 508937788 CWMQDVSGHXQLDV-WMLDXEAASA-N 399.517 0.802 30 10 GCEE CO[C@@H](CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 515403508 LRDQQICPPVXGQV-ZDUSSCGKSA-N 399.373 0.685 30 10 GCEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)co1 545462757 NYTPXUQDMIVVCZ-UHFFFAOYSA-N 389.437 0.759 30 10 GCEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)NC2(CCCC2)C1=O 545463293 NCDWHCDWFBAXGB-AWEZNQCLSA-N 396.451 0.855 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)c2cccnc2)cc1 564117295 BXOGHBKISUGEJM-MRXNPFEDSA-N 388.449 0.779 30 10 GCEE COC(C)(C)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 566488271 RYWOGXOLEAAFND-UHFFFAOYSA-N 375.472 0.534 30 10 GCEE CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 570747647 WNXVLLWHUFFHLO-ZDUSSCGKSA-N 375.447 0.541 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1 570969708 ZISVIXLLCZOWKL-HOTGVXAUSA-N 396.557 0.613 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCC[C@H]3CCO)c2)CC1 571416880 IOBZJQLMFQGVKO-ZDUSSCGKSA-N 399.494 0.557 30 10 GCEE CO[C@H](C)CN(C(C)C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575195749 UHFHDMMSXYTRTH-CYBMUJFWSA-N 389.499 0.922 30 10 GCEE CC1(C)COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 576002806 DJFWDUICPNDCNI-CQSZACIVSA-N 399.494 0.724 30 10 GCEE N#CC1(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)CC1 583883147 HUCKDQKAEMUUIP-UHFFFAOYSA-N 380.451 0.603 30 10 GCEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)NCCN3CCOCC3)C2)c1 585946109 INPXJNVAHUDYBS-SFHVURJKSA-N 385.468 0.794 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CC2)n1 590991693 QDCQPKWADZXYTA-SJORKVTESA-N 399.451 0.008 30 10 GCEE CCN1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1 593581185 PEBROAGJHGOFNE-UHFFFAOYSA-N 380.470 0.261 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)n1 595124565 LSDVJCIZGNQJOD-CYBMUJFWSA-N 393.325 1.050 30 10 GCEE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1 599208469 HLJJYPPXRBBMBB-AWEZNQCLSA-N 390.425 0.899 30 10 GCEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1F 599944779 ZLKOCACESAYJRW-ZYHUDNBSSA-N 379.344 0.455 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@]23C[C@H]2COC3(C)C)cc1 600763926 OOIGHVKGTOIJFJ-BLLLJJGKSA-N 399.494 0.676 30 10 GCEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615800454 MOQWUFRSZQIPSC-CQSZACIVSA-N 391.497 0.407 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 658227259 YFWNKIXTVFTJOX-CQSZACIVSA-N 382.424 0.681 30 10 GCEE CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccoc2)c1=O 727416768 MTAGBJTYGCFUKJ-UHFFFAOYSA-N 389.477 0.957 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 773656924 NELOIUXOWKSHRM-AWEZNQCLSA-N 378.450 0.899 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(CC(C)C)nn1C)[C@H]1CCS(=O)(=O)C1 783481934 RZTWBBRRSFIODR-AWEZNQCLSA-N 380.470 0.206 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc2scnc2c1)[C@@H]1CCS(=O)(=O)C1 783482475 YANUPWONHKHOOW-GFCCVEGCSA-N 377.447 0.884 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 792033982 OSUUVXXRHMBGMM-SFHVURJKSA-N 386.452 0.635 30 10 GCEE CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 801289748 ULFTZSAYWVDXBS-UHFFFAOYSA-N 385.449 0.824 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 807002058 HHFYIHDSWHQASQ-OAHLLOKOSA-N 378.450 0.501 30 10 GCEE C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC)C1 808032307 VBBSPWRBRDJNON-MNOVXSKESA-N 376.251 0.994 30 10 GCEE C#CCN(CC(=O)N1CCC[C@](C)(O)CC1)CC(=O)N1CCC[C@@](C)(O)CC1 822578299 KEJPZAROYJMAOX-OYRHEFFESA-N 393.528 0.449 30 10 GCEE C=CCCOC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 835835243 KRRPEPSMWRKDKP-AAEUAGOBSA-N 387.458 0.755 30 10 GCEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CCN(C)S2(=O)=O)cc1 842689136 VEHAQBYLDWPMCQ-LSDHHAIUSA-N 379.438 0.097 30 10 GCEE COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@@H](C)O1 846271052 QQNHQEVPTAJZLK-COXVUDFISA-N 375.425 0.312 30 10 GCEE COC1(CNC(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCOCC1 846732002 LSWPZTYRQBOQPQ-MRXNPFEDSA-N 375.425 0.362 30 10 GCEE C#C[C@H]1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 847033361 PKCVAEPRZWQUIR-PXNSSMCTSA-N 397.475 0.842 30 10 GCEE C#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)Nc1nonc1C 848957610 CDEWTEGHYDUMSZ-UHFFFAOYSA-N 390.487 0.717 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C)c(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 850426035 VXGPHDJPKOMGAV-CQSZACIVSA-N 378.450 0.899 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@]1(OCCO)CCOC1 850594658 HYNXIZJQRJDKDA-GOSISDBHSA-N 380.372 0.060 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC3(CCCC3)OC[C@H]2C)c1=O 853578465 NUHXSWCLACNTHO-OAHLLOKOSA-N 376.457 0.535 30 10 GCEE C#CCN(C(=O)NCc1cnc(C(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 854288849 LHLHKCYHSDNKDO-NSHDSACASA-N 376.360 0.827 30 10 GCEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 856111485 URCUAEDVQYFUPC-INIZCTEOSA-N 395.437 0.808 30 10 GCEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 856385240 DKZQGXUVZZNGST-UHFFFAOYSA-N 396.513 0.926 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 858923194 ATXMZGIUBYIRND-CABCVRRESA-N 379.457 0.657 30 10 GCEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OCC(=O)Nc1sccc1C#N 860004185 BETRLZGYEZOAHG-UHFFFAOYSA-N 394.453 0.911 30 10 GCEE N#Cc1cccnc1NCCNC(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861564233 HYVVOZDFNQZYLT-CVEARBPZSA-N 399.455 0.332 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 862196172 FQHHMURZAAECPI-GFCCVEGCSA-N 382.800 0.985 30 10 GCEE Cn1cc(C=NNC(=S)NCCN2CCOCC2)c(Br)n1 863067286 QXQKSMOKJWDHRS-UHFFFAOYSA-N 375.296 0.313 30 10 GCEE Cn1nc(Br)nc1C=NNC(=S)NCCCN1CCOCC1 863068860 LQDYGVUQICCXQB-UHFFFAOYSA-N 390.311 0.098 30 10 GCEE CN(C)S(=O)(=O)N1CC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 863544608 ZBXWPQJYGIQFEM-UHFFFAOYSA-N 375.372 0.664 30 10 GCEE C#CC[C@@H](COC)NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 863803894 XHLOGKCCXVGFTP-VBKZILBWSA-N 387.436 0.925 30 10 GCEE C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 874280205 DOHSPPFOVVCTEC-KGLIPLIRSA-N 376.434 0.530 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 875603424 WXNFSNFEHIEVAQ-LIRRHRJNSA-N 381.473 0.904 30 10 GCEE C#CC1(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CCCC1 882537466 JOHKDIYDOWCEJO-UHFFFAOYSA-N 379.482 0.941 30 10 GCEE C=C1[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1C(=O)NCCCN1CCCC1=O 899914189 GZVGIEGXTFCIBC-HDICACEKSA-N 390.484 0.046 30 10 GCEE CN1CCOC[C@]1(CO)CNC(=O)NCCSCc1ccccc1C#N 913923305 LJHZKAWKMBBJDH-GOSISDBHSA-N 378.498 0.784 30 10 GCEE C#CCN(C(=O)N[C@H](CCN(C)C)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 925905996 MZNHILQMAKOEHN-IAGOWNOFSA-N 378.498 0.906 30 10 GCEE C#CC1(O)CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 931144143 NYEKVBNTNAUJHP-OAHLLOKOSA-N 396.534 0.724 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)C1CCN(C)CC1 931267616 UHLYUZJNHXUTON-OXFYSEKESA-N 377.485 0.385 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)nc2C)[C@H](OC)C1 941384593 NVLIWYBEYMGWEP-SVGFKBNWSA-N 376.457 0.665 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1OC 941976253 JTEYQKLERJWPCD-JLNYLFASSA-N 378.429 0.361 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](C)COc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1117112779 ODBDMYQBXZLYOL-JKSUJKDBSA-N 392.477 0.527 30 10 GCEE COCCOCCN(CCO)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1118886236 BTWONNIJJAEUPN-MRXNPFEDSA-N 375.425 0.395 30 10 GCEE C=CC[C@@H]1N(C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)CCCC1(C)C 1119091949 REAGXFRXXRWFBV-YWZLYKJASA-N 393.484 0.324 30 10 GCEE C#CCC1(O)CCN(C(=O)[C@@H]2CC[C@H]2C(=O)N2CCC(O)(CC#C)CC2)CC1 1119342913 MYIUKNRUONNQSW-QZTJIDSGSA-N 386.492 0.766 30 10 GCEE C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 1121150430 OUOUUIUBJZYDRJ-MRXNPFEDSA-N 399.447 0.877 30 10 GCEE C=CCn1c(C[C@@H]2CCCCNC2=O)nnc1N1CC[C@](OC)(C(=O)OC)C1 1121516567 GIBBRDBLIUEOGF-IFXJQAMLSA-N 391.472 0.691 30 10 GCEE C#CCN(c1nnc([C@H](C)c2cnn(C)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 1122059268 UZHPAGVIPVFYSL-UKRRQHHQSA-N 376.486 0.810 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)n1 1123693760 DHGAGUHSXCOGIF-AEFFLSMTSA-N 376.505 0.309 30 10 GCEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1213875183 CZYLNLPXXQVZAD-UHFFFAOYSA-N 399.480 0.855 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1 1261828353 HOUVRPROCDDMQG-JTQLQIEISA-N 381.410 0.615 30 10 GCEE C#CCOCCNC(=O)C(=O)N1CCC[C@H]1c1ncc(Br)cn1 1262255275 JMGUCZDPLOECCH-LBPRGKRZSA-N 381.230 0.669 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1cccs1 1263492078 NVZVKAZJWVTYPY-AWEZNQCLSA-N 377.470 0.902 30 10 GCEE C=CCC1(O)CN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1 1263931317 RJJULKBKBFXCHT-IBGZPJMESA-N 387.436 0.920 30 10 GCEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(F)(F)F)CC1 1286817592 OEQXWPZAVAUFLZ-UHFFFAOYSA-N 381.424 0.872 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCC(O)CC1 1300506121 NALHKAVTKAXLEM-UHFFFAOYSA-N 386.500 0.336 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1300700750 VOMXWFUWZRLYHF-CHAGWJKLSA-N 391.541 0.838 30 10 GCEE Cn1c(O)nc(N2CC[C@H](NC(=O)[C@@H](C#N)CCc3ccccc3)C2)cc1=O 1304148273 GLGYOAMKGKHJOD-CVEARBPZSA-N 381.436 0.953 30 10 GCEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1315005920 AEIXOPFVARPCED-MRXNPFEDSA-N 396.451 0.683 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)C1 1316533064 YUJUYIXGGYGWMI-KSSFIOAISA-N 392.435 0.473 30 10 GCEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318370305 BBWMIVJOSSAZSV-ZSNVJIKNSA-N 398.466 0.058 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cn1 1320233571 USRGSCTXFLWGFO-GFCCVEGCSA-N 393.407 0.205 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@@H]1c1ccccc1 1322961550 HLYDMGJOSQBAOO-ZDBRSUKYSA-N 382.420 0.993 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 1327356296 ZPKGEDYCOKJMQU-JLTOFOAXSA-N 398.467 0.413 30 10 GCEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCc4nccnc4C3)CCO2)c1 1328236521 SPJBSVPPBMDGKS-GOSISDBHSA-N 377.404 0.833 30 10 GCEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)CC2)cc1 1328290716 UHWBFFJOOLMMDK-KDURUIRLSA-N 398.463 0.219 30 10 GCEE C#CCN(C(=O)CCCC(=O)NC)C1CCN(C(=O)CCCC(=O)NC)CC1 1330299052 MQFFWZQQSMBJMK-UHFFFAOYSA-N 392.500 0.272 30 10 GCEE C#C[C@@H]1CCCCN1C(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1332685524 SZQDBDLZHUVZBF-GOSISDBHSA-N 398.511 0.509 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 1336120256 MHFRMZAWXDSZFV-UYAOXDASSA-N 395.507 0.823 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCCC)C1)C1CCN(C)CC1 1338231160 YKVMYAGWQZHYCF-INIZCTEOSA-N 376.501 0.307 30 10 GCEE C=C(C)Cn1c(N2CCN(c3nccnn3)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1341738772 DKHHTHWDXYTCNX-HNAYVOBHSA-N 399.503 0.277 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)O1)C1CCN(C)CC1 1342030041 NXUMEGKYBDLKPQ-KRWDZBQOSA-N 377.485 0.387 30 10 GCEE C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN(CC(=O)NCCOC)CC1 1342994294 YUQJYRAYKGGUNQ-HNNXBMFYSA-N 380.493 0.182 30 10 GCEE C=C(C)Cn1c(N2C[C@@H](C(=O)OC)O[C@H](C)C2)nnc1[C@@]1(O)CCSC1 1344026565 FEGIUBMUQUZJRX-IIYDPXPESA-N 382.486 0.945 30 10 GCEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1346342142 OXDHPHMUSRTCCL-LSDHHAIUSA-N 384.354 0.781 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 1346811057 CKBJOSOTQLNIEX-AWEZNQCLSA-N 393.421 0.168 30 10 GCEE N#Cc1cc(Br)ccc1CC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1347370561 LIFJUPIVGYTDRK-CYBMUJFWSA-N 378.226 0.573 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H]3CCOC3)CC2)c1 1350037934 IZADEMHYTOGLOI-ZDUSSCGKSA-N 381.429 0.670 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 1350260744 UAVCSLGNVBBVTD-KRWDZBQOSA-N 382.486 0.165 30 10 GCEE C#CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C 1351275616 YSOWWBVBJQTMPF-AUUYWEPGSA-N 379.457 0.658 30 10 GCEE C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCC([C@@H]2COC(=O)N2)CC1 1351713644 HZUINRXOTKZCEL-CVEARBPZSA-N 390.488 0.746 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CCN1C1CC1 1352318452 NTXUKTQDSFUJFK-BEFAXECRSA-N 399.470 0.967 30 10 GCEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1 1358019520 ZQMSVLBERYQHCX-UXHICEINSA-N 392.415 0.716 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCOC1=O 1358939828 GRQXXDGYDRMJSR-GOSISDBHSA-N 377.445 0.842 30 10 GCEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1359012871 BNQRUFBPOXWTLT-UHFFFAOYSA-N 385.457 0.301 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)C)C1 1359326916 MWLRNFNFJJMQSH-UXLLHSPISA-N 393.488 0.872 30 10 GCEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2)s1 1360877338 DJGKPJWDLRZKPV-AWEZNQCLSA-N 389.458 0.816 30 10 GCEE C[C@]1(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)N1 1448845288 MRMUFAHBJHESPS-MAUKXSAKSA-N 390.465 0.247 30 10 GCEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)CSCc2ccc(C#N)cc2)n1 1456311095 NVQNCZDHHIXMPV-UHFFFAOYSA-N 379.467 0.771 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 1460027834 PDKUVNIQWCTYCX-GFCCVEGCSA-N 376.413 0.545 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(CN2CCNC2=O)cc1 1469510544 XETCQKLNHWUECI-UHFFFAOYSA-N 380.470 0.612 30 10 GCEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1471537075 WYDDHASWICLHDO-QWHCGFSZSA-N 381.454 0.130 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncon2)C1 1471966739 FTRDKIZXWGESAP-LBPRGKRZSA-N 389.437 0.904 30 10 GCEE C=C(C)CN(CC)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1479958875 ORCHCOMCJRRTCV-MJQMVNBJSA-N 379.501 0.653 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncc(C)o1 1490799513 YBPRDXVFIDQVNI-FPCVCCKLSA-N 375.425 0.786 30 10 GCEE CC1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1494066285 GIFSSKNSQORCJX-INIZCTEOSA-N 389.504 0.877 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1507527244 SKEOQPYTNRWKOC-DYVFJYSZSA-N 377.470 0.291 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1507600008 AJUNTQSUBVVENX-HUUCEWRRSA-N 382.534 0.690 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1 1507600686 JYXJYHBCXMQYAR-OAHLLOKOSA-N 382.534 0.834 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1508020155 NXJLUNQOWNBGKQ-RHSMWYFYSA-N 382.486 0.510 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508088535 GRNXDZBKGWOAMI-ZIAGYGMSSA-N 390.444 0.115 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)COCc2ccnc(O)c2)[C@H](C)C1 1513234577 CRYAMUNDDZMJGE-DZUCGIPZSA-N 389.452 0.858 30 10 GCEE C=C(C)Cn1c(C[C@@H]2SCCNC2=O)nnc1N(C)[C@H]1CCOC[C@H]1OC 1515641083 SSNQXFBQESXBMK-ZNMIVQPWSA-N 395.529 0.868 30 10 GCEE COC[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1516670761 NXZADJWJFGXDOQ-NSHDSACASA-N 377.788 0.459 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](O)CN3C)n2Cc2cccs2)CC1 1518804597 UFLHLXYNSSDMDY-NVXWUHKLSA-N 386.525 0.881 30 10 GCEE C=CCOCc1nnc(N2C[C@@H](C(=O)OC)O[C@H](C)C2)n1C[C@H]1CCOC1 1519618751 TUGVGFBPWQDACH-KFWWJZLASA-N 380.445 0.784 30 10 GCEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1522168876 RQWBBMOIQRJEFE-QZWWFDLISA-N 379.457 0.075 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC(=O)N(CC)CC 1522269031 JUXZUHPPKZDNJJ-VQHPVUNQSA-N 377.485 0.921 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(N3CCN(CC)CC3)C2)cc1 1529084498 ONQDMSGMJQUWOX-UHFFFAOYSA-N 392.525 0.613 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1539260311 NZIJMFJZLJIXDG-MSOLQXFVSA-N 398.511 0.803 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCCC(=O)OC3CCCCC3)C2)c(=O)nc1O 1564640247 ATXRZGFLCQJGGA-UHFFFAOYSA-N 389.412 0.653 30 10 GCEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595381858 ZORGIIQXALDPAL-AWEZNQCLSA-N 384.444 0.631 30 10 GCEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1621859492 DWZQEMIWJWBOQF-UHFFFAOYSA-N 390.487 0.392 30 10 GCEE C#CC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1622922256 HXORITKVHYQTSO-CYVLTUHYSA-N 376.438 0.711 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1624032192 SFEPWKDDQWIUBU-SNVBAGLBSA-N 378.497 0.058 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CC(C#N)C1 1625216285 MBGPIKUEDCETEG-BFHYXJOUSA-N 383.470 0.639 30 10 GCEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1629537182 UQLIDPWHNBBLOV-MRXNPFEDSA-N 383.448 0.978 30 10 GCEE N#Cc1ncn(CCNC(=O)c2cc(Br)c3ncc(C=O)n3c2)n1 1634935431 JTVWLBKEDVXNNE-UHFFFAOYSA-N 388.185 0.802 30 10 GCEE C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)OCC 1638326433 QVAFRUQNBSQYNB-UKRRQHHQSA-N 378.429 0.506 30 10 GCEE CO[C@]1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCSC1 1638847508 ZCQXEUCPOWLLTP-WBMJQRKESA-N 383.495 0.863 30 10 GCEE Cn1ccnc1[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(C)(C)CO 1639166442 AHIMBOKNCVEFRB-YIQZXQSLSA-N 375.429 0.512 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)c1 1643878572 UXZXNPZVJGZNFN-QGZVFWFLSA-N 389.477 0.714 30 10 GCEE C=C(C)C[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1644461598 GHXWRXRHOCPDDY-BFUOFWGJSA-N 375.425 0.906 30 10 GCEE Cc1csc(CC2(O)CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)n1 1645273942 LEEJYALVZZFEHP-UHFFFAOYSA-N 389.437 0.182 30 10 GCEE C#C[C@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1662180801 CIAXXBKSKDKGGT-LLVKDONJSA-N 376.228 0.898 30 10 GCEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)C(=O)OC 1663037396 GJLIJGSROWLEOH-SECBINFHSA-N 381.790 0.742 30 10 GCEE C#CCN1CCC(NC(=O)Nc2nc3cc(S(N)(=O)=O)ccc3o2)CC1 1665362270 YWDNVXFKQCFKLW-UHFFFAOYSA-N 377.426 0.694 30 10 GCEE C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OCC)ccc2Br)C1 1666561761 SQVAGURWYYGZQT-UHFFFAOYSA-N 388.239 0.994 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3oc(C)nc23)CC1 1669993961 UQKOMQKAFLBMHJ-UHFFFAOYSA-N 377.426 0.753 30 10 GCEE C=CCn1cc(CNC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)nn1 1682167097 QLFOPKIMILZXBZ-AWEZNQCLSA-N 382.465 0.833 30 10 GCEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N(C)C)CC1 1689904079 JOFSNRMEMOCONA-UHFFFAOYSA-N 376.505 0.828 30 10 GCEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1696050599 BUUCEHKRLWBFJZ-FSPWUOQZSA-N 392.435 0.651 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1705476670 CQVWLFKVZQXIAZ-ZIAGYGMSSA-N 382.534 0.831 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1705700317 RUHOZVAGTRZIDM-ZQIUZPCESA-N 388.472 0.489 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705909456 XODAXYOKCOWLLK-LSDHHAIUSA-N 390.488 0.927 30 10 GCEE CNC(=O)[C@]1(C)CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711314490 KMBBATJJAPDJAM-LGHUBQEGSA-N 387.444 0.075 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@H]21 1722692304 ZEZRGYUHECJSGU-YNEHKIRRSA-N 382.490 0.179 30 10 GCEE COCCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1730690569 HBGPDKMOESQPTD-SFHVURJKSA-N 399.499 0.961 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)CNC(C)=O 1736522247 XJPIVSGKWYDOLU-NRKLIOEPSA-N 377.485 0.988 30 10 GCEE C#CCC1(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)CCCCC1 1739631802 AJHPAYCWJBWHEM-TVFCKZIOSA-N 375.513 0.988 30 10 GCEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NCCC)CC1 1740818309 GUYMEZDQOSPUOT-CQSZACIVSA-N 398.533 0.961 30 10 GCEE CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1741288094 UGFJIUOAZZFAID-GJZGRUSLSA-N 376.461 0.673 30 10 GCEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CC2)CC1 1748977934 FQIWLJCUFUYCEM-IBGZPJMESA-N 375.473 0.210 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)C1 1749692843 BZLJHUONNZGFST-LIRRHRJNSA-N 390.488 0.676 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1760162554 ARTFRPOFLSFVLB-GFCCVEGCSA-N 378.458 0.410 30 10 GCEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)ON1C(=O)c2ccccc2C1=O 1772781152 CDMOAQIUGGOXIY-LBPRGKRZSA-N 386.451 0.802 30 10 GCEE N#Cc1cc2c(cc1CC(=O)N1CCN(S(=O)(=O)C3CC3)CC1)OCO2 1851488822 RUOKOKUWWUUYNV-UHFFFAOYSA-N 377.422 0.466 30 10 GCEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)Cn3cccn3)C2=O)C1 1854289533 CUJHKKASSXNCOZ-INIZCTEOSA-N 380.408 0.431 30 10 GCEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3cnc(C)c(C)c3=O)C(=O)C2)C1 1856867942 DXNXOGGOQCYQPT-KRWDZBQOSA-N 387.484 0.181 30 10 GCEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cnn(C)c2)C1)[C@H]1CCN(C)C1=O 1857050992 UBGSFTIPXPCRAD-RDJZCZTQSA-N 387.484 0.447 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1=O 1857144814 WVWONVZYZOGSIH-MRXNPFEDSA-N 380.452 0.786 30 10 GCEE C=CCN(C[C@@H](CS(=O)(=O)N1CCOCC1)NC)C(=O)OC(C)(C)C 2029021533 RUQLCTBSUHHXNQ-AWEZNQCLSA-N 377.507 0.660 30 10 GCEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCC[C@H](C#N)C1 2118163901 UJVBCAGSIRBZTA-IJLUTSLNSA-N 382.408 0.998 30 10 GCEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)N[C@@H](CCS)C(=O)O 2123675973 FQWPSGFFYOXIMN-JOYOIKCWSA-N 384.458 0.961 30 10 GCEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)n1 2172778211 MTEDFZKTCHKKFF-BETUJISGSA-N 379.291 0.565 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 2180383837 FTXIVEGZJYWGQU-NWDGAFQWSA-N 382.417 0.375 30 10 GCEE C=C[C@]1(CO)COCCN1C(=O)[C@@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 2199849065 QOXFBHYYHBFAIB-CCKFTAQKSA-N 382.457 0.646 30 10 GCEE C[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CS(N)(=O)=O 2241017412 DDFYBEXIASNLKQ-QWHCGFSZSA-N 381.307 0.742 30 10 GCEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)[C@@H](O)C(F)(F)F 2265344327 DVJOLUBGHCJUCW-OPRDCNLKSA-N 382.335 0.786 30 10 GCEE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267467553 DOIFKDYYKZAOCE-NEPJUHHUSA-N 388.320 0.312 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CC(=O)N2)OC1(C)C 2267712743 YSKHCUDKEYJQDB-OAHLLOKOSA-N 386.304 0.604 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCOC[C@H]2O)OC1(C)C 2267718122 OJIONVXZFQHDHX-NWDGAFQWSA-N 389.304 0.475 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]43)co2)OC1(C)C 2281820735 GSCRWRGZPHDGAM-AAEUAGOBSA-N 381.259 0.838 30 10 GCEE Cc1nn(C)c(C(=O)N2CC(C[S@](C)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2281993299 ZBYCTUFGOLYIJL-SANMLTNESA-N 381.307 0.478 30 10 GCEE CN1CCO[C@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281998992 AUVPBSINMQCTGE-STQMWFEESA-N 379.291 0.597 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4C[C@H](C3)[C@H](O)[C@@H]4O)cs2)OC1(C)C 2282200585 PPSAJDPDDATZDV-AGCIHXOGSA-N 379.287 0.861 30 10 GCEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)c1cn[nH]c1 2282353347 GROYBOHPPBKLGX-JTQLQIEISA-N 381.267 0.482 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]3CS(C)(=O)=O)[nH]n2)OC1(C)C 2282578510 SHSYPAWWVSMUFA-NSHDSACASA-N 383.279 0.358 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](C)[S@](C)=O 2282598617 MEHMWHPVIPWRJS-QYOLQKOISA-N 383.323 0.915 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)[C@H](F)C1 2282834693 XGJNOESBUBGOGX-KGLIPLIRSA-N 385.266 0.998 30 10 GCEE C[C@H](O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282842262 VPGYZMBKKUVUCB-RYUDHWBXSA-N 385.295 0.111 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCOC(F)F 2282854672 USRUJEUYEFUOBE-UHFFFAOYSA-N 395.237 0.627 30 10 GCEE C#C[C@]1(O)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282861785 TVFMVZIZCSDLHO-KRWDZBQOSA-N 378.259 0.140 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COCC[C@H]3O)cc2)OC1(C)C 2282863982 AZZDDZYULPCWTN-LSDHHAIUSA-N 383.275 0.414 30 10 GCEE CN(c1nccn1C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282867630 BLBPPLLVKUEWBN-UHFFFAOYSA-N 378.263 0.939 30 10 GCEE Cc1nc(S(=O)(=O)NCCOC(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873957 SMSUMINERYMIEL-UHFFFAOYSA-N 387.311 0.731 30 10 GCEE COC[C@H](NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1)C(N)=O 2283097086 GWCAMPCNRZTGJE-LBPRGKRZSA-N 382.653 0.869 30 10 GCEE C#C[C@]1(O)CCCN(C(=O)CCOCCOCCNC(=O)OC(C)(C)C)C1 2283433467 SCJDMQMIKQWMIH-IBGZPJMESA-N 384.473 0.921 30 10 GCEE C[C@H](NC(N)=O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284015564 PBGGQFKAPZMEBM-JTQLQIEISA-N 379.291 0.989 30 10 GCEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](C)C(=O)O 2284409402 IXQVIMRRQMWRLK-NXEZZACHSA-N 387.267 0.107 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N[C@@H](CCC(N)=O)C(=O)O)OC1(C)C 2284429434 FHUUZKGCANBBBO-JTQLQIEISA-N 382.247 0.496 30 10 GCEE CN(C)CC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284431938 QXKDCUQIEJOKLD-NSHDSACASA-N 383.279 0.577 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCSC[C@@H]2C(=O)O)n1 2284456486 QGJPGXDUWTZDHJ-LLVKDONJSA-N 381.263 0.362 30 10 GCEE Cn1cc(C#C[C@H](N)[C@@]2(O)CSC3(CN(C(=O)OC(C)(C)C)C3)C2)cn1 2340480771 SVZWNNGPCOPUKY-KSSFIOAISA-N 378.498 0.956 30 10 GCEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CF)CNC(=O)OC(C)(C)C 2342054047 MYKIXJRPNCBJLN-CXAGYDPISA-N 392.493 0.770 30 10 GCEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCS(=O)(=O)C1 2342579472 WYLNKBDFMCISSA-DYVFJYSZSA-N 390.502 0.902 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N(CCCO)CCC(=O)O)OC1(C)C 2368598541 DANGELXBDFSINM-UHFFFAOYSA-N 384.263 0.742 30 10 GCEE CC1(C)OB(c2csc(CN3C(=O)[C@@H]4CCCN4S3(=O)=O)n2)OC1(C)C 2368908459 LOHNAKVIRNXYPQ-JTQLQIEISA-N 399.303 0.494 30 10 GCEE Cn1nc(C(=O)NCC[C@H](O)CCO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2379867251 SMBMTGJYQJLFGK-JTQLQIEISA-N 387.673 0.236 30 10 GCEE CC(C)(C)OC(=O)N1CC([C@@H](O)C#Cc2ccnn2C2CC2)(S(C)(=O)=O)C1 2379895110 FUSWVEKBGHARNH-HNNXBMFYSA-N 395.481 0.965 30 10 GCEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 33833045 WNKCCKMAFDLLDA-CMYVXUCTSA-N 394.464 0.802 30 10 GCEE in-vitro CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 47011397 PEQLNDFKUWZKKM-MDZDMXLPSA-N 395.463 0.559 30 10 GCEE CCCS(=O)(=O)N1CCC(N/C(=N\C)NCc2c(C)nn(C)c2C)CC1 124683020 SXTMMDKLVYXUIM-UHFFFAOYSA-N 384.550 0.906 30 10 GCEE C/N=C(/N[C@@H]1C[C@@](C)(OC)C1(C)C)N1CCN(CC(=O)N2CCOCC2)CC1 262448696 VQBAXFORAHIIGA-OXQOHEQNSA-N 395.548 0.242 30 10 GCEE C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 265368275 XHLSYECRLXNCCM-AWEZNQCLSA-N 381.454 0.730 30 10 GCEE CC[C@H](CO)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 270470108 HEYYHLQDVPLXAK-QGZVFWFLSA-N 379.482 0.388 30 10 GCEE C/N=C(/O)[C@@H]1CCCN1C(=O)C/N=C(/O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 329159710 DWUQGJYOTCGOCE-XQQFMLRXSA-N 378.429 0.695 30 10 GCEE CN(CC(=O)NC(C)(C)C)C(O)=Nc1cnn(CC(=O)N2CCOCC2)c1 331070467 SNFUFOXMHLWVMG-UHFFFAOYSA-N 380.449 0.134 30 10 GCEE COc1cc(C#N)ccc1OCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 365783242 UHKLHZHSXYZFRG-UHFFFAOYSA-N 396.469 0.286 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 367252237 PVBLZFYZQWSYHX-CVEARBPZSA-N 386.518 0.864 30 10 GCEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCCOC2)C1 376039378 PXTRNXNCUUQYPW-QGZVFWFLSA-N 379.438 0.133 30 10 GCEE C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2NC1=O 377672242 LYGLSPGFZJHSSW-RISCZKNCSA-N 383.408 0.543 30 10 GCEE CN(CCC1CCOCC1)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410723922 UGUOLVNEAZYLBN-UHFFFAOYSA-N 385.468 0.877 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 425794775 CPJNOPMUDQVWKM-JSGCOSHPSA-N 381.454 0.542 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 504468564 HHMNFVKOTTXUGU-UHFFFAOYSA-N 375.469 0.897 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CN2CCC1CC2 531963444 SQGCYCDYIXAJHM-SUMWQHHRSA-N 376.482 0.778 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(Cl)c2)CC1 559342536 BKFAOLOMLCEPGZ-UHFFFAOYSA-N 378.860 0.403 30 10 GCEE C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CN1C1CC1 564242260 GHTJHWOFQAXRHC-GOEBONIOSA-N 382.468 0.343 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2(C)C)cc1 568252251 MDROYGRLZOLJFM-SMDDNHRTSA-N 387.483 0.411 30 10 GCEE Cc1cc(S(=O)(=O)N2CCN([C@H]3CCNC(=O)CC3)CC2)ccc1C#N 571393910 JHEDAEWVJPEQFZ-MRXNPFEDSA-N 376.482 0.842 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1 571417505 MNJQOQRKFGUNQE-CYBMUJFWSA-N 387.483 0.536 30 10 GCEE CC(C)N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 578905664 FLMNCHJPDRFOFC-UHFFFAOYSA-N 386.499 0.203 30 10 GCEE COCCN(CCC#N)S(=O)(=O)Nc1cc2c(cc1C(=O)O)OCCO2 584533372 YBCDRQMSKVWWHD-UHFFFAOYSA-N 385.398 0.675 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1c1nncn1C 593570219 VBAYMQMIBMAAJU-CYBMUJFWSA-N 375.410 0.999 30 10 GCEE 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384.263 0.343 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cc(=O)n(C)[nH]1 2282585424 LRRYBULBRNAYMA-UHFFFAOYSA-N 378.263 0.708 30 10 GCEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCS(C)(=O)=O 2282603153 BVVDZCPQFVSKLF-UHFFFAOYSA-N 385.295 0.319 30 10 GCEE CN1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C(=O)N1 2282604448 UFYTVWDMQLWXEV-LLVKDONJSA-N 380.641 0.109 30 10 GCEE CN1C(=O)NCC12CN(C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2282686185 PEHHRLSKTQFQIW-UHFFFAOYSA-N 377.275 0.897 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1 2282851331 AIPVYQRUVGGRQC-GFCCVEGCSA-N 384.311 0.092 30 10 GCEE CC(C)[C@@H](O)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851611 DWYBJAJMYLPBJY-ZDUSSCGKSA-N 387.311 0.405 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@H](O)C1 2282862806 ITOFLSWONOCGJX-RYUDHWBXSA-N 385.295 0.159 30 10 GCEE CN(CCn1cnnc1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882019 GISHHLOICUBKCS-UHFFFAOYSA-N 398.319 0.960 30 10 GCEE CC1(C)OB(c2cc(Cl)c(C(=O)N3CC(O)(CN)C3)cc2F)OC1(C)C 2282970727 SNDCEBCWYRVGMG-UHFFFAOYSA-N 384.644 0.924 30 10 GCEE CC1(C)OB(C#CCNC(=O)Cc2csc(NS(C)(=O)=O)n2)OC1(C)C 2283941958 BVFHZRMEKUQVRL-UHFFFAOYSA-N 399.303 0.808 30 10 GCEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C(C)(CO)CO 2284119468 QHTZIKQNNUWSHZ-LLVKDONJSA-N 384.307 0.953 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@](C)(C(=O)O)C(C)(C)O)OC1(C)C 2284375123 AVAZXPLTVCOKGS-MRXNPFEDSA-N 384.263 0.786 30 10 GCEE C=C(CS(=O)(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284411506 LFIDKCBLMOETQO-GFCCVEGCSA-N 383.235 0.868 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](O)C(=O)O 2284416613 ABBVZIJWKLEGMA-GFCCVEGCSA-N 385.247 0.018 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](O)CC[C@@H]2C(=O)O)OC1(C)C 2284453757 KPCHTBCFUNHTDR-VHSXEESVSA-N 382.247 0.492 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@H]3C[C@@]3(CN)C2)OC1(C)C 2288265735 AIDWELRPEDLFHD-FZKQIMNGSA-N 378.303 0.955 30 10 GCEE COc1ccc(C#C[C@H](N)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)cn1 2295693775 JOHNLNXDMKEBOW-GOEBONIOSA-N 395.481 0.707 30 10 GCEE CC(C)(C)OC(=O)N1CC(N2CC([C@H](N)C#CC3(S(C)(=O)=O)CC3)C2)C1 2342037129 KQLMMJVDFHLGIL-OAHLLOKOSA-N 383.514 0.445 30 10 GCEE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362497877 YKOPVCRRRHHVSX-MWLCHTKSSA-N 382.247 0.191 30 10 GCEE CC(=O)NCCNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 4598432 GVTZTAAJYHURLK-KBPBESRZSA-N 396.494 0.042 30 10 GCEE C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC3(CC1)C(=O)NCCN3C)C2 67649146 GIYSZTFVLAIMDG-CQSZACIVSA-N 387.484 0.521 30 10 GCEE COc1cc([C@@H]2[C@@H](C#N)C(=O)Nc3cc(=O)nc(OC)n32)cc(OC)c1OC 101439668 WBPOGMQAGJXKIW-MEBBXXQBSA-N 386.364 0.959 30 10 GCEE C[C@H]1CN(c2ccc(C/N=C(/N)NCCCN3CCOCC3)cn2)C[C@@H](C)O1 303910013 YNWSGQYOSCRFBP-CALCHBBNSA-N 390.532 0.822 30 10 GCEE CCS(=O)(=O)N1CCN(/C(O)=N/[C@H]2CCc3nc(C(C)C)nn3C2)CC1 329460544 RYGYZFPPLSBFHS-ZDUSSCGKSA-N 384.506 0.598 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 376952192 ZSQDNOZDOLKROO-RBSFLKMASA-N 387.436 0.075 30 10 GCEE CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 407968685 UQLURFXULNLUGC-UHFFFAOYSA-N 392.485 0.209 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 425895672 VVVPAXISPBCBQE-UAGQMJEPSA-N 389.427 0.750 30 10 GCEE COc1cc(OC)c(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)c(OC)c1 444499315 QJMTUBCFSXZGOK-UHFFFAOYSA-N 387.396 1.077 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 466040256 ULPIMUBKMUCZAI-MRXNPFEDSA-N 389.504 0.018 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)n1 504397979 AEBIFZNDAYPZJI-UHFFFAOYSA-N 396.382 0.655 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)n1 513153651 IJNLWWQZYYHTDU-UHFFFAOYSA-N 393.382 0.867 30 10 GCEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)cc1 515657956 LTAPJHZDDWJQPD-BLLLJJGKSA-N 391.449 0.948 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 520631940 DDZZGKITABFZNJ-QWHCGFSZSA-N 392.485 0.534 30 10 GCEE CO[C@](C)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 527984900 XNCGCCDGXXOFSQ-LJQANCHMSA-N 383.408 0.949 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@]1(CO)COCC2(CCC2)N1C 528480646 GZHJYMRKJYPCLQ-SFHVURJKSA-N 379.482 0.761 30 10 GCEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2F)no1 541801469 WNMUKWOUJNPBOG-LBPRGKRZSA-N 382.373 0.989 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN4CCOC[C@@H]4C3)C2=O)cc1 543687501 PCIIMXWAQQEAHN-ZWKOTPCHSA-N 383.452 0.780 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)cn1 545893078 BXNFESDTYXMGKJ-HNNXBMFYSA-N 384.396 0.389 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCO2)CC1 549488433 WGDBFLUWZOBVRX-INIZCTEOSA-N 399.499 0.876 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NCC3(O)CCS(=O)(=O)CC3)cc2C1=O 552766959 NRMNPKGOUDSGLB-UHFFFAOYSA-N 392.433 0.138 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)n1 565627256 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C#CCO[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 1963740813 ZHBMCFLWJAWXLE-LSDHHAIUSA-N 379.457 0.705 30 10 GCEE CC1(C)OB(c2cnc(NC(=O)C3(S(C)(=O)=O)CCC3)nc2)OC1(C)C 2166701519 HMHNHOWYFJRUNI-UHFFFAOYSA-N 381.263 0.682 30 10 GCEE C=CCN(CCC(=O)N1CCN([C@H](C)C(=O)O)C(=O)C1)C(=O)OC(C)(C)C 2180555597 UNDHTCWNZZNOFY-CYBMUJFWSA-N 383.445 0.944 30 10 GCEE Cn1nc(C(=O)N2CCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255647759 CYWSAHHMCDSUOR-UHFFFAOYSA-N 397.668 0.962 30 10 GCEE C=C(CS(=O)(=O)NC1[C@@H]2CS(=O)(=O)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2255952272 QNWMYYGQOCBJTQ-GHMZBOCLSA-N 377.293 0.136 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CC(C#N)C1 2264242903 HFYJGNUMUCRKQB-NSHDSACASA-N 380.417 0.921 30 10 GCEE CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)C[C@H]1C#N 2265335067 QWSCLNIXRYLEJF-GMTAPVOTSA-N 380.367 0.469 30 10 GCEE C=C(CS(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2267718958 AMOVPGRXOIRICN-CYBMUJFWSA-N 393.336 0.918 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3C[C@H](O)[C@H](O)C[C@H]3C2)C1 2281229167 VNFCOVGJYODZKT-ULNHCXFQSA-N 378.469 0.883 30 10 GCEE CN(CCS(N)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281790204 ITKRJHXNAWZVGA-UHFFFAOYSA-N 386.254 0.485 30 10 GCEE C[C@H]1CNC[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)O1 2282007203 AJDQDRZOXCSUAJ-RYUDHWBXSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NCCCOCCN)c2)OC1(C)C 2282339258 SQMBAMFLCQLMQU-UHFFFAOYSA-N 384.307 0.630 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H](C(N)=O)C2CC2)OC1(C)C 2282353416 VDKGKMDKIOPDRX-AWEZNQCLSA-N 380.275 0.528 30 10 GCEE C=C(CS(=O)(=O)Nc1cnn(CC(=O)NC)c1)B1OC(C)(C)C(C)(C)O1 2282497584 RQJSZLLCIXOJJD-UHFFFAOYSA-N 384.267 0.558 30 10 GCEE Cc1nc(C(=O)NCC[C@@H]2COC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282514297 BCOMCWGJKLIMAE-NEPJUHHUSA-N 382.291 0.878 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2282516834 LMYUKNOYCYMEBY-PWSUYJOCSA-N 398.315 0.701 30 10 GCEE 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0.867 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2ccnn2C)c1 846617662 QMHSUEGKYJBLSY-QGZVFWFLSA-N 388.449 0.545 30 10 GCEE C#CCN(C(=O)C1CCN(C2CCN(CC)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 847379663 UFHBHJGHSQQTQU-LJQANCHMSA-N 395.569 0.832 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)C1CCOCC1 850688174 QWSNHTXGNJYZJJ-HNNXBMFYSA-N 390.440 0.664 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 856253516 BLPBBRMGRAIXTH-QGZVFWFLSA-N 391.493 0.269 30 10 GCEE C#Cc1cccc(NC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)c1 861510084 MVKYVDGAPRKDDS-SJORKVTESA-N 382.420 0.390 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(CC3CC3)C2)c1 882855224 DQYRRZLLADRNPG-HNNXBMFYSA-N 377.466 0.892 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774838 FVXUKPYEONRYSU-AWEZNQCLSA-N 385.467 0.318 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 927643516 JGRIJXRPUONNBD-DOTOQJQBSA-N 399.499 0.822 30 10 GCEE 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MYLWXBBNXVCIJJ-CQSZACIVSA-N 384.479 0.351 30 10 GCEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)N(C)C 1478684089 SWKHNSYCCYBQBK-UHFFFAOYSA-N 383.474 0.112 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1507616939 PVTCYTDEHIVUEI-ILXRZTDVSA-N 399.492 0.819 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1507617293 SIXBVUVUWBSRFI-INIZCTEOSA-N 379.530 0.982 30 10 GCEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1507622973 NECCESQHMQOEFL-LSDHHAIUSA-N 398.529 0.864 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1507652673 ILTLDYVSBDSVCW-CVEARBPZSA-N 376.482 0.822 30 10 GCEE C=CCNC(=O)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1508097926 MKLODBDHDKNSBK-BEFAXECRSA-N 393.488 0.705 30 10 GCEE C#CCN(c1nnc([C@H](O)C2CC2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1518214601 AUYJOCDDKYDAKS-ARFHVFGLSA-N 394.497 0.527 30 10 GCEE C#CCN1CCCC[C@@H]1c1nnc(N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1C 1519943484 JYURYDUYBLYLSH-QLFBSQMISA-N 380.518 0.336 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)N(C)C 1538976337 KPGYWBYRXJJUQT-YOEHRIQHSA-N 399.517 0.280 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1539557476 VCUMOIVGFDSEST-KBXCAEBGSA-N 393.513 0.651 30 10 GCEE C#Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)nc1 1539636560 VARCQBDGMMQFQR-TXKKKEFDSA-N 376.434 0.692 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCOC2)C1 1540891071 OHZZRCQAHGIVOX-QWQRMKEZSA-N 377.445 0.162 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC)C1 1540892953 UOLWHIGUNSIYMN-LSDHHAIUSA-N 384.502 0.998 30 10 GCEE O=C(N[C@@H]1CCN(O)C1=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1556749543 JVWCAQDFGAOGPS-SECBINFHSA-N 375.353 0.125 30 10 GCEE N#Cc1ccccc1OCc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1557689134 GZUUCUIDQMFPEO-CALCHBBNSA-N 392.415 0.796 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1573199837 RZJAFCRYBWJHMK-YJNKXOJESA-N 386.514 0.802 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)F)C[C@]2(C)C1 1573742888 YYQWWWVNWDFZSC-SDFXEEBMSA-N 385.411 0.266 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(C)cn1 1588561047 ZLSDVDFHJKQCFP-UHFFFAOYSA-N 385.472 0.805 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(C)CCOC)CC1 1588800541 JSNRZYAHKUBNOW-UHFFFAOYSA-N 383.500 0.674 30 10 GCEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593907974 DMJLBYXMKSZAME-OLZOCXBDSA-N 378.864 0.868 30 10 GCEE CCn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C(F)(F)F)n1 1611164984 JUGDNYMYNDVGEI-ZANVPECISA-N 376.360 0.932 30 10 GCEE CN1C(=O)C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1617831559 LVOCRLHBSHEXGQ-AKGDUJLNSA-N 390.440 0.647 30 10 GCEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OC 1622571469 GLDYUIFSGXBYRQ-GFCCVEGCSA-N 376.456 0.661 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(OC[C@@H]2CCOC2)CC1 1623735525 NAXKVEGIGVOCBC-IWHJNQCMSA-N 377.441 0.947 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](c3ncon3)C2)c1 1625052107 YLONINFBCPLGNL-CYBMUJFWSA-N 380.357 0.720 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)C1=O 1628777575 CBDBBZVGFXYUTP-UHFFFAOYSA-N 398.375 0.122 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)NCc1cccc(S(=O)(=O)NCC)c1 1633523169 ZIYHGXSFCJGODI-UHFFFAOYSA-N 389.499 0.385 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)CCC2=O)s1 1633779007 ABVUHVCEZAWYKK-UHFFFAOYSA-N 385.467 0.020 30 10 GCEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccccc1C#N 1644109700 WTPAUACNGRXVIH-CQSZACIVSA-N 379.438 0.549 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)cc1 1648593371 RPSQTSHPMRUFAM-QGZVFWFLSA-N 391.453 0.021 30 10 GCEE N#CC1(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)CCC1 1652585187 KTSDTPUFLFCZFU-GFCCVEGCSA-N 392.485 0.530 30 10 GCEE Cc1nc(=NC(=O)c2ccc(OCC(N)=O)cc2)n(-c2ccc(C#N)cc2)[nH]1 1654343806 HTRKIOQEDXIYKB-UHFFFAOYSA-N 376.376 0.986 30 10 GCEE CCOC(=O)C1=C(CN(CC#N)CCC(=O)OC)NC(=O)N[C@@H]1c1ccco1 1659843909 JSXSFSQQGRCQQR-MRXNPFEDSA-N 390.396 0.839 30 10 GCEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1C#N 1685107033 OAKXFTIGPUZCMJ-UHFFFAOYSA-N 379.486 0.937 30 10 GCEE COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1698067542 XGNQBTYDZIWNIF-HNNXBMFYSA-N 396.455 0.469 30 10 GCEE C#CCCCn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705525758 UHEZNGXVHUVAPG-MRXNPFEDSA-N 381.502 0.631 30 10 GCEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1711269158 DHHAIGGGTKOFKC-HNNXBMFYSA-N 375.396 0.722 30 10 GCEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C#N 1711423725 KVMKLAQISWFIFF-NSHDSACASA-N 397.530 0.779 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@@H]1O 1719276872 JMYHDWYOUXDTCZ-KRXQYRFLSA-N 393.440 0.169 30 10 GCEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](Cn1cccn1)N(C)C 1719881740 OEDPZVGAUUNDPB-NCOADZHNSA-N 375.473 0.264 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1722278905 QTENCAMVMLTFAW-VBKZILBWSA-N 398.467 0.930 30 10 GCEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1722308438 NGOQNGBQRLUYFL-UONOGXRCSA-N 397.501 0.691 30 10 GCEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722334706 IIDVSDQNOPKTCC-UHFFFAOYSA-N 395.511 0.888 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC2)CC1 1722447713 MVKLZWBGLQWNLC-NVXWUHKLSA-N 387.484 0.784 30 10 GCEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1722462929 QERSFJPZZSQZIS-UHFFFAOYSA-N 377.514 0.892 30 10 GCEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722524959 BJDAUNUHXIFLFF-AWEZNQCLSA-N 381.502 0.990 30 10 GCEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C 1722742762 GHLHAHOCVXWWHF-CQSZACIVSA-N 392.529 0.987 30 10 GCEE C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCCCOC 1740367879 CXWSVPROJRNUOX-BDXSIMOUSA-N 377.485 0.385 30 10 GCEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1)C1CC1 1740910749 RWZHHMXITAMJGC-UKRRQHHQSA-N 382.486 0.750 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1748857801 DXIAJFFIDSPSQD-INIZCTEOSA-N 391.497 0.484 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749680163 FIEPSKGZNPGCOS-RDTXWAMCSA-N 379.461 0.501 30 10 GCEE CC(C)(C)[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1757703879 UZCRITKWSXXVKI-OWTLIXCDSA-N 381.502 0.574 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCCCC1=O 1757792801 VFTLSOCWFOPTIG-ZACQAIPSSA-N 375.469 0.677 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC 1760104549 AKAQAVGSZWZLPB-CYBMUJFWSA-N 379.428 0.515 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1760224665 UJSNGOPRUHQKGL-UHFFFAOYSA-N 381.440 0.516 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOCCOC)CC1 1760262545 QBHLIKGEVGHMKU-UHFFFAOYSA-N 384.484 0.682 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760270745 YHSBZVYRXFUUFX-IRXDYDNUSA-N 389.500 0.858 30 10 GCEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760441944 AFXCGVMOMSVICX-UHFFFAOYSA-N 390.488 0.662 30 10 GCEE C#CCCN1CCN(C(=O)c2ccc(N3C(=O)CS(=O)CC3=O)cc2)CC1 1853378887 KFEOXAZFVAHVTA-UHFFFAOYSA-N 387.461 0.090 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCN(C3C(=O)CC(C)(C)CC3=O)CC2=O)CC1=O 1853623208 IRLAFHQZHMHJGK-ZDUSSCGKSA-N 389.452 0.019 30 10 GCEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)C1 1855457335 HSGFZIVPBDWXSO-HNNXBMFYSA-N 386.456 0.537 30 10 GCEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(N(C)C)ccn2)C1=O 1856728546 KLJAMJVKZFEXEH-ROUUACIJSA-N 399.495 0.998 30 10 GCEE CCOCC(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857397178 BTRSLCAICGMVNL-CQSZACIVSA-N 386.456 0.270 30 10 GCEE C#CCN(CC(F)(F)F)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1890624543 VTSDPBOVJOXMPP-NHYWBVRUSA-N 380.363 0.743 30 10 GCEE N#Cc1cccnc1OCC1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1892071225 HTXCGWIFFZJAGK-HNNXBMFYSA-N 399.494 0.561 30 10 GCEE C=CCNC(=O)NC(=O)Cn1ccnc1CCN1C(=O)c2ccccc2C1=O 1969179114 RMAXRBCSMGEKMY-UHFFFAOYSA-N 381.392 0.734 30 10 GCEE N#CCCNC(=O)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019046868 IRKPXIFCBVRJBR-LOKFHWFJSA-N 395.437 0.535 30 10 GCEE CO[C@@H]1CN(S(=O)(=O)N2CC(C#N)C2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2118168127 DGEXISXSZSSKBL-BBRMVZONSA-N 388.490 0.691 30 10 GCEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CC2(C#N)CCOCC2)COC1 2118169341 WUFUBQSWIDTOBH-UHFFFAOYSA-N 389.474 0.520 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)N1CCC[C@H](C#N)C1 2124671336 OYUOSDGRRPFHRV-HZSPNIEDSA-N 388.490 0.427 30 10 GCEE CC(C)(C#CC(=O)N1CC(O)(C(F)(F)C(=O)O)C1)NC(=O)OC(C)(C)C 2138034815 NYKGIBWROPAMAC-UHFFFAOYSA-N 376.356 0.586 30 10 GCEE Cc1cc(C#N)nc(N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)n1 2174812234 IUDIKCHYDYPULY-KBPBESRZSA-N 393.469 0.879 30 10 GCEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)[C@H](O)C(=O)C1=CCS(=O)(=O)CC1 2224357793 UQJAPHTVTYYGBM-RHSMWYFYSA-N 389.470 0.687 30 10 GCEE C[C@@]1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2249443632 CAIWYIIHGAFTID-PBHICJAKSA-N 395.437 0.931 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS(=O)CC2)OC1(C)C 2255750770 PGKRQKRNDPLAIF-UHFFFAOYSA-N 391.345 0.800 30 10 GCEE Cc1nn[nH]c1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267471676 JMTZBFAQUHLOPH-UHFFFAOYSA-N 384.292 0.952 30 10 GCEE CN([C@@H]1CCNC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704695 ACAWHEZOHZXIPM-LLVKDONJSA-N 387.336 0.566 30 10 GCEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CSCC(=O)O)C(=O)O 2272860356 WBJCRVRYXFHPTB-WDEREUQCSA-N 388.442 0.680 30 10 GCEE CC(C)(C)OC(=O)NCCCN(CCO)CC(=O)N(CCC#N)CCC#N 2281108928 UWGRRQPYXBEDTR-UHFFFAOYSA-N 381.477 0.851 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](OC)[C@H](OC)[C@@H]2CO)C1 2281278956 GDOJUUZZFJAYEB-LVJNFOORSA-N 382.457 0.526 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@H]2COC3(CCC3)[C@@H]2O)OC1(C)C 2281801493 DZOPBQMHEOAJEL-WCQYABFASA-N 380.275 0.855 30 10 GCEE CC1(C)OB(c2csc(C(=O)N3CCC[C@](O)(C(N)=O)C3)c2)OC1(C)C 2281978984 ATCUNSQKZJJEFP-QGZVFWFLSA-N 380.275 0.500 30 10 GCEE CC1(C)OB(c2c[nH]nc2C(=O)NC2CC3(C2)CS(=O)(=O)C3)OC1(C)C 2281984855 IKPYNKPWYZVNKR-UHFFFAOYSA-N 381.263 0.016 30 10 GCEE 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C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N(C)C 1705500642 RCMMSGUHYCTXMJ-AWEZNQCLSA-N 393.517 0.489 30 10 GCEE C#CCN(c1nnc(C2CC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705566172 LVVFQRWKCNIIKR-MRXNPFEDSA-N 388.497 0.987 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1705735621 UWRKMWUYCKUTJJ-AWEZNQCLSA-N 392.460 0.710 30 10 GCEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1)C1CC1 1705849163 FBKKIDROAYXQCQ-BLLLJJGKSA-N 385.490 0.195 30 10 GCEE COCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1712460440 LXJSIRQHFRFGDX-UHFFFAOYSA-N 378.458 0.449 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722439846 RPIMHGKPDXAYAC-NRFANRHFSA-N 393.495 0.497 30 10 GCEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1722617028 GCCRCZCLJLWLCI-HZPDHXFCSA-N 395.529 0.667 30 10 GCEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2c(cnn2C)c1 1736577799 LLBKIGMGKCRIDU-YYQUZTFQSA-N 381.436 0.868 30 10 GCEE 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0.986 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2CN3)OC1(C)C 2282831194 GNHMDNUCRHDLEB-QJPTWQEYSA-N 399.347 0.612 30 10 GCEE CC[C@H](C[C@H](C)O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282832462 PKKDMJONFKCCEP-NWDGAFQWSA-N 387.311 0.547 30 10 GCEE C#C[C@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282838699 STDXJCAQRJQKMG-LBPRGKRZSA-N 380.279 0.148 30 10 GCEE CNC(=O)[C@@H](C)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282844503 DXVAMUVGPNKLHE-GFCCVEGCSA-N 382.291 0.540 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C)(C)[C@@H]1CO 2282851225 ZCXKCAHVAJPRTQ-LBPRGKRZSA-N 385.295 0.111 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2CC[C@H]2C1 2282867547 ANIPABBCKAVBFD-RYUDHWBXSA-N 382.295 0.535 30 10 GCEE CC1(C)OB(c2cc(N[C@@H]3COC[C@@H]3S(C)(=O)=O)ccc2N)OC1(C)C 2283011447 GFPYAAPYKCKHFU-CABCVRRESA-N 382.291 0.792 30 10 GCEE C=CC[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399342 JIBGSNMWBBSCOU-NSHDSACASA-N 385.251 0.027 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N[C@H](CCC(N)=O)C(=O)O)OC1(C)C 2284448692 FHUUZKGCANBBBO-SNVBAGLBSA-N 382.247 0.496 30 10 GCEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CN)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288250435 RUTVKYXKHGMCAK-BTDLBPIBSA-N 380.685 0.794 30 10 GCEE C#CC(CO)(CO)NC(=O)[C@@H]1C[C@@H]2COCC[C@H]2N(C(=O)OC(C)(C)C)C1 2290368951 SSWDWJDXGSXSGO-RBSFLKMASA-N 382.457 0.121 30 10 GCEE CC(C)(C#C[C@H](N)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2301495178 UHIAWOKORXNKJE-FCEWJHQRSA-N 394.493 0.960 30 10 GCEE O=C1CSC(=O)N1CCNC(=S)NN=Cc1ccc2c(c1)OCCO2 2330472257 KRVISYNULWCWDR-UHFFFAOYSA-N 380.451 0.951 30 10 GCEE C[C@@H](C#CC(=O)N1CCS(=O)(=O)[C@H](CC(=O)O)C1)NC(=O)OC(C)(C)C 2341154175 ILFVXAKFEKFBIA-NWDGAFQWSA-N 388.442 0.003 30 10 GCEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnsc2C#CCN)C1 2362469719 XAAGGXVHGGZFGR-QGZVFWFLSA-N 383.521 0.999 30 10 GCEE COc1[nH]c(=N[C@@H](C)C2CS(=O)(=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346781 ZLUWSSJIHPHMOD-NSHDSACASA-N 382.291 0.656 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 52655447 OMUPEDHWYQPGNA-UHFFFAOYSA-N 384.392 0.567 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3cccs3)C2)c1=O 128508109 QVKLCRIFHXVMII-CQSZACIVSA-N 390.465 0.636 30 10 GCEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O 215104315 XCNQJYBQNRLOFL-NNIGNNQHSA-N 388.468 0.147 30 10 GCEE C=CCO[C@@H](C)C(=O)OCC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 247973896 VMNTUYMGIKJAOW-ZDUSSCGKSA-N 384.454 0.486 30 10 GCEE C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@H]1CCN(c2c(F)cccc2F)C1 261720733 IIWGYBKPZKZWCB-LSDHHAIUSA-N 378.471 0.708 30 10 GCEE N#CCCN(C(=O)CCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 279376688 FDZUUELZGWWGOM-FQEVSTJZSA-N 397.435 0.914 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN(CC(F)F)CC3)C2)nc1 298980792 GILPGOQXJHISGS-CQSZACIVSA-N 393.394 0.342 30 10 GCEE C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)CCCS(=O)(=O)N2CCCO2)C1 349473695 ZBTYWSTXEFNOJW-KGLIPLIRSA-N 379.504 0.735 30 10 GCEE C[C@H]1C[C@@H](C)CN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]1(C#N)CCOC1 349476366 PAVAQLMQGONSHB-QLFBSQMISA-N 393.531 0.381 30 10 GCEE N#C[C@@H]1CN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1C1CC1 369222146 ZRHRXXYBJHQGOK-OAHLLOKOSA-N 377.470 0.258 30 10 GCEE N#Cc1ccc(OC[C@H](O)CN2CC(S(=O)(=O)NC3CCCC3)C2)cc1 375389912 GLENXBYEFQCRFD-MRXNPFEDSA-N 379.482 0.844 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 378632240 KXIFWVYUZZAIQT-WBVHZDCISA-N 380.466 0.932 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)cc1 410227153 JJJSVHVGJXCSEX-UHFFFAOYSA-N 376.438 0.325 30 10 GCEE COC[C@H]1CCCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 411012866 NWABLXIUFILYEM-INIZCTEOSA-N 385.468 0.877 30 10 GCEE Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)N4)CC2)c1C#N 423635945 POIRTGZUWWEQNU-OKILXGFUSA-N 388.497 0.325 30 10 GCEE CN1CC[C@@H](CNC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1=O 425906696 WGPFXYSGLOFGNJ-MRXNPFEDSA-N 398.463 0.913 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 439598637 YRIUMGQTQKKLBZ-MRXNPFEDSA-N 393.451 1.081 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 459890720 ZDWAYOHDCAJJFK-GOSISDBHSA-N 396.495 0.689 30 10 GCEE N#Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 463439092 YYTCFYKWFIYVOH-UHFFFAOYSA-N 381.414 0.165 30 10 GCEE Cn1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 498539708 QODNLUSKXAMSAH-UHFFFAOYSA-N 388.453 0.508 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCCc3ccc4c(c3)OCO4)C2)c(=O)nc1O 527650281 VFGKJVHHRZLUJB-UHFFFAOYSA-N 383.364 0.358 30 10 GCEE CC[C@@](C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c1 563431390 GCHWQDZVQJKDDG-SWLSCSKDSA-N 389.499 0.658 30 10 GCEE N#CCc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2cccnc2)cc1 565536574 AITDBUYHUVFPGT-UHFFFAOYSA-N 394.478 0.546 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 568456278 ZMFDPSNFXPGPBR-ZBFHGGJFSA-N 390.465 0.354 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)O)c1 568881603 SQLLGATXMDUMDF-UHFFFAOYSA-N 389.499 0.658 30 10 GCEE C[C@H]1CN(c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cn2)C[C@@H](C)O1 570267202 CEWJVHKMDHQENM-OKILXGFUSA-N 384.444 0.658 30 10 GCEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](NC(N)=O)C2)CC1 572862663 RUMGLUZUXYEDPQ-UONOGXRCSA-N 376.486 0.200 30 10 GCEE COc1ccc([C@@H](NC(=O)NCCn2cnc(C#N)n2)c2nccn2C)cc1 574185283 SAPTZHGDZKWHKM-MRXNPFEDSA-N 380.412 0.981 30 10 GCEE CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 576397697 CXGHXVNLEHJSEO-CQSZACIVSA-N 395.423 0.593 30 10 GCEE N#CCC(=O)N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 580092306 BSPYRFBMNQJERD-CYBMUJFWSA-N 377.422 0.196 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](O)C2(C)C)c1 582857381 NAQXLEITLMYLSQ-FZMZJTMJSA-N 387.483 0.411 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCCC[C@H]1CCO 585761527 IYQRQLWDBDLGPT-INIZCTEOSA-N 396.451 1.540 30 10 GCEE CC1(C(=O)O)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 592426172 DJBYCQLOEKVVMF-UHFFFAOYSA-N 399.382 1.535 30 10 GCEE CC(C)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@]1(O)CCOC1 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CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](NCC#CCCO)(C(=O)O)CO2 2377233911 NTTKJIAIUCITMF-IBGZPJMESA-N 382.457 0.975 30 10 GCEE C#C[C@H](C)N1CCN([C@@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CC1 2378633750 SATKMPMNQJIASQ-DOXZYTNZSA-N 381.473 0.763 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 108626101 GTIJRANRDALTFE-MRXNPFEDSA-N 388.468 0.721 30 10 GCEE COc1ccc2nc(C=NNc3nc4c(c(=O)n(C)c(=O)n4C)n3C)ccc2c1 254822116 DHTKCZQFAQTYOF-UHFFFAOYSA-N 393.407 0.974 30 10 GCEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCN(c2ccccc2)C1=O 266889821 YGNRDTHIQVUTEG-DVEDPGPFSA-N 397.435 0.960 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1ccc(Cl)cn1 268440432 BWUREIDHSKZQEF-PFONDFGASA-N 379.804 0.939 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ccc1F 274679473 QZPKUSWSNNULMH-KRWDZBQOSA-N 384.429 0.922 30 10 GCEE CCOC(=O)[C@@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 281590750 MSUMONOISFQCHS-SWLSCSKDSA-N 397.453 0.309 30 10 GCEE CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 288629441 QTXVJDQTKJFRKU-OAGGEKHMSA-N 383.452 0.532 30 10 GCEE C=CC[C@@H](CO)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 295226483 YMWUTSBQQWWINV-DLBZAZTESA-N 398.481 0.880 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC2C[C@H]3C[C@@H]3C2)nc1 349550678 HUUPGLVRMJYNRV-CHWSQXEVSA-N 384.483 0.803 30 10 GCEE C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 378286816 ISRODYSCORTZTL-AWEZNQCLSA-N 397.439 0.257 30 10 GCEE CCOC(=O)CS(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 405103816 JHPUUIOFPQPOEJ-UHFFFAOYSA-N 376.265 0.747 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@@H](C)c2cccnc2)CC1 410670926 HBAZYRPXULQQDQ-INIZCTEOSA-N 387.484 0.438 30 10 GCEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cc(C#N)cn2C)c1 434110013 BAAWVCXRNKETIR-UHFFFAOYSA-N 376.394 0.600 30 10 GCEE Cn1cc(N2CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2=O)cn1 503137578 HXEQDVRGENXWFC-ACJLOTCBSA-N 375.429 0.903 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 512581325 GIKBGCMGGJDXGQ-UHFFFAOYSA-N 385.468 0.655 30 10 GCEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(N)=O)C(=O)C1 517891592 UJCJGYSZBXJJBU-UHFFFAOYSA-N 398.423 0.384 30 10 GCEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 521363191 BYBIXOYDTVNZLK-GDBMZVCRSA-N 395.481 0.930 30 10 GCEE COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 537070802 UHXNCZRRFNUEMD-UHFFFAOYSA-N 384.396 0.557 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1F 559049041 WVYHRQQBJPZDTB-UHFFFAOYSA-N 387.458 0.886 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](OC)C2)c1 568782246 KHKZFWRZYKMJIJ-STQMWFEESA-N 387.483 0.676 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 573564282 FLBDUIZSGGOQSE-KRWDZBQOSA-N 381.440 0.283 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccccn2)CC1 581771789 CAGHJVFHSPCWGH-QGZVFWFLSA-N 385.468 0.192 30 10 GCEE CCCNC(=O)CN1CCC(NCCS(=O)(=O)c2cccc(C#N)c2)CC1 591726120 UHSYMAZHSMNFEJ-UHFFFAOYSA-N 392.525 0.912 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC2(C)C)cc1 593633527 PRRBQPPDMWUKNT-BXUZGUMPSA-N 379.438 0.995 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C 595126397 WAOMMAMDLQVFIV-LBPRGKRZSA-N 375.477 0.244 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 598562670 YGEODSCJMOIHTK-QEWYBTABSA-N 377.466 0.844 30 10 GCEE CCn1nnc(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 600054654 JBVSSLJSZJPUNQ-LBPRGKRZSA-N 376.442 0.461 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccnn3)CC2)c1 625335869 TZQDRTSLZPFSAB-UHFFFAOYSA-N 388.453 0.298 30 10 GCEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 669310688 IXANJHUWHCZJFB-MJBXVCDLSA-N 397.501 0.241 30 10 GCEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 670209290 LAVUVHKVFCJOMV-ZIAGYGMSSA-N 385.490 0.460 30 10 GCEE C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)c1 764448727 OIOLTFOWULUPLY-UHFFFAOYSA-N 395.419 0.785 30 10 GCEE C#CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CC1 764726093 PKJSRCZDEKBNGN-UHFFFAOYSA-N 392.261 0.718 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 770231448 QPZUHPBGKAXTTQ-NSHDSACASA-N 389.426 0.423 30 10 GCEE C#CCN(C(=O)NCCCNC(=O)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 774208996 FEBQEBQNTCERDE-MRXNPFEDSA-N 395.456 0.778 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCS(=O)(=O)C1 783479939 HCUPPWYKVSNNBS-GFCCVEGCSA-N 379.825 0.799 30 10 GCEE C[C@H](C(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1)n1cnc(C#N)n1 798740745 BGFWFLHBOVCXAQ-CYBMUJFWSA-N 388.453 0.660 30 10 GCEE C#CCN1C(=O)C[C@@H](N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)C1=O 821771864 PNQDUVODMWDGJX-HZPDHXFCSA-N 375.450 0.653 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 832759495 BIAGSUZKNSXXGQ-CQSZACIVSA-N 384.436 0.444 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 839595487 UBWCUGYFQLGHNQ-CYBMUJFWSA-N 383.326 0.778 30 10 GCEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Nc2ncccn2)C1 843619205 URKQWNMZBLZXSY-LBPRGKRZSA-N 386.437 0.228 30 10 GCEE Cn1cnc(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 843973394 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Cc1ncsc1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282836081 FPERXALUOYSLSV-UHFFFAOYSA-N 398.319 0.963 30 10 GCEE Cc1nocc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852307 NMWZACPUWJRGNS-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE CC[C@@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCNC1 2282856839 ZBTOZLFJPDWQGY-MRXNPFEDSA-N 384.311 0.140 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2CO)OC1(C)C 2282868081 INGUFLILKJLWIO-GZBFAFLISA-N 379.287 0.987 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]12 2282869165 YJQZLDNGLPLLCZ-GRYCIOLGSA-N 382.295 0.439 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)NCc2nnc(CO)s2)OC1(C)C 2283062097 RFUXTEARDQGRRR-UHFFFAOYSA-N 377.235 0.050 30 10 GCEE CCOC[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284392301 VOYJBBYNOLASKT-SNVBAGLBSA-N 384.263 0.970 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)N2CCSC[C@H]2C(=O)O)OC1(C)C 2284420241 ZKFGCNRHRMLSSS-JTQLQIEISA-N 379.247 0.418 30 10 GCEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)CO1 2284437324 PQZCVHSQIAEWIO-ONGXEEELSA-N 382.247 0.756 30 10 GCEE C[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284450978 LJBPCVOGMKRIMM-KOLCDFICSA-N 381.263 0.708 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)ns2)OC1(C)C 2284456079 NLEVKCHPUJNOBI-MRVPVSSYSA-N 384.219 0.490 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CCO[C@@H]3[C@@H](C(=O)O)[C@H]32)OC1(C)C 2284492007 IOHPCCIPTQDOJM-JMJZKYOTSA-N 380.231 0.366 30 10 GCEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286902003 JSUOFDOXPSUDMR-DGCLKSJQSA-N 384.311 0.138 30 10 GCEE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)N1CC[C@@H](C#N)C1 2320526995 GWPLZIFOXCXRGU-YNEHKIRRSA-N 376.454 0.966 30 10 GCEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1cn(C)c2ccccc12 2330742764 OARCGHSBJXLNSO-UHFFFAOYSA-N 385.453 0.866 30 10 GCEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 2330743768 OHNHCWHHSVWVDB-UHFFFAOYSA-N 392.441 0.391 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@](C)(C(=O)O)C(C)(C)O)OC1(C)C 2362570096 UEFBZBMYFOHKNG-MRXNPFEDSA-N 384.263 0.786 30 10 GCEE CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 277208550 MCKGGQNRFKZNSN-IRXDYDNUSA-N 398.467 0.762 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 292653868 ICRYBAOZVJEAKP-ZDUSSCGKSA-N 382.461 0.708 30 10 GCEE O/C(=N/Cc1ccc(N2CCOCC2)nc1)N1CC[C@H](N2CCOCC2)C1 329552917 AWDZULOTAWIQRR-KRWDZBQOSA-N 375.473 0.739 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(OC)c1OC 369218695 KISLNKDQDDUJPD-AWEZNQCLSA-N 388.424 0.850 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 374446799 NFOULHOOHPUKJB-AWEZNQCLSA-N 396.469 0.497 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CC(N3CCCCC3)C2)cc1 378142429 YJCVUMLRVQWGRY-UHFFFAOYSA-N 376.482 0.970 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@]1(C)CN 423322256 GIGAPGGVAAVSDS-HGHGUNKESA-N 383.496 0.666 30 10 GCEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 442615829 KKAOBWAUUBZQTB-CYBMUJFWSA-N 388.243 0.851 30 10 GCEE COCC[C@H](COC)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 461264897 PGAMFQAGMRQDSL-GDBMZVCRSA-N 388.424 0.931 30 10 GCEE COc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 475290464 IQHFABBFVVWEJS-UHFFFAOYSA-N 386.387 0.727 30 10 GCEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cnn(C)c2C#N)CC1 475585157 JJTKUDJWMRRFGA-UHFFFAOYSA-N 388.453 0.162 30 10 GCEE C=C(C)[C@@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(F)c(F)c1 477652239 GFRJAFROONONCV-TVQRCGJNSA-N 375.397 0.491 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3CS(=O)(=O)NC)cc2C1=O 488878288 IKECDNPLYBDEOO-ZDUSSCGKSA-N 391.449 0.622 30 10 GCEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 503643021 LVYGDPGOXIMGEV-UHFFFAOYSA-N 398.872 0.593 30 10 GCEE N#CCNC(=O)CNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 511915249 FDWDVTREBJFLBP-UHFFFAOYSA-N 379.848 0.686 30 10 GCEE CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 515870094 RHKHNPVCOFWTCE-FICVDOATSA-N 385.467 0.144 30 10 GCEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C#N)CC)cc1 516878134 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C[C@H]1CN(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)C[C@@H](C)O1 578104922 ZSVZBUADASZEOZ-BETUJISGSA-N 385.515 0.486 30 10 GCEE CCOC(=O)CN(CC(N)=O)C(=O)Cc1ccc(Br)cc1C#N 593423905 PLJNAHVYPSDJGH-UHFFFAOYSA-N 382.214 0.740 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 593599840 XMTKKSKLURTQJE-ZFWWWQNUSA-N 393.465 0.829 30 10 GCEE C[C@H](CO)C1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 593740009 GLQYZGOCSBRDAX-OAHLLOKOSA-N 385.468 0.469 30 10 GCEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 595225766 NZJUNDLCVRYSJI-GOSISDBHSA-N 392.463 0.824 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)cn1 596562548 RDIANRLICNQCFU-BJJXKVORSA-N 380.408 0.697 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(OCCO)CCOC2)cc1 596876612 KVRSLTFGYACSOO-DYVFJYSZSA-N 397.453 0.662 30 10 GCEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2nc(N)n[nH]2)C1 597667751 REJQKKZEWJVMLG-UHFFFAOYSA-N 390.245 0.816 30 10 GCEE C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CN1 599957444 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2339664863 VLGGSHZDTVCPHF-LLVKDONJSA-N 385.490 0.666 30 10 GCEE CN[C@H](C#Cc1cnn(C)c1)[C@]1(O)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 2366100701 AVBNSUJDNMJMSV-VCBZYWHSSA-N 378.473 0.793 30 10 GCEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccc1 72443712 CPIJPZCYBCKNRG-ZIAGYGMSSA-N 392.419 0.695 30 10 GCEE C/N=C(/NC[C@@H](C)Oc1ccccc1)N1CCN(c2nccn(C)c2=O)CC1 262775528 JGTOODXHAUJGHS-MRXNPFEDSA-N 384.484 0.945 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)C1=O 284126185 ZUTTZCIVUATBCN-KRWDZBQOSA-N 381.436 0.734 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)nn1CCC#N 287663375 BBUMCZMSLFCYST-UHFFFAOYSA-N 386.334 0.277 30 10 GCEE CN1CC(=O)N(CC(O)=Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1=O 329310473 ZLBWZVOTAWPYRD-UHFFFAOYSA-N 384.389 0.848 30 10 GCEE Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)ccc1C#N 349488407 ZSBJONPLPHEVRU-WCQYABFASA-N 386.499 1.064 30 10 GCEE CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COCC1(C)C 349559492 WBGUXJXLLCKTEK-CYBMUJFWSA-N 393.531 0.429 30 10 GCEE Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 371111505 VXQIIAHWQRTJCF-UHFFFAOYSA-N 391.391 0.976 30 10 GCEE COc1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OCC(N)=O 377676955 QSDUOWKOYAQAHH-OAHLLOKOSA-N 387.440 0.441 30 10 GCEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)CCN1C1CC1 377682620 YPPMUXPWIURZER-CQSZACIVSA-N 380.445 0.693 30 10 GCEE NC(=NO)c1ccc(S(=O)(=O)CCNCC(=O)NCc2ccccc2)cc1 379684674 WAIZYYUVUFULTH-UHFFFAOYSA-N 390.465 0.461 30 10 GCEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)n2cnc(C#N)n2)cc1 409526217 AERDMCGJRMHDGJ-ZDUSSCGKSA-N 390.469 0.855 30 10 GCEE CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 410848551 PRGYHGMTHRDIDY-UHFFFAOYSA-N 381.440 0.384 30 10 GCEE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 418900812 DPBTWNAYSZAAOP-XYPHTWIQSA-N 383.452 0.284 30 10 GCEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 467905044 ZBCYBMQQLCZWJT-UHFFFAOYSA-N 380.408 0.248 30 10 GCEE C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 481855091 UCSUUDMQVFZGTJ-SJORKVTESA-N 398.511 0.838 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl 487338320 MVRBFPKGAKKQFM-VHSXEESVSA-N 387.845 0.946 30 10 GCEE Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1C#N 506747574 CGKDUXUDFRINES-TZMCWYRMSA-N 378.454 0.639 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 508496582 ZTXRWVHMELTUMS-ZNMIVQPWSA-N 399.517 0.801 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 508884004 DUBNNCVDUSISPN-HUUCEWRRSA-N 399.517 0.660 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C[S@](C)=O)cc2)CC1 512203237 PMXUYJQGUDXGBI-MHZLTWQESA-N 392.525 0.695 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)cc1 539509967 LLBAKVXOAZFVFS-UHFFFAOYSA-N 385.449 0.559 30 10 GCEE COC(=O)[C@H](CF)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 561653704 VQJDRGPCAAEKHO-HNNXBMFYSA-N 397.428 0.586 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 564951557 NIZQWPBMSLBKSN-MOPGFXCFSA-N 384.480 0.863 30 10 GCEE CC[C@@H](C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 566279357 MZJXEKUTFBFSEA-DOMZBBRYSA-N 381.454 0.931 30 10 GCEE COc1cccn2c(=O)n(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)nc12 579472335 OVBOIGAPQHRPSY-UHFFFAOYSA-N 397.395 0.022 30 10 GCEE COCCn1c(=C(C#N)C(=O)c2ccccn2)sc(=Cc2cnn(C)c2)c1=O 588543229 ASKLKYBZJFUEAW-UHFFFAOYSA-N 395.444 0.071 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CC2)n1 590991692 QDCQPKWADZXYTA-IRXDYDNUSA-N 399.451 0.008 30 10 GCEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCCS(=O)(=O)N1CC=CCC1 594638000 RLECIXQWHPXTFI-OAHLLOKOSA-N 391.515 0.303 30 10 GCEE C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@H]1C(=O)O 595985600 DUOQBRWXRPGFKW-QWHCGFSZSA-N 390.465 0.838 30 10 GCEE N#Cc1c(Br)cccc1OCC(=O)NC[C@]1(OCCO)CCOC1 597992588 BZTAHEKVNGGXGI-MRXNPFEDSA-N 399.241 0.984 30 10 GCEE Cc1sc(NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)c(C#N)c1C 599664735 GKLUFCSFCJHWQR-LBPRGKRZSA-N 386.499 0.425 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC)CCCC(C)(C)C2)C1=O 600281102 MOTQTHPFLMVBLT-GOSISDBHSA-N 379.413 0.591 30 10 GCEE Cc1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 600664216 WLYRESVLVDHEIE-DOMZBBRYSA-N 384.479 0.473 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@]23C[C@H]2COC3(C)C)cc1 600763948 PECQMUBORQGMJC-MQIPJXDCSA-N 399.494 0.723 30 10 GCEE CCn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CC2 611362637 HNKRDGKMCXISJQ-UHFFFAOYSA-N 397.439 0.610 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)C1 627277738 VVOBPOAZBSCOPV-OIISXLGYSA-N 399.447 0.954 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)O)c1 629310894 YNWFIJUUPZWAGT-CXAGYDPISA-N 382.438 0.855 30 10 GCEE CC#CC[C@H](CO)NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 632506277 VBONNDJJEFJSHW-LLVKDONJSA-N 387.259 0.853 30 10 GCEE C=CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 643697401 SEXXRCURLPXORH-KRWDZBQOSA-N 399.517 0.634 30 10 GCEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 643697584 XZJFBLODEUSFAL-SFHVURJKSA-N 379.461 0.411 30 10 GCEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 645884682 NKHFBXYJNKUTKK-CQSZACIVSA-N 388.511 0.674 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 658482614 LOTPSPZLRJDVSO-AWEZNQCLSA-N 375.491 0.016 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)cc2C1=O 674456248 ODUUXYCPEXVOQQ-HNNXBMFYSA-N 396.403 0.577 30 10 GCEE CC(C)[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 750431413 PMIJISXSGVFFLG-DOTOQJQBSA-N 378.450 0.972 30 10 GCEE COc1c(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)nn1C 778846867 LNLWFWCFKUDLIQ-LLVKDONJSA-N 378.410 0.881 30 10 GCEE CC(C)Oc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1C(N)=O 789492539 XKPHSFGLVJXEAF-OAHLLOKOSA-N 399.451 0.710 30 10 GCEE COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 789585691 BYIPOZHPXYXJSQ-MNOVXSKESA-N 392.416 0.242 30 10 GCEE C[C@H](C(=O)NS(=O)(=O)c1cncc(Br)c1)n1cnc(C#N)n1 798820601 KOEDVAZTZHOTCF-SSDOTTSWSA-N 385.203 0.373 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 826553802 FGTWNWRONWANQC-UHFFFAOYSA-N 396.491 0.838 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 831568220 AMCZBYUCXHGTKP-UHFFFAOYSA-N 393.465 0.331 30 10 GCEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 837682793 VTGFJYMPBZHWBN-OAHLLOKOSA-N 375.425 0.706 30 10 GCEE C#C[C@H]1COCCN1C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 838269841 DLDWBOUTRWIDSZ-JJEJIETFSA-N 383.448 0.761 30 10 GCEE C#C[C@@H]1COCCN1C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 838272241 UEWTUEFIJLYQPM-CQSZACIVSA-N 375.450 0.708 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCC(Cn2cnnc2)CC1)c1cc[nH]n1 846468589 AXMUVLZJBNFQID-UHFFFAOYSA-N 389.416 0.224 30 10 GCEE Cn1c2c(ccc1=O)[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)CCC2 846723734 YQMOPTUVTGOMHT-HNNXBMFYSA-N 394.435 0.374 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CC1 848070283 LLYPXGBVHJPSAK-GOSISDBHSA-N 397.397 0.807 30 10 GCEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(C)nnc2N(C)C)c1 850424784 LIZCKGJXGMNFDF-UHFFFAOYSA-N 394.435 0.868 30 10 GCEE C#CCSCCNC(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1 853775090 QKCIPYNCHNUDCS-LJQANCHMSA-N 377.510 0.916 30 10 GCEE Cn1ncc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c1I 867449061 NOKCPUFMCIMDJN-JTQLQIEISA-N 396.210 0.064 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 867567858 AYBJRKLFGVSUAB-UONOGXRCSA-N 376.475 0.580 30 10 GCEE N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]3NCC[C@@H]32)CC1 868416444 ZGLYOKOHMGNHSH-WMZOPIPTSA-N 385.443 0.699 30 10 GCEE CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2sccc2CC#N)CC1 870043056 KGKJKGQYVZNZHU-UHFFFAOYSA-N 378.454 0.203 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2ncnc3c2ncn3-c2ccccc2)CC1 872633239 GVVOWIQEJJJUOW-UHFFFAOYSA-N 397.464 0.405 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 873915944 PDPPDZSIYKQNKD-KRWDZBQOSA-N 384.436 0.154 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)CC1 896474601 BWEQYNCZWNGMBX-SJORKVTESA-N 394.472 0.807 30 10 GCEE Cc1ccc(C(=O)N[C@H](CO)c2nncn2C)cc1B1OC(C)(C)C(C)(C)O1 912935960 IOCNENVJSWUOSP-OAHLLOKOSA-N 386.261 0.886 30 10 GCEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC#CCN(C)C)C1 913515989 VSRPJKRROPEABZ-HNNXBMFYSA-N 382.486 0.373 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)C1CCN(C)CC1 930232228 HBARHYVJKQGLPK-OAHLLOKOSA-N 394.516 0.962 30 10 GCEE C=CCn1c([C@H]2C[C@H]3CC[C@H]2O3)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1118330249 IWOSPLBLTSHHJE-BASYENTBSA-N 394.497 0.893 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCC(n3cc(C(N)=O)nn3)CC2)c1 1118902613 MWPBTUCYICOUKK-UHFFFAOYSA-N 388.453 0.359 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)CC1 1119209703 AAXMMIBZDXCNOL-IAGOWNOFSA-N 375.469 0.296 30 10 GCEE O=C(Cn1ncn2nccc2c1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1119522689 KWBCLTCHHDNSHQ-UHFFFAOYSA-N 375.204 0.840 30 10 GCEE C#CCN(C(=O)C(=O)N(C)CCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1120329593 YFDCMGNUFRQBPP-KRWDZBQOSA-N 397.541 0.360 30 10 GCEE C=CCn1c(N2CCC(NC(=O)NC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1121608856 WOSSDDPRZSDQAJ-KSSFIOAISA-N 377.493 0.274 30 10 GCEE C#CCN1CCC(c2nnc(N3CCO[C@H](CC(N)=O)C3)n2CC2CC2)CC1 1123723816 RYPRFWXQUUMKNV-QGZVFWFLSA-N 386.500 0.581 30 10 GCEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 1136861952 SDEJBPWQZZRSAE-UHFFFAOYSA-N 393.509 0.701 30 10 GCEE N#Cc1cccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)c1Br 1140608370 UGWXAFAWMKDJAC-UHFFFAOYSA-N 387.255 0.990 30 10 GCEE COCCN(CCOC)C1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1144539542 GYJQJZRLRNKBLQ-UHFFFAOYSA-N 398.467 0.745 30 10 GCEE CN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCC[C@H]1C#N 1171051285 MPAYCIRLTGUCPK-ZENOOKHLSA-N 390.465 0.838 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(C)=O)cc2)CC1 1251701059 QXIUDKCIFWHFJN-UHFFFAOYSA-N 392.481 0.227 30 10 GCEE CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC2(CC1)OCCO2 1256047298 FTXOTRHYWAXUFX-YOEHRIQHSA-N 397.497 0.890 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 1261671481 QZDAQAPGXYOECE-CYBMUJFWSA-N 383.495 0.405 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](C(=O)OCC)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1263285837 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N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 1324870177 ITJPGSKAQUTHCK-UHFFFAOYSA-N 381.480 0.904 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@](C)(F)C3)CC2)c1C#N 1325031275 FLGMHBZOCDEMEQ-GOSISDBHSA-N 376.436 0.599 30 10 GCEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1325073540 IDFYLIAOONANAJ-BZNIZROVSA-N 388.442 0.095 30 10 GCEE CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1326709537 LDTZUUQTCDCVNY-ROUUACIJSA-N 398.463 0.803 30 10 GCEE Cc1cc(N2CC[C@H](NC(=O)C(=O)N3Cc4ccc(C#N)cc4C3)C2=O)n(C)n1 1333012020 ZYJQXWNNKGSUGA-INIZCTEOSA-N 392.419 0.364 30 10 GCEE CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1333693722 NMXGAGKBYDBKGS-UHFFFAOYSA-N 392.456 0.115 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 1334266898 FHQNIZLHVUGHBZ-AWEZNQCLSA-N 379.457 0.801 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1)C1CCN(C)CC1 1336509610 JXGBEDOBDFNITL-QGZVFWFLSA-N 385.512 0.757 30 10 GCEE CSc1nc(O)c(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1C#N 1338793225 JEYMNRGWERZEJP-UHFFFAOYSA-N 377.470 0.663 30 10 GCEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1340224667 VFXVPNYRRZCFSX-HZPDHXFCSA-N 388.520 0.948 30 10 GCEE C=C(C)Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1341740573 VVRNVFNSQJUPJN-LPHOPBHVSA-N 378.521 0.534 30 10 GCEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CCN(CC2CC2)CC1 1343895243 WWRJMCVRGVICFJ-OAHLLOKOSA-N 380.518 0.750 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H](C)O)n2C[C@H]2CCOC2)n1 1344159342 DNVKSLITUIEMLI-HZPDHXFCSA-N 388.472 0.851 30 10 GCEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2C[C@@H](C(N)=O)C2)C1=O 1346150320 BCEFROIKYCZIBG-NOLZGYHVSA-N 389.481 0.324 30 10 GCEE C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)[C@@H]1CCCO1 1346978318 DWSZWKYDCJIIIV-QZWWFDLISA-N 375.469 0.723 30 10 GCEE C#CCN(CC#C)c1nnc(-c2nc(COC)n(C)n2)n1C[C@H]1CCCCO1 1346998074 WENDIHUOEQDREE-OAHLLOKOSA-N 383.456 0.862 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)C1 1348386785 GBWNIMHJOURYEN-ZACQAIPSSA-N 376.457 0.638 30 10 GCEE N#Cc1cnc(-c2nnc(N3CCN([C@@H]4CCOC4)CC3)n2CC2CC2)cn1 1348949258 WOPWFUJEDCJOMM-MRXNPFEDSA-N 380.456 0.928 30 10 GCEE C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCN(CCc2cnccn2)CC1 1351861878 RTEMPYFCZUWEFX-INIZCTEOSA-N 396.499 0.612 30 10 GCEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC=C 1358970148 GXWHHYNBHWXLQH-FQEVSTJZSA-N 385.468 0.694 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc(NC3CC3)c2)CC1 1455115882 UDWGTSANWSDTOT-UHFFFAOYSA-N 377.470 0.190 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1cncn1)C(=O)OC 1456398413 LQLFOZWHFYERGA-QWHCGFSZSA-N 379.417 0.243 30 10 GCEE CC(C)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)N1CC[C@@H](N(C)C)C1 1475478290 BUNMNENPAJWSIN-WBVHZDCISA-N 393.513 0.809 30 10 GCEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)F 1492901233 HNLQKHURYZWJSI-UHFFFAOYSA-N 390.398 0.561 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@]2(O)CCO[C@H]2C)n1 1507717800 YTILSCQRJXDTRZ-HNAYVOBHSA-N 388.472 0.609 30 10 GCEE Cn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1517403151 IECQKJKLZBEMKI-SFHVURJKSA-N 383.460 0.821 30 10 GCEE C#CCN(CC#CC)c1nnc([C@](C)(O)c2cnccn2)n1C[C@H]1CCOC1 1519807146 CYLGPFAAVALQIA-OXQOHEQNSA-N 380.452 0.823 30 10 GCEE COC(=O)CCN(CC#N)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1535417620 PNDCBPIJJSYIJU-UHFFFAOYSA-N 398.437 0.783 30 10 GCEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)[C@H]1CCCO1 1537762680 GHKWWXIPHLYWOU-LSDHHAIUSA-N 399.490 0.416 30 10 GCEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539514504 RBLZLPKTWHRXGY-RWMBFGLXSA-N 391.453 0.710 30 10 GCEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1541808687 HQUKDECAOMYEFC-CZUORRHYSA-N 384.440 0.932 30 10 GCEE C#CC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1558691977 VUHIQMOGJUBBOB-WBVHZDCISA-N 392.477 0.140 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)C3CC3)s2)CC1 1565589305 CXOQMSAIUMIAMF-UHFFFAOYSA-N 388.493 0.994 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@H](C)O)CC3)n[nH]2)c1C 1567179118 JHTDMEIOOXPYGW-AWEZNQCLSA-N 386.456 0.741 30 10 GCEE N#Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)[nH]c2ccccc12 1584464985 JNKZPVXDUPGFJI-HOTGVXAUSA-N 388.449 0.267 30 10 GCEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)c1ccccc1C#N 1587011288 MXCMAFKJCUMLHO-GFCCVEGCSA-N 386.376 0.839 30 10 GCEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCCO[C@H](C)C1 1587904308 DOVMOADGJKWMQK-MRXNPFEDSA-N 376.505 0.987 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1587922293 YFTHEQBHNTUENX-HXUWFJFHSA-N 391.516 0.846 30 10 GCEE C#CCN(c1nnc(C(C)C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588030105 PNBXQOHXPJHAHX-CQSZACIVSA-N 381.502 0.553 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC1CC1 1588138944 JWPIFSGWBPLXMQ-INIZCTEOSA-N 376.482 0.680 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1596830938 GOMBMGZOEBYSOB-LJISPDSOSA-N 397.501 0.316 30 10 GCEE N#CCCN(Cc1cccnc1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1626886199 ZNNWBFTUFLADFA-UHFFFAOYSA-N 384.421 0.933 30 10 GCEE COc1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1637317395 FKVKFXKRENDREX-UHFFFAOYSA-N 389.433 0.798 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 1643372540 PUAZMKDMFTUTHK-UHFFFAOYSA-N 395.441 0.009 30 10 GCEE N#C[C@@]12CN([C@H](C(N)=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1644636819 ODPFDUZBFBDNTH-WHOFXGATSA-N 398.282 0.846 30 10 GCEE COC(=O)[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]2C[C@H]21 1645161990 PTVCOLSXEUFXMO-QXSJWSMHSA-N 376.434 0.787 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)cc1 1645880704 NZHDBXCVZOOJEJ-HNNXBMFYSA-N 392.437 0.184 30 10 GCEE N#Cc1c(N)sc2c1CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 1656380602 CDJMNVCGZINCGO-UHFFFAOYSA-N 399.476 0.741 30 10 GCEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)c1 1659627322 PDRDPNBGIPIUKC-OAHLLOKOSA-N 398.506 0.693 30 10 GCEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1661545906 WZYRFNABWSZYHB-LLVKDONJSA-N 383.451 0.287 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCS(=O)(=O)CCO3)C2=O)cc1 1672357384 IQGVYUPXXKTEKY-HNNXBMFYSA-N 392.437 0.031 30 10 GCEE C=CCOCC(=O)N1CC2(CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)[C@H]2COC[C@H]21 1682732866 MRIXTGYCYWLWRS-OPOADAIRSA-N 390.480 0.692 30 10 GCEE Cn1ncc(C(F)(F)F)c1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1684209625 VYXYNIHXQRGVPD-ZANVPECISA-N 391.375 0.519 30 10 GCEE C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCN2CCOCC2)c1 1686208590 JKLLQVPZGWXLGG-QRVBRYPASA-N 382.464 0.647 30 10 GCEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1689929894 GQWNSSORKWWNGX-INIZCTEOSA-N 393.513 0.652 30 10 GCEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC(C)C 1690256230 HEEGSRRFIDHJOU-ZDUSSCGKSA-N 386.522 0.815 30 10 GCEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)F 1692520582 BXNIZMNZTQJFSL-OAHLLOKOSA-N 387.366 0.240 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)COC 1702918827 ZJCBHIOVYLEUGM-XGUBFFRZSA-N 380.489 0.781 30 10 GCEE 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C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2c(C)nn(C)c2C)c1 1464805645 RITYEROMOXQZDU-INIZCTEOSA-N 392.481 0.965 30 10 GCEE N#Cc1c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]c2ccccc12 1465378988 AZDDYHDVBJVWRZ-CQSZACIVSA-N 381.436 0.702 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 1467451818 KFXXMUAJGHJMRO-UHFFFAOYSA-N 393.465 0.091 30 10 GCEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1468145827 RYJDOHDMYFICTA-ZBFHGGJFSA-N 381.454 0.244 30 10 GCEE CCOC(=O)c1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)on1 1471252272 OIPREPLTIKIBKQ-UHFFFAOYSA-N 392.393 0.206 30 10 GCEE Cn1c(=O)c2c(ncn2CCC(=O)N(O)Cc2ccccc2Cl)n(C)c1=O 1472618888 NBZUEOLBQKOFJY-UHFFFAOYSA-N 391.815 0.895 30 10 GCEE C#CCNC(=O)CC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1487133065 LHBFAKHSLBOTGY-YYXZMQKJSA-N 387.480 0.437 30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nnc(C)s1 1490665124 NYDCRMBBRSNMGS-RDBSUJKOSA-N 380.470 0.814 30 10 GCEE C#CCN(c1nnc(CC2CC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507633778 GZZYQRZMQGCSBO-INIZCTEOSA-N 388.497 0.823 30 10 GCEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1508083727 BCRPHGUYCQLUGY-UHFFFAOYSA-N 399.455 0.455 30 10 GCEE CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508251053 HCELSVQLERWZEO-MLGOLLRUSA-N 397.439 0.799 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]1CC 1519855053 REXFFBNNQMLYIW-BARDWOONSA-N 387.502 0.013 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)COCCOCC)C[C@@]2(C)C1 1521698232 CNJGQPZDHLTVLE-WWNBULGVSA-N 380.485 0.938 30 10 GCEE C#CCNC(=O)CC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1527845544 FPKFWOZGKOPLGI-YYXZMQKJSA-N 387.480 0.437 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1539153967 LIYVVGMYRTVFEG-LJQANCHMSA-N 384.440 0.542 30 10 GCEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCC2)CC1 1539459309 CXNIIMLGXJVQKR-UHFFFAOYSA-N 383.500 0.810 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1540871777 TZCWVDGZHCXXFS-CQSZACIVSA-N 376.461 0.047 30 10 GCEE N#C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1544000452 UJLRTTUJXWRHQC-ZYHUDNBSSA-N 375.410 0.261 30 10 GCEE Cc1c(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cnn1CCC#N 1544446210 OXTGPZXKUFPLIL-NSHDSACASA-N 381.380 0.657 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OC)cc1 1558285570 HVXVTLVBJUMMCT-ZBFHGGJFSA-N 396.465 0.991 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)NCCn3ccc(O)nc3=O)n[nH]2)c1C 1558338346 WWSWFLVCGRBXFF-UHFFFAOYSA-N 383.412 0.768 30 10 GCEE C=CCOC[C@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)OC 1561512172 PHVHDOAQQZKLOU-ZAMGYDSWSA-N 376.456 0.722 30 10 GCEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC(CO)CO 1566494565 NZYVPJUSYIOKHY-MRXNPFEDSA-N 375.425 0.862 30 10 GCEE C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1566769179 VNYMEBFFGMYEKL-LSTDLKDCSA-N 379.501 0.653 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C 1573918293 SSYAJFIIWDKQPV-FPCVCCKLSA-N 391.472 0.134 30 10 GCEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccn(CCOC)n1 1574537448 CUDBZCGRCSUKDG-JNNRSPCRSA-N 376.457 0.718 30 10 GCEE C#CCN(c1nnc(COCC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588074485 NMNYOCGRNODMMC-HNNXBMFYSA-N 396.513 0.746 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1cnn(C)c1 1588559824 KOPRUBPIKHVNDI-UHFFFAOYSA-N 399.499 0.966 30 10 GCEE COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C 1611245649 RCPYNOQEDLIRSC-DHGKCCLASA-N 381.429 0.828 30 10 GCEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1COCCO1 1612600184 XDPBHNPHPZSMPH-GOEBONIOSA-N 398.471 0.769 30 10 GCEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(=O)OCC 1643589349 JHHISNZDIIOJSE-LLVKDONJSA-N 375.834 0.794 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2C3CCC2(C(N)=O)CC3)ccc1F 1648097715 JMQIBZGMUIRALM-UHFFFAOYSA-N 381.429 0.913 30 10 GCEE 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383.503 0.556 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1705643840 BOAUGNYKICVBHD-HXUWFJFHSA-N 389.500 0.693 30 10 GCEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1722300983 ISPKTOPDZZYRGI-ZDUSSCGKSA-N 381.440 0.401 30 10 GCEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1730963294 YCUGILAADSARPR-INIZCTEOSA-N 377.426 0.364 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cc[nH]n1 1740638949 QKYXCVSHZRFGEM-INIZCTEOSA-N 381.440 0.746 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1740867972 AUHFKOFLJTWZBG-STQMWFEESA-N 397.505 0.068 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1741134290 YXEUALWMLBBBBY-RWMBFGLXSA-N 380.474 0.055 30 10 GCEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)C1=O 1748046239 UPBPCNGIIAPUKV-IBGZPJMESA-N 379.424 0.231 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCCO)CC1 1749015146 TUDOHDCLKVPOOM-KRWDZBQOSA-N 389.500 0.910 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1749656007 XBEFYYSAVMPWNP-MRXNPFEDSA-N 398.467 0.971 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1760288668 ICHQUYAFMLEPSO-MLGOLLRUSA-N 392.489 0.057 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1760294691 DPUGXEQXQLEBLE-SUMWQHHRSA-N 389.485 0.349 30 10 GCEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1764995067 DBEKTKJFNIVNGE-IRXDYDNUSA-N 396.451 0.947 30 10 GCEE O=C(NCC#Cc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1849996419 INOXHSMBQLIJDL-UHFFFAOYSA-N 385.445 0.884 30 10 GCEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1=O 1853988575 NBKXAXZDJRZGIQ-JKSUJKDBSA-N 375.450 0.808 30 10 GCEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1854547351 SHBDCUQCAMEGOJ-HZPDHXFCSA-N 383.514 0.826 30 10 GCEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)Cn3cccn3)C2=O)C1 1854880952 LSRJNWIKQJZMKU-QGZVFWFLSA-N 394.435 0.821 30 10 GCEE 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CC1(C)OB(c2sncc2C(=O)N2CCC[C@@H]2c2nn[nH]n2)OC1(C)C 2362503746 UESMOAHZGGJSKJ-SNVBAGLBSA-N 376.251 0.933 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NCc2ncc(C(N)=O)s2)OC1(C)C 2362568896 KMKQQIMZEVJJKW-UHFFFAOYSA-N 394.287 0.928 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)nn1 2368817671 MNRXIRGBFUYJHT-UONOGXRCSA-N 375.433 0.111 30 10 GCEE C=CCNC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 14569128 ZWPFZHTWFLPSOY-OAHLLOKOSA-N 377.466 0.860 30 10 GCEE CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)/N=C3/CCN(C)C(=O)N3)cc21 71447136 IWXMDBCMTSDPEZ-SNVBAGLBSA-N 380.426 0.953 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 160899406 MGPURVJLQGATMX-UHFFFAOYSA-N 388.394 0.568 30 10 GCEE CN1CCO[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 171704916 GZOQQSGSCKBLLP-MRXNPFEDSA-N 397.483 0.889 30 10 GCEE CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 248394111 HJLBMVIHUAKENR-CZUORRHYSA-N 381.440 0.922 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)[C@H](C#N)C1 268208588 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383.408 0.868 30 10 GCEE Cc1nccc(N2CCN(C(=O)C(=O)N(C)Cc3ccc(C#N)cc3)CC2)n1 459934927 BMIVLFPUFAORFI-UHFFFAOYSA-N 378.436 0.964 30 10 GCEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 466719096 QJJWYMKFFDMAPS-UHFFFAOYSA-N 375.392 0.602 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 498497620 QZFOLWNVKUOVEZ-IRXDYDNUSA-N 386.496 0.741 30 10 GCEE COc1cc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1C#N 569538105 TWECERZCKOCBLD-UHFFFAOYSA-N 385.424 0.199 30 10 GCEE C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CN1CCCc2ccccc21)C(=O)O 582610512 XVTBQFPRUYQNQG-DZGCQCFKSA-N 380.470 0.818 30 10 GCEE Cn1cc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)cc1C#N 588581371 CMKMPCGZKCSGFS-UHFFFAOYSA-N 386.440 0.784 30 10 GCEE CN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 590446941 XHPGBDFNHPDVKU-USXIJHARSA-N 381.436 0.926 30 10 GCEE N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 591998959 AQIJDWNRDQMJTL-UEXGIBASSA-N 397.479 0.645 30 10 GCEE CC[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 593633852 ULPWJLKNWPAKFF-DVOMOZLQSA-N 393.465 0.930 30 10 GCEE CN(C)S(=O)(=O)NCCNC(=O)Cc1ccc(Br)cc1C#N 593701014 YGCCGHCAZYWOQQ-UHFFFAOYSA-N 389.275 0.375 30 10 GCEE Cn1cnnc1N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 594082031 XXVGIKWVGCXLKA-UHFFFAOYSA-N 395.402 1.366 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(CO)C2)c1 594630095 DHNZOONYDQYSHJ-CYBMUJFWSA-N 387.483 0.222 30 10 GCEE CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2(C#N)CCCCC2)CC1 597208152 CPQVGTIUVZWMJW-QGZVFWFLSA-N 377.533 0.966 30 10 GCEE COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 600293626 ZIRBVKJPKSGURF-QGZVFWFLSA-N 395.437 0.201 30 10 GCEE CN(C)c1nc(CS(=O)(=O)C[C@@H](O)COc2ccccc2C#N)ns1 600663027 TWOMCXQQHZGDNJ-LBPRGKRZSA-N 382.467 0.830 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CO[C@H](C2CC2)C1 600760831 LRCOVNQGOXEREZ-YUTCNCBUSA-N 399.494 0.723 30 10 GCEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](O)C[C@@H](O)C2)CC1 610669155 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GCEE C#CCN(C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 774254384 SSHISOXHQYVJGB-RCCFBDPRSA-N 397.541 0.586 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(CC(C)C)nn1C)[C@@H]1CCS(=O)(=O)C1 783481935 RZTWBBRRSFIODR-CQSZACIVSA-N 380.470 0.206 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CC1Cc2ccccc2C1 786978127 IDDKDORNGSDXMG-ZCXUNETKSA-N 375.450 0.847 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCC1CS(=O)(=O)C1 790654116 CJYLYZVGVBGDPZ-LLVKDONJSA-N 386.451 0.203 30 10 GCEE CN(C(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O)C1(C#N)CCCCC1 790684052 DOWVLARQYBEVOA-SFHVURJKSA-N 375.425 0.827 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C1 790931327 GQKBSUFQZFYEEU-CKFHNAJUSA-N 390.440 0.475 30 10 GCEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC[C@H]1COc2ccccc2O1 798747284 FYTRPQBTYGLJOX-AVGNSLFASA-N 385.380 0.599 30 10 GCEE C[C@@H](C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1)n1cnc(C#N)n1 798834747 JCVNZZWHHKEMNZ-JTQLQIEISA-N 389.372 0.541 30 10 GCEE C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 807015111 VVFIOOYIFODWOK-SJORKVTESA-N 393.443 0.507 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccc(F)cc1 813042432 XLYGCBVFDPMEEK-MRXNPFEDSA-N 396.378 0.470 30 10 GCEE CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1Cl 820179915 ROLOWUNVVIFRCL-JTQLQIEISA-N 377.806 0.242 30 10 GCEE C#C[C@H]1COCCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 839194843 KJFCUPPFNWXEBT-INIZCTEOSA-N 380.466 0.420 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)C1 843253451 PKULRSVZBWHSAS-LYYZXLFJSA-N 390.436 0.200 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 845070190 MGFVRQYXPBKEHH-ZBFHGGJFSA-N 380.470 0.515 30 10 GCEE CCN(CCC#N)S(=O)(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 849444162 SBHANUOBVGJEBJ-ZDUSSCGKSA-N 388.490 0.835 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN(C)S(=O)(=O)CC 853408606 VMNKKSGSAUNDNC-UHFFFAOYSA-N 375.491 0.645 30 10 GCEE 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0.173 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@](C)(CO)C(F)(F)F)n1 2282529221 COVIXQPOSJATIZ-CQSZACIVSA-N 377.172 0.762 30 10 GCEE CN1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](CCO)C1 2282610047 PVXDCKHUJYPGNS-GFCCVEGCSA-N 381.307 0.581 30 10 GCEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CCCS(=O)(=O)C3)c2)OC1(C)C 2282670014 ZBEXLFGNONXXHF-AWEZNQCLSA-N 380.275 0.688 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N2CC[C@]3(CNC(=O)N3)C2)OC1(C)C 2282686949 YWWWCWPBVBHCFZ-KRWDZBQOSA-N 377.275 0.945 30 10 GCEE CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282862515 DQUOBQCYHUXOFE-UHFFFAOYSA-N 382.291 0.695 30 10 GCEE C=CC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284402875 MCCBFRWYDCLDFS-ZDUSSCGKSA-N 382.247 0.688 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4CS(=O)(=O)[C@H]4C3)nc2)OC1(C)C 2361659561 UUDLUSDQKQFYRI-RISCZKNCSA-N 378.259 0.250 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOC[C@@H](F)C1 2362005256 RLISFTYXTNVCFA-NSHDSACASA-N 389.258 0.078 30 10 GCEE CN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2368329651 ANWFMZSAYVEDJA-AXSMETJDSA-N 378.469 0.874 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2379417953 SJYOVDVTUVRXOI-WFTHSTBKSA-N 379.457 0.862 30 10 GCEE CCn1c(O)nnc1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2379645911 QXLNAJWRQOXRBA-UHFFFAOYSA-N 379.251 0.689 30 10 GCEE C=CCn1c(=O)c(N2CCN(C(=O)c3ccnn3C)CC2)nc2cccnc21 96333144 XWMRGODVHYFZHI-UHFFFAOYSA-N 379.424 0.673 30 10 GCEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H](N2CCNCC2)C(F)(F)F)c(F)c1 261855116 RWPHMWDZQXYKSO-LBPRGKRZSA-N 398.357 0.951 30 10 GCEE CN(C)C(=O)CN/C(=N\C[C@@H]1CCCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 262334479 VSUHBFGCWKONJG-HNAYVOBHSA-N 379.505 0.191 30 10 GCEE Cc1oc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 268026352 VXUGHZPFHKLEJN-UHFFFAOYSA-N 375.410 0.465 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 273479448 ZKCQHEIBCTXUSW-VBQJREDUSA-N 389.452 0.928 30 10 GCEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 285032532 GADCGRACNYGAHV-KBPBESRZSA-N 397.478 0.371 30 10 GCEE COC(=O)[C@]1(NS(=O)(=O)c2cccc(Br)c2C#N)CCOC1 288387446 ZZDOOOBQBHWQNP-ZDUSSCGKSA-N 389.227 0.931 30 10 GCEE CN1C(=O)C[C@@H](N/C(O)=N/[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H]1c1ccnn1C 329161218 FFPSCNNORFRNPR-ZHCAMHROSA-N 377.445 0.534 30 10 GCEE CN1CCC[C@@H](C/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)[C@@H]1c1ccnn1C 329265368 CFJYXYYCSMDPJB-SQWLQELKSA-N 375.477 0.631 30 10 GCEE CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 330762524 OTBLJJGXDLUCQI-UONOGXRCSA-N 375.491 0.294 30 10 GCEE CC1(C)[C@@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349454188 AVTZXJNVNIKXLN-WFASDCNBSA-N 393.531 0.163 30 10 GCEE CC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 408032855 CYUCFKSLNFIALM-MRXNPFEDSA-N 390.465 0.402 30 10 GCEE Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H](CO)[C@@H]3C)CC2)c1C#N 410745644 OTGLOEJWJBGMJV-STQMWFEESA-N 377.470 0.201 30 10 GCEE CCN(C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 410801673 MSPYGSNWMFQCMD-INIZCTEOSA-N 384.484 0.402 30 10 GCEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(S(=O)(=O)N(C)C)CC1 411756401 ZXAQSYQCLANTLS-HNNXBMFYSA-N 385.534 0.532 30 10 GCEE COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 414589359 QLNKLWQHMVRUJD-FQEVSTJZSA-N 399.451 0.404 30 10 GCEE N#Cc1cc(NC(=O)C(=O)N2CCOC3(CNC3)C2)ccc1OC(F)(F)F 415890597 IKCNSKJOUVZPCA-UHFFFAOYSA-N 384.314 0.596 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn3ncccc23)CC1 434021177 KDWZYRBVQKAIJM-UHFFFAOYSA-N 396.432 0.748 30 10 GCEE C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCN(S(=O)(=O)CC)CC1 453455457 FBUIWHDJSILTNZ-UHFFFAOYSA-N 394.505 0.430 30 10 GCEE Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](CCCC#N)c1ccccc1)c(=O)n2C 487590093 DBTUTLSXHWEDAO-HNNXBMFYSA-N 394.435 0.985 30 10 GCEE COC(=O)CCCC[C@@H]1SC[C@H](NS(C)(=O)=O)[C@H]1OS(C)(=O)=O 504688705 CGEJVMGUSFGCQX-JBLDHEPKSA-N 389.517 0.098 30 10 GCEE biogenic Cc1nn(C)c(N2CCN(C(=O)NCc3nnc4ccccn34)CC2)c1C#N 527065310 RHKBBMODXFGPKJ-UHFFFAOYSA-N 379.428 0.675 30 10 GCEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 565926284 OIUGHCCJESDRBW-IRXDYDNUSA-N 388.493 0.808 30 10 GCEE COc1cc(N2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC2)ncn1 574039611 VJVUILBIHRSYSM-UHFFFAOYSA-N 394.435 0.516 30 10 GCEE COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C#N)c1 577411702 KSLLTKOBTFJLRT-UHFFFAOYSA-N 389.499 0.876 30 10 GCEE CC[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CCO1 584540982 RZTBYIJOIIXHRU-OLZOCXBDSA-N 387.483 0.724 30 10 GCEE C[C@H]1Oc2ccc(C(=O)C[S@](=O)CC(=O)N(C)CCC#N)cc2NC1=O 586313276 IIYSIIVFPUZKOI-QYOLQKOISA-N 377.422 0.709 30 10 GCEE COCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C)cc2)c1=O 588524350 GUIVWAPSFABDID-INIZCTEOSA-N 398.484 0.973 30 10 GCEE COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1C#N 593525523 GAGLIILLNROFNU-NSHDSACASA-N 378.497 0.834 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCOC3)c2)CC1 594635594 VPCMIKBBNFZYBM-LBPRGKRZSA-N 385.467 0.336 30 10 GCEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC1(C#N)CCOCC1 597692519 OXXHAJKULUFFAO-UHFFFAOYSA-N 381.454 0.882 30 10 GCEE N#C[C@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 597740456 OLWVJAHZJOKJOH-GFCCVEGCSA-N 379.214 0.521 30 10 GCEE COCCOCCN(CCO)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 599771227 VGZFQHNRHCKMAB-UHFFFAOYSA-N 391.403 1.372 30 10 GCEE Cc1cc(NC(=O)C(=O)NC[C@H]2c3ccccc3C(=O)N2C)nn1CCC#N 600056273 AKRKVZCYHHCEGQ-HNNXBMFYSA-N 380.408 0.987 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 600103019 RQVOTVAIYBCEKM-AWEZNQCLSA-N 378.454 0.593 30 10 GCEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cnc21 604563278 AFOXVGLJKQZYKV-UHFFFAOYSA-N 395.398 0.490 30 10 GCEE N#Cc1ccc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c(F)c1 609685953 AZNOVGTYZFLCLA-KRWDZBQOSA-N 375.448 0.903 30 10 GCEE Cn1nc2c(cc1=O)CN(C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 613156179 BSHXDIKXWDSQCR-UHFFFAOYSA-N 376.380 0.823 30 10 GCEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 729332885 BDSXFQKOVOGBAT-HNNXBMFYSA-N 383.491 0.672 30 10 GCEE CCCN(CCC)C(=O)CCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910665 ROTXNALXYKDNEB-OAHLLOKOSA-N 399.513 0.771 30 10 GCEE C=CCNC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746751657 ZNMORYVASZBMBM-YVEFUNNKSA-N 385.420 0.696 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCOC[C@H]3C)CC2)o1 769287574 NJMHBPJPKLICBN-OCCSQVGLSA-N 376.413 0.719 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCO1 772294682 IMSOFZPDRHVVPC-CYBMUJFWSA-N 396.469 0.936 30 10 GCEE C#CCN(C(=O)NCCCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 774191075 FMUUHHHYSMCGSN-HNNXBMFYSA-N 393.513 0.769 30 10 GCEE CCC1(CC)CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCS1(=O)=O 779360692 LRSHFULAXHPDEW-NXVVXOECSA-N 383.470 0.719 30 10 GCEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)C1 780205311 LPSQFYHATASGDN-IEBWSBKVSA-N 389.452 0.608 30 10 GCEE Cc1nc(CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 781432982 SZZJHKBUSSZIRP-JTQLQIEISA-N 377.426 0.854 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 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CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC(CC#N)CC1)C2 1329663383 LTOKZJFIMPQFIL-FOIQADDNSA-N 391.468 0.955 30 10 GCEE CCN(C(=O)C(=O)N(C)CCc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 1332002104 ZMVQOWRDRJSSDZ-INIZCTEOSA-N 377.466 0.595 30 10 GCEE C#CCN(C(=O)C(=O)NC1CCN(CCOC(C)C)CC1)C1CCN(C)CC1 1333022210 ISYLLQKYCAZYDZ-UHFFFAOYSA-N 392.544 0.548 30 10 GCEE C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1333239193 XEIJLWQHEQWTOS-MRXNPFEDSA-N 386.495 0.583 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CC[C@H]3C[C@H]2CO3)n1 1334880983 QMUAWQJOOZRYQJ-RYRKJORJSA-N 388.468 0.423 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC(CC)(N2CCC2)CC1)[C@H]1CCS(=O)(=O)C1 1334924026 FBIAAOZAGNTAIY-INIZCTEOSA-N 395.525 0.112 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N[C@H]3C)n2CCCOCC)CC1 1344101014 YGUWTMZGMJUGLW-IRXDYDNUSA-N 388.516 0.842 30 10 GCEE C=CCOCc1nnc(N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)n1CC(C)C 1344376539 QTGLGBKNQIYWJM-ZNMIVQPWSA-N 384.502 0.885 30 10 GCEE C#CCN1CCN(c2nnc(-c3cc(O)n(C)n3)n2C[C@H]2CCCCO2)CC1 1344646914 FIUHGGRVHFEXKQ-OAHLLOKOSA-N 385.472 0.709 30 10 GCEE C#CC[C@@H]1CCCN(c2nnc(Cn3cc(CCO)nn3)n2C[C@@H]2CCOC2)C1 1345709827 NTISAVRXYFQSKF-SJORKVTESA-N 399.499 0.729 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1346397818 VPEBVFZVWZZQIM-HOTGVXAUSA-N 386.452 0.566 30 10 GCEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C#N)CC2CCC1CC2 1350689713 IAKRQHTYEKKGMH-PPPKJHQXSA-N 381.498 0.858 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1 1351603626 HYYTUEWPQRIKEJ-YGTYGHESSA-N 375.473 0.981 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1 1352261192 MNGQRSWQPHNDGA-UHFFFAOYSA-N 393.534 0.879 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1C[C@@H](C(=O)OC)O[C@H](C)C1 1357116811 KFBNSHOWGMJYJS-KBXIAJHMSA-N 379.461 0.358 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CC(N)=O 1359330578 WXVMPUDQGXPHFS-ZDUSSCGKSA-N 394.501 0.585 30 10 GCEE CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nn1 1438801061 PQGIIJGGTSSBGD-GFCCVEGCSA-N 385.405 0.743 30 10 GCEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c([N+](=O)[O-])cc1F 1462997832 KXDCOIPINLPBLC-VFZGTOFNSA-N 383.357 0.753 30 10 GCEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC(O)C1 1471131475 AZADXMVWWIENBG-XVTSOASTSA-N 378.473 0.851 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1cncc(C#N)c1 1471970401 LRKLMSANRJQHJM-AWEZNQCLSA-N 396.469 0.897 30 10 GCEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC1CN(S(C)(=O)=O)C1 1478497549 ILUXXKFNBQHAKA-UHFFFAOYSA-N 380.470 0.608 30 10 GCEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1502727871 DARKRRHJPXMXPP-HNAYVOBHSA-N 391.472 0.964 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1507536776 DXAYJPITBMBJEU-HIFRSBDPSA-N 381.502 0.869 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1507690925 ZCPCOJKYNNYIIJ-ZDUSSCGKSA-N 392.485 0.828 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1 1507843263 KBZLZSLWBDXEEK-INIZCTEOSA-N 392.504 0.590 30 10 GCEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)CC)CC1 1507897945 UPSGFKDLOQZTBZ-ZDUSSCGKSA-N 398.533 0.769 30 10 GCEE C=C(C)Cn1c(N2CC[C@@H](N(C)C(=O)N(C)C)C2)nnc1[C@]1(C)CNC(=O)C1 1516059004 IGGXSLKDALFXTR-KUHUBIRLSA-N 389.504 0.824 30 10 GCEE C=CCn1c(Cc2nccs2)nnc1N1CCO[C@@H](CNC(=O)NC)C1 1520284202 MPUIYUFMMAYXHW-LBPRGKRZSA-N 377.474 0.646 30 10 GCEE C=CCn1c(C2=NNC(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1520447299 FBQFDJQPRMUUFV-UHFFFAOYSA-N 384.419 0.939 30 10 GCEE Cc1cccc2c(=O)n(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cnc12 1536179282 GHKRIASWJQAVTA-UGSOOPFHSA-N 386.433 0.102 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CC1 1539238934 FCOJEVQKKDATOT-CYBMUJFWSA-N 381.527 0.857 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC2CC2)CC1 1539446556 GABLEZWXXBAALP-KRWDZBQOSA-N 386.500 0.454 30 10 GCEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 1539890578 QBRDEBHJBMEGQO-LSDHHAIUSA-N 393.513 0.861 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1540868616 LSKIFIWGCNUPJW-UHFFFAOYSA-N 384.444 0.104 30 10 GCEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1546545785 KZGDPBVOBIZWFT-KGLIPLIRSA-N 384.431 0.925 30 10 GCEE Cc1cn2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2c(=O)[nH]1 1556132182 GITWRFJWBUIGAI-DGCLKSJQSA-N 386.412 0.820 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(n3cnnc3O)CC2)c1 1556445086 LUUVLJQVXUTCHU-UHFFFAOYSA-N 393.400 0.897 30 10 GCEE C#CCC1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1558103152 RHXZKJNBETXGMI-AWEZNQCLSA-N 375.450 0.602 30 10 GCEE CCc1nccn1CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1558291935 RSFDGMWETHAPIK-UHFFFAOYSA-N 375.454 0.986 30 10 GCEE N#CC[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(F)(F)F 1584794501 UHSDPMKEMIDLRH-WPRPVWTQSA-N 380.348 0.113 30 10 GCEE COC1(OC)CCOC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1585188615 OQHZERHACJEIKU-HNNXBMFYSA-N 382.438 0.367 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)cc(F)c2C(N)=O)C1=O 1585633035 NCEKFDGZFJRVKA-UHFFFAOYSA-N 382.735 0.493 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1588314666 MNUTTZMCRPWNAT-INIZCTEOSA-N 396.451 0.601 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595595806 ZQSNBNYUYCKHIK-AWEZNQCLSA-N 399.517 0.520 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)C1 1595722903 OTLYJFLOLGUQCM-KGLIPLIRSA-N 382.486 0.486 30 10 GCEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCOC1 1619912955 QPFTVYDFBNTVAX-CRAIPNDOSA-N 379.461 0.690 30 10 GCEE COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)cn1 1619924519 ACGZLCCKJASYGO-ZFWWWQNUSA-N 386.460 0.716 30 10 GCEE Cn1c(N)c(C(=O)CN[C@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)n(C)c1=O 1620526943 WOFMQPMVINXCRP-CYBMUJFWSA-N 395.341 0.614 30 10 GCEE C=CC[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1626436991 BNQDTGYGSPKEME-LBPRGKRZSA-N 375.468 0.172 30 10 GCEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1632880620 VHOUGWZOGBHFHJ-YLCNQMKUSA-N 382.417 0.169 30 10 GCEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(C)(=O)=O)C1 1633134966 HAJRKDCSYBNGRB-ZDUSSCGKSA-N 375.491 0.996 30 10 GCEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1641967500 BOVBUSJDMMCKPM-AWEZNQCLSA-N 398.419 0.926 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)[C@@H](O)c3cccnc3)cc2C1=O 1643477308 BPUCQZFRTZLLTA-IRXDYDNUSA-N 381.388 0.688 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN(CCC(=O)OC)CC(OC)OC)c1 1654109284 FFFFTOFMVARRBO-UHFFFAOYSA-N 391.424 0.800 30 10 GCEE COc1c(C)cc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1C 1664544032 HJKRDAIOCBJJQY-UHFFFAOYSA-N 378.410 0.425 30 10 GCEE CN(C)CC#CCNC(=O)NCc1c(I)cnn1C 1687406152 GDTADTJHACBWON-UHFFFAOYSA-N 375.214 0.389 30 10 GCEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1690110503 OVWHCXJVUURTCP-UHFFFAOYSA-N 382.534 0.222 30 10 GCEE C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cnn(C)c1 1691701743 VDIJQHJHHQQZQL-OQIJWPOYSA-N 375.517 0.847 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1692665368 VDMSBHHMOMOKBN-LSDHHAIUSA-N 396.517 0.946 30 10 GCEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1693873464 QIOUFFROZZYUNK-OWZDWXTDSA-N 396.451 0.668 30 10 GCEE C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1702367181 ODCKQCFDDGKAFP-OSRDXIQISA-N 392.374 0.214 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705891024 VFOZCRMOMSPEIR-OLZOCXBDSA-N 394.457 0.636 30 10 GCEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC1 1722357570 JIOQEEXOIUXZTL-IRXDYDNUSA-N 389.500 0.936 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2=CCCOC2)CC1 1722440101 BTLSJMJELNTCOO-UHFFFAOYSA-N 384.484 0.502 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722699336 ULPIISSBNYFXAF-RRFJBIMHSA-N 379.461 0.324 30 10 GCEE C=C(C)CN(CC)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCO1 1724811936 FLEFYJCKWZQKBC-UQZKUAJDSA-N 391.512 0.651 30 10 GCEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)CCOC1 1728814912 BBVOGLHGDVTEPG-HDMKZQKVSA-N 377.445 0.838 30 10 GCEE 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COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C 593543257 MZOWNTFFVQEDEK-UHFFFAOYSA-N 382.486 0.459 30 10 GCEE C[C@H]1COC2(CCC2)CN1C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 595201189 WDCZBJJDJVUKJA-HNNXBMFYSA-N 383.452 0.772 30 10 GCEE CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1 597401788 ZHQZSEQFXJHCTN-INIZCTEOSA-N 391.516 0.636 30 10 GCEE C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599022016 NMMCNWRHOYVDBF-CQSZACIVSA-N 396.451 0.907 30 10 GCEE Cc1cccc(N(CCC#N)C(=O)CN2CCC(NS(N)(=O)=O)CC2)c1C 599648901 YLHIEPYITAQDIM-UHFFFAOYSA-N 393.513 0.808 30 10 GCEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C#N)c2ccc(F)cc2)cn1C 608852977 HLGUHSFGZWUOHH-CQSZACIVSA-N 379.417 0.917 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3OC)cc2C1=O 617873110 VEOWDPUORUINJT-KGLIPLIRSA-N 378.406 0.010 30 10 GCEE C=CCn1c(COCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 634340728 XYRNHBMQUUDOHY-UHFFFAOYSA-N 389.460 0.752 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 649079688 HOOSEAVQRHUBMS-CQSZACIVSA-N 394.497 0.343 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 666709127 TYJRKXJNJQYPRL-ROUUACIJSA-N 388.516 0.761 30 10 GCEE C#CCN(C(=O)CNC(=O)NCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332776 XILRLICDTSEBML-MRXNPFEDSA-N 377.466 0.443 30 10 GCEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCN1C1CC1 732676725 FDIVHSFHYIYZCQ-GDBMZVCRSA-N 382.468 0.746 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ncccn3)c2)c1 737983700 DYVJUQOTIGCPFB-UHFFFAOYSA-N 382.405 0.826 30 10 GCEE Cc1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cccc1N(C)C 776044710 LIHVSWLEKGAYNX-MSUUIHNZSA-N 385.424 0.642 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc2ncsc2c1)[C@H]1CCS(=O)(=O)C1 783481632 QXWFIORFRRNOEM-LBPRGKRZSA-N 377.447 0.884 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)n1 809557654 RXEFFFYPEFWBMA-NVXWUHKLSA-N 376.457 0.159 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2CCN(C3CC3)C2=O)C1 832162841 KXHXADHBFCRZSU-JSGCOSHPSA-N 377.445 0.762 30 10 GCEE C#C[C@@H]1COCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 838264754 NVMXSPAOUYDVKC-QGZVFWFLSA-N 392.477 0.501 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 843245600 CHFOYNKWFJEKAU-QGZVFWFLSA-N 376.501 0.261 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 846252692 UGKDAARTWDJCEE-SJORKVTESA-N 387.436 0.804 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 846285734 GPKFJAIPYXKQEG-SFHVURJKSA-N 396.451 0.580 30 10 GCEE C#C[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 847024393 IQPKSBIGZTYEOI-MRXNPFEDSA-N 391.493 0.991 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 853288719 GIPHJGZONAWIPE-UHFFFAOYSA-N 395.481 0.951 30 10 GCEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 856936968 ACJWIDJTVIORFA-HOCLYGCPSA-N 396.490 0.488 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NN1CCS(=O)(=O)CC1 862730735 SUVPTFBMABDJQT-ZDUSSCGKSA-N 388.490 0.725 30 10 GCEE COC(=O)COc1ccc(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] 863134584 PKJWOUGWXJNGMK-GFCCVEGCSA-N 385.398 0.647 30 10 GCEE C=CCN1CC[C@H](OC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)C1=O 869624429 CIMCCZYPDWTQFC-IMJJTQAJSA-N 376.413 0.039 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ncccc2C1 871054661 RTQYEGCSPFWURE-CYBMUJFWSA-N 391.501 0.926 30 10 GCEE C#CCNS(=O)(=O)N1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 895921010 KOMHTYWZODFDTL-UHFFFAOYSA-N 380.495 0.185 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1 896133738 JOVNRFSTAAXRIP-CVEARBPZSA-N 384.502 0.129 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 900439583 AUZNAIYRRPFPJY-ZBFHGGJFSA-N 395.500 0.838 30 10 GCEE C=C1[C@@H](C(=O)NCCCc2cnn(C)c2)[C@@H]1C(=O)NCCCc1cnn(C)c1 900512775 VHJBFXYCMGWWGG-QZTJIDSGSA-N 384.484 0.754 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C2CCC2)c1=O 901849366 KIHYVCLNKCSVAH-UHFFFAOYSA-N 395.488 0.492 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CCc3sccc3C2=O)CC1 913788353 AVDZHYQZZVNUAJ-CYBMUJFWSA-N 395.506 0.495 30 10 GCEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2csc(C#N)c2)C1 915525345 NVFUBLZXYILDPI-CYBMUJFWSA-N 377.513 0.805 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCCCc2ccccc21)[C@@H]1CCCO1 930470169 NBXMSAXWYPIHED-WMZOPIPTSA-N 383.448 0.769 30 10 GCEE O=C(Cn1cc(Br)ccc1=O)NCCN/C(O)=C1/N=CC=CC1=O 1116019913 AIYOKIQMVJFRIA-PFONDFGASA-N 395.213 0.253 30 10 GCEE C=CCC1(O)CCN(C(=O)C(=O)N2CCC(N3CCCOC3=O)CC2)CC1 1120390419 KIBLBGSPEHOCMK-UHFFFAOYSA-N 379.457 0.749 30 10 GCEE C=C(C)Cn1c(C[C@@H]2CCCCNC2=O)nnc1N1CCO[C@H](CC(N)=O)C1 1122104357 FQBYDYWVJPKAKS-LSDHHAIUSA-N 390.488 0.394 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(N(C)C)n2)s1 1152516593 BHYWSUCKGCMCPL-UHFFFAOYSA-N 395.510 0.927 30 10 GCEE C#CCn1cc(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)cn1 1192327921 RMDGXMSCWMUMRV-UHFFFAOYSA-N 376.438 0.862 30 10 GCEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)Cc1nnc2n1CCNC2=O 1213708920 BKCBYFWJLBQRTH-UHFFFAOYSA-N 378.389 0.161 30 10 GCEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)CCS2(=O)=O 1256202846 KVOITSGKFVIMJS-PEUXKQIOSA-N 383.470 0.831 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 1261965997 BJGMTPHDKMCKCF-MOPGFXCFSA-N 387.480 0.548 30 10 GCEE C#CCN(CCCN1CCOCC1)C1CCN(CCCN2CCOCC2)CC1 1262018966 BOPZKYDFSMFXRA-UHFFFAOYSA-N 392.588 0.831 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)C1 1262522180 FDLMPWFZOHBOQT-HNNXBMFYSA-N 391.493 0.566 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1286360006 BGGHFLDLYOXITL-CYBMUJFWSA-N 392.485 0.013 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N(C)C 1286411388 RREXGIKRKRBKTO-UHFFFAOYSA-N 386.481 0.228 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)CCOC)CC1 1286476941 KNORPZXIPSHVIZ-UHFFFAOYSA-N 385.516 0.997 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nnc3n2CCC3)CC1 1286491147 HHMPWIGJAQFGMY-UHFFFAOYSA-N 382.472 0.392 30 10 GCEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 1298425659 KJFCLOUETIYOGN-OAHLLOKOSA-N 380.360 0.598 30 10 GCEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H]1C 1299300437 DRYYQKPGKWUEAY-ZDUSSCGKSA-N 390.469 0.591 30 10 GCEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)COC)CC1 1301498613 RFMVBRAAYASKJM-UHFFFAOYSA-N 390.488 0.579 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N(C)C)C1 1301535797 OXBATMZSOAMWOL-HNNXBMFYSA-N 390.488 0.774 30 10 GCEE COC(=O)C1(O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1302880034 VIDFXUMUYOGASE-XYEKJYRLSA-N 393.440 0.520 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@@H]3C(N)=O)C2=O)cc1 1318486180 GYRXETGWGOCLFN-LSDHHAIUSA-N 383.408 0.630 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1320207980 BQOYLYSDYWESKB-CQSZACIVSA-N 396.465 0.930 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 1321430288 QTWWSKZYHNLRLK-OCCSQVGLSA-N 381.454 0.315 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1323164511 MZMZUCAUKKMLEJ-UONOGXRCSA-N 382.507 0.692 30 10 GCEE COc1cccc([C@H](C)NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1323386407 AXYJHMMPYPTTQZ-ZFHSLQLHSA-N 386.408 0.515 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1324335262 ZLJAVOAZFNQPDO-CYBMUJFWSA-N 378.454 0.362 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nn1 1325986848 QOHGWIGQUTTWML-AWEZNQCLSA-N 390.488 0.480 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@@H]1CCS(=O)(=O)C1 1326044611 PKPFHNIDYKVIMT-CQSZACIVSA-N 393.469 0.371 30 10 GCEE COC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1326506408 MMGOMYUOXZRBRU-UHFFFAOYSA-N 399.451 0.450 30 10 GCEE CC(C)C1(C)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1328847838 IQOVTGNQRWRISR-UHFFFAOYSA-N 387.440 0.489 30 10 GCEE NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)C#CC2CCNCC2)CC1 1330584317 HUTOZLDAULTQPR-UHFFFAOYSA-N 382.464 0.966 30 10 GCEE COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)C1 1331465241 VUJCFMUXYAZUAE-HOTGVXAUSA-N 385.420 0.020 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21)[C@@H]1CCS(=O)(=O)C1 1334293463 NDAFVXPTLBCSOW-CJNGLKHVSA-N 376.434 0.145 30 10 GCEE 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0.867 30 10 GCEE CN[C@H](C#Cc1ccn(C2CC2)n1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2366117977 HDALRPASJORLQT-GJYPPUQNSA-N 376.457 0.812 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)nn1 2367802045 XRWWEQKMNSGIMZ-CYBMUJFWSA-N 397.501 0.601 30 10 GCEE CC1(C)OB(c2sccc2C(=O)NC[C@H]2CN[C@H]3CCN2C3)OC1(C)C 2368745641 TYJJDNWUNLHPGB-QWHCGFSZSA-N 377.319 0.823 30 10 GCEE CC#CC[C@H](CO)N[C@@]1(C(=O)O)C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2379579538 YZASRBRKENTJGY-GJRWTSMGSA-N 382.457 0.972 30 10 GCEE C=CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 25865860 MLNGAHKCGOBSKU-RMKNXTFCSA-N 381.410 0.626 30 10 GCEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 27560249 GJMIIIFDIWIKSM-MRXNPFEDSA-N 387.484 0.321 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 119575613 RUZNEBXFEIOHHZ-UHFFFAOYSA-N 384.421 0.974 30 10 GCEE C#CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 131881375 GEJGWOFXVMAZHZ-QZTJIDSGSA-N 376.478 0.536 30 10 GCEE 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391.493 0.724 30 10 GCEE Cn1ccc(-c2nc(C=NNC(=S)NCCN3CCOCC3)cs2)n1 905422449 NMXDSRDHUSCREP-UHFFFAOYSA-N 379.515 0.674 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 930119036 NRZNYAVGWYBFFZ-SNVBAGLBSA-N 379.351 0.020 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1117576655 KGLQKGYNGWVPJH-SJORKVTESA-N 392.477 0.529 30 10 GCEE CO[C@@H]1CCC[C@H]([C@@H]2NC(=O)N(CCN/C(O)=C3\N=CC=CC3=O)C2=O)C1 1119628706 GSJKVGGZMRRJRL-AMVJDGHQSA-N 376.413 0.638 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](OC)(C(F)(F)F)C2)C1=O 1120344914 PPXNYAMOJIGNTC-NHYWBVRUSA-N 377.363 0.412 30 10 GCEE C=CCn1c([C@H]2CN(C(C)C)CCO2)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1121495714 OTRCRVTZCJRMJG-OWCLPIDISA-N 395.529 0.727 30 10 GCEE C=CCn1c(CN2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1121615147 FPKBDQHWGTUYAW-OKILXGFUSA-N 377.445 0.458 30 10 GCEE CC(=O)N1CCc2c(sc(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)c2C#N)C1 1131405363 FIRVCJROHDOFOW-MRXNPFEDSA-N 396.494 0.935 30 10 GCEE 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0.459 30 10 GCEE C#CCN(c1nnc([C@@H]2CNC(=O)C2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1122650732 TWJBTOIPKWMVAT-KBPBESRZSA-N 379.486 0.164 30 10 GCEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1132200501 NIHDFXUXWNAPIB-HNNXBMFYSA-N 398.444 0.668 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\Cn3cncn3)CC2)cc1 1136149247 CPUIDSFKFHXVBZ-UPHRSURJSA-N 386.437 0.239 30 10 GCEE O=C(CNC(=O)CNC(=O)C(=O)/C=C\c1ccc(F)cc1)NCc1ccccc1 1177372785 XTHKUXBDRYUVLQ-FLIBITNWSA-N 397.406 0.957 30 10 GCEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)n1CCO 1189977712 WBMBGJMYPJWFRM-NSHDSACASA-N 390.827 0.713 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1257080740 OVVYKBBWIBXLGO-ZFWWWQNUSA-N 380.441 0.522 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)nn1 1261448679 BKUGQKMHMJVBSO-HUUCEWRRSA-N 389.412 0.024 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2Cc3ccc(C#N)cc3C2)CC[C@H]1N1CCN(C)CC1 1261557478 GZSKQJHKJBXWNB-OXQOHEQNSA-N 395.507 0.885 30 10 GCEE 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CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@@H](N)C#Cc2ccn(C3CC3)n2)C1 2365959988 SQTUZFPBZRSSLT-BBWFWOEESA-N 376.457 0.894 30 10 GCEE CCN[C@H](C#Cc1cnn(C)c1)[C@@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C 2366040512 LEBKZHYAHZIYIS-BRWVUGGUSA-N 378.473 0.747 30 10 GCEE Cn1cc(C#C[C@@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)cn1 2366154617 YYFLWUIZDCAGAX-CABCVRRESA-N 397.497 0.945 30 10 GCEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(O)C(=O)C#CC1[C@@H]2COC[C@@H]12 2367296647 NSYFXISIGDGDNH-AVYPCKFXSA-N 377.437 0.982 30 10 GCEE C#CCNC(=O)CN[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2376722460 YSMZSXZALCDWBV-ZNZDAUKMSA-N 379.457 0.816 30 10 GCEE C#CC[C@@H](CO)N[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2377818685 OXPBXAHRSQNVGM-IFXJQAMLSA-N 382.457 0.974 30 10 GCEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN21 15708443 FQKJSAHIPSHNAC-BBWFWOEESA-N 383.452 0.279 30 10 GCEE biogenic COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)c1O 21079804 YJHXCMHHJMRLOS-FZSIALSZSA-N 389.401 0.814 30 10 GCEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 92616887 PGDDVORYBULWOV-LJQANCHMSA-N 395.511 0.768 30 10 GCEE O=C1C(=NNc2ccccc2[N+](=O)[O-])C([C@H](O)[C@@H](O)CO)=NN1c1ccccc1 254845189 IWCFLPVQGDNTDH-WMLDXEAASA-N 399.363 0.480 30 10 GCEE COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 262076497 AZDIOCKUYCBGJM-AWEZNQCLSA-N 389.408 0.727 30 10 GCEE CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 267463091 QZOBBVOPCRUFKC-UHFFFAOYSA-N 389.408 0.812 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCCC1=O 268751335 VHJAJSNRNFFNHX-ZDUSSCGKSA-N 378.454 0.354 30 10 GCEE C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 289014153 BYFCLSZPVQRYAA-PBHICJAKSA-N 382.468 0.201 30 10 GCEE Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)c1C#N 349603118 AWZURZAKRAQNKD-PWSUYJOCSA-N 389.503 0.782 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCN1C1CC1 369217907 DGVVGJHUJPTUMH-KRWDZBQOSA-N 381.436 0.716 30 10 GCEE Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 369222149 ZSMMQQYLYQLXOS-GOSISDBHSA-N 397.479 0.969 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1NC(C)=O 370990937 IXJSLLIQWMHGMM-HNNXBMFYSA-N 385.424 0.791 30 10 GCEE N#C[C@H]1CN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CCN1C1CC1 377677686 VQWJFURHCVICSG-NSHDSACASA-N 375.410 0.402 30 10 GCEE N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1Br 408461973 XKQNBPBHHCNGRI-SECBINFHSA-N 379.207 0.842 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C4CCC4)C3)CC2)n1 414600539 PNVNVHQOPBHSDF-KRWDZBQOSA-N 383.452 0.629 30 10 GCEE Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506732222 OHKXTCOQDDQPIX-KGLIPLIRSA-N 378.454 0.639 30 10 GCEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 516071900 RYPFIWVYAWGWPN-AWEZNQCLSA-N 378.234 0.998 30 10 GCEE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCO1 529738422 ZRHUESXCTAXODY-OAHLLOKOSA-N 383.412 0.096 30 10 GCEE N#CC1(CS(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)CC1 548222217 AWJXOFFIWTVAFB-CYBMUJFWSA-N 384.458 0.154 30 10 GCEE N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1 563665493 CCNFZGSUKSQCQI-KRWDZBQOSA-N 377.404 0.881 30 10 GCEE CN(CCO)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C#N)c1 568256010 WINBYQWRHMWSAP-UHFFFAOYSA-N 375.472 0.222 30 10 GCEE CC1(C)CC[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)O1 569120178 CIIPDIXBBQDVAG-LBPRGKRZSA-N 387.483 0.724 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 577963580 GAPACFVACZDEBI-VIKVFOODSA-N 397.478 0.286 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 582328361 VOISLZFEONWKOP-HUUCEWRRSA-N 396.465 0.631 30 10 GCEE CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)CC1 586864019 HVGVLXWECYXBJB-KRWDZBQOSA-N 387.459 0.552 30 10 GCEE Cn1cc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cn1 586864196 NOJJJYHPKDZDGC-UHFFFAOYSA-N 384.415 0.391 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC3(C2)CC3(F)F)c1 594629139 ITPXCRXHRFTJAW-UHFFFAOYSA-N 391.421 0.860 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](O)C2)c1 594631035 BIVZBFAALOUIMN-HUBLWGQQSA-N 387.483 0.268 30 10 GCEE CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC(C)(C)c2cccc(C#N)c2)n1 595109677 DHGXLTAXNYBHJW-UHFFFAOYSA-N 382.424 0.833 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCO[C@@H](CC(N)=O)C2)n1 599770163 KWOMWLFDHSSNJA-ZDUSSCGKSA-N 388.815 1.505 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@]12C[C@@H]1COC2(C)C 600767610 STWVBEIVTNWJFS-IUODEOHRSA-N 393.531 0.427 30 10 GCEE CS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 616407321 BPCFLCIZPRWIBO-UHFFFAOYSA-N 375.447 0.541 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(F)F)C1 669058790 CJUJTKYFXBCWEL-YGRLFVJLSA-N 379.433 0.935 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)c2c(C)nn(C)c2C)C1=O 673336367 BAIWFJYWBRMHRQ-HUUCEWRRSA-N 375.473 0.850 30 10 GCEE C=CCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 679586473 OZVMFZBVROJEMM-ZDUSSCGKSA-N 384.454 0.834 30 10 GCEE Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737305247 GBBNOGCUPFCAHN-MSUUIHNZSA-N 385.424 0.642 30 10 GCEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1C#N 747496451 KSFDBLZOUNHTPY-UHFFFAOYSA-N 388.405 0.620 30 10 GCEE C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCC=C)CC2)cc1 749667486 SPEAYNJMDKLTQL-UHFFFAOYSA-N 384.436 0.084 30 10 GCEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCCCC#N)ncnc1-2 753170666 OICSOGGWQRVSTF-UHFFFAOYSA-N 381.238 0.514 30 10 GCEE N#Cc1ccc([C@H](O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 780938845 JZLCDSZGXGMIDM-CVEARBPZSA-N 381.454 0.196 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)CN(C)S(C)(=O)=O)cc1 786592075 GIHDHKJTYOTWNH-GFCCVEGCSA-N 388.467 0.035 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NC)o2)n1 788812827 DJOUEPQXUZCJKR-UHFFFAOYSA-N 380.426 0.306 30 10 GCEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(C(C)=O)CC2)n1 789326163 PHOPPWQZHHLTLJ-MRXNPFEDSA-N 375.473 0.044 30 10 GCEE C=CC[C@H](NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1)c1ccncc1 805810995 LPKYKCJUXAZCCD-INIZCTEOSA-N 388.468 0.911 30 10 GCEE C#CCO[C@@H](C)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 823133812 VDEYTJQOIGEGRQ-VIFPVBQESA-N 381.234 0.066 30 10 GCEE CCOC1CC(CNC(=O)N2C[C@H](C)N(CC#N)[C@H](C)C2)(N2CCOCC2)C1 823308774 UREVHEUCOHKDKM-ZVBHREPYSA-N 393.532 0.884 30 10 GCEE C[S@](=O)C1(C(=O)N2CCO[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 826663132 YHJJXRRDTUZLKG-SRGMZFCMSA-N 385.486 0.886 30 10 GCEE COc1ccc(CNC(=O)C(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1C#N 829351067 IMOULLGBQMXSBK-KRWDZBQOSA-N 386.452 0.241 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 831560493 AJPKXROKLPXEKV-QWHCGFSZSA-N 383.420 0.680 30 10 GCEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 838591211 DYOASCLPFIRDNW-WBVHZDCISA-N 387.436 0.848 30 10 GCEE CN1CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)S1(=O)=O 842687615 SMNFMURYBKBQBO-RISCZKNCSA-N 379.394 0.139 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC(C3(O)CC3)CC2)n1 846271978 KHJUNWRCHPSEKR-UHFFFAOYSA-N 388.468 0.255 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 846277318 GYGURLNCYIFGSH-IAGOWNOFSA-N 394.435 0.553 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC1C[C@@H]2C[C@H]2C1 848956828 TUBXLHWJEVGRGE-KBPBESRZSA-N 393.490 0.911 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 850655882 RVRHOEMNQBVDFW-GFCCVEGCSA-N 397.428 0.269 30 10 GCEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 853668317 ZGDJQGPZIQSIMB-UHFFFAOYSA-N 387.443 0.561 30 10 GCEE C=C(C)CN1CCC(NC(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)CC1 861574567 VXTQFFKQHJDTPK-MSOLQXFVSA-N 391.516 0.994 30 10 GCEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C)N(CC#N)[C@H](C)C2)CC1=O 880458508 VVPXFPYZVXEVOH-XMTFNYHQSA-N 375.517 0.764 30 10 GCEE C#CC1(F)CN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)C1 883149191 UHDYSYNKCCYMFF-UHFFFAOYSA-N 382.436 0.870 30 10 GCEE C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@H](Cc2ccccc2)C1 886384347 NXEOKWKNGUODMM-OAQYLSRUSA-N 394.519 0.494 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 891608164 XIEIJMBLFSVNID-CQSZACIVSA-N 377.466 0.551 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C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 613039067 MSCKIHDLXGSGFY-QGZVFWFLSA-N 395.481 0.655 30 10 GCEE C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)c1 628098017 BWMGRLRZOHYKGK-CQSZACIVSA-N 395.481 0.978 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 658472535 WHKITVFCIGRLMA-QGZVFWFLSA-N 394.516 0.241 30 10 GCEE CS(=O)(=O)[C@@H]1CCCC1=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 741459372 CDGQTWNZCPBTQR-CYBMUJFWSA-N 375.428 0.967 30 10 GCEE C[C@H](OC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)Nc1sc2c(c1C#N)CCC2 751567509 IWHNLRRYYDEIKH-XVKPBYJWSA-N 376.394 0.577 30 10 GCEE COC(=O)CN(CC#N)C(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 768171378 OUKYWFSDEIZZHG-AGUYFDCRSA-N 393.440 0.974 30 10 GCEE N#Cc1ccc(NCCNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)nc1 768709493 VBEAUEJVBVOEEE-UHFFFAOYSA-N 376.380 0.701 30 10 GCEE C#CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 774165076 NUZKQUHUZDBVPQ-IRXDYDNUSA-N 384.546 0.090 30 10 GCEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2c(C)cc(OC)nc2C)c1=O 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CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 844936588 JQAVFTFHLWEFCA-QGZVFWFLSA-N 394.497 0.905 30 10 GCEE N#CCC(=O)N1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 846958285 SAYWFKKLHISIPH-UHFFFAOYSA-N 385.468 0.910 30 10 GCEE Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C(=O)CC#N)CC2)c1 846960266 ZHYLKOLTTXZSRR-UHFFFAOYSA-N 380.452 0.658 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 850681958 LIEZSFJQDNPRNV-NVXWUHKLSA-N 382.424 0.190 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 855491856 LWIGNSKUCUCLTG-UHFFFAOYSA-N 379.438 0.288 30 10 GCEE C#CC[C@H](COC)NC(=O)NCc1nn(C)cc1I 858519750 KPVLWRNMPCYKPH-SECBINFHSA-N 376.198 0.862 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCC(N3C(=O)O[C@@H]4CNC[C@@H]43)CC2)cc1 858616173 ORKQXSNMLWABTO-JKSUJKDBSA-N 376.438 0.504 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2 862195225 SQZMHLXAEDVOBS-GHMZBOCLSA-N 379.438 0.514 30 10 GCEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCO[C@@H](C#N)C1)N2C(=O)OC(C)(C)C 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C=C(C)Cn1c(CN2CCCC2)nnc1N1CCO[C@H](CNC(=O)NC)C1 1122488138 PRJZVWQPVCUGQS-OAHLLOKOSA-N 377.493 0.584 30 10 GCEE N#Cc1cn(C2CN(C(=O)c3ccc(C(F)(F)F)nc3O)C2)c(=O)nc1O 1159490397 OZKSDWRIBQGJMM-UHFFFAOYSA-N 381.270 0.637 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2S(C)(=O)=O)C1 1262311238 WFRDYQYRJUATBZ-HNNXBMFYSA-N 380.466 0.552 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnnn2CCc2cc(C)n(C)n2)n1 1262447126 RWZPJINAHHTIKP-UHFFFAOYSA-N 383.460 0.440 30 10 GCEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1286349086 DYZORUDCAKKHAB-KGLIPLIRSA-N 381.502 0.412 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1286377578 YRUZQABHRZTSNI-HNNXBMFYSA-N 393.513 0.871 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1286432032 WBUKNFZWNIEWGG-OAHLLOKOSA-N 391.497 0.169 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286785871 SKWZDHJFTCHJEO-CYBMUJFWSA-N 392.485 0.209 30 10 GCEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1286859644 HYUYUJFYKWZUJB-BBWFWOEESA-N 388.472 0.769 30 10 GCEE NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@H](NC(=O)CC#Cc3ccccc3)C2)C1 1289637100 NGEGOTMHRXDOMA-XDNAFOTISA-N 383.448 0.018 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCOCC1 1300601885 LAWRRKSYHBRQBC-HNNXBMFYSA-N 398.533 0.070 30 10 GCEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1302099053 RWGMWSPWZGMZFK-QOHXFFFDSA-N 397.501 0.642 30 10 GCEE C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1305114803 GTRDKYFOAFTCSI-SMDDNHRTSA-N 383.412 0.409 30 10 GCEE C[C@@H]1Cc2cc(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc2O1 1313251722 JXBLBZHXLKCPDE-LLVKDONJSA-N 381.392 0.910 30 10 GCEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCN(C)C1 1316099922 FBBDKUPSVULQDH-LJQANCHMSA-N 385.472 0.773 30 10 GCEE CNC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1320903438 KMVPHNQQULIQDO-ZBFHGGJFSA-N 385.424 0.650 30 10 GCEE C#CCN(C(=O)C(=O)NCCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1323047883 IBUVQWJAXWKXJE-CYBMUJFWSA-N 398.868 0.484 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCCC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1324197419 JRXRUEPFDUGTFM-HUUCEWRRSA-N 382.482 0.101 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 1325430211 AXMYBGZOGBPAKR-FUHIMQAGSA-N 399.491 0.773 30 10 GCEE CNC(=O)[C@H](CNC(=O)C(=O)N1CC[C@](F)(C#N)C1)Cc1ccc(F)cc1C 1326139178 KBNVJDFDBHWCBE-LIRRHRJNSA-N 392.406 0.619 30 10 GCEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CCO1 1326143779 DSWCUGMQOSZQOS-ZDUSSCGKSA-N 380.445 0.549 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 1327176390 KJSVWZVBAIBWBD-HUUCEWRRSA-N 381.498 0.179 30 10 GCEE N#CCC1(CNC(=O)C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 1328010891 UCCVLKULWGFHJN-OAHLLOKOSA-N 399.499 0.335 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cn2ccnn2)C1 1328396497 YXLWNFHWSHIPET-STQMWFEESA-N 380.478 0.192 30 10 GCEE C#CCN(CC(=O)N(C)c1nnc(C)s1)CC(=O)N(C)c1nnc(C)s1 1330870795 SLNMJUMQDNAWAX-UHFFFAOYSA-N 393.498 0.567 30 10 GCEE C#CC1CCN(c2nnnn2Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1334673539 RQLYUOVVJWCYHF-UHFFFAOYSA-N 379.424 0.623 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)CC1 1336423873 BJQFOVACARJGRF-GCJKJVERSA-N 379.460 0.775 30 10 GCEE C=CCn1c(Cc2nccs2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 1339519103 QKRFGWSRZUVSGW-GFCCVEGCSA-N 382.515 0.982 30 10 GCEE C=CCn1c([C@@H]2CCC[C@H](O)C2)nnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1340581926 DHIWJSXSEBNLCO-VKJFTORMSA-N 396.513 0.877 30 10 GCEE C#CCN(c1nnc(-c2cnn3cccnc23)n1CC)[C@H]1CCS(=O)(=O)C1 1341114282 WSZHCBZSGUAYDK-ZDUSSCGKSA-N 385.453 0.634 30 10 GCEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(c2nccnc2C)CC1 1342040345 QCLMAABUUMDLNZ-INIZCTEOSA-N 384.488 0.892 30 10 GCEE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342095695 HEZLCNGBIJFKFI-ZCXUNETKSA-N 399.451 0.354 30 10 GCEE C#CCN(c1nnc(C[C@H](C)SC)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1342752907 ZNKDCIZCOBADKV-UONOGXRCSA-N 386.543 0.845 30 10 GCEE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CCO1 1348619871 FXTKNHGZOFLKKL-CJNGLKHVSA-N 377.466 0.516 30 10 GCEE CS(=O)(=O)c1ccccc1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1349462678 HRPDKVCYSXIDHB-UHFFFAOYSA-N 389.437 0.703 30 10 GCEE C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCN(c2nncn2C)CC1 1349847155 YFSVCVYDNYDYKN-UHFFFAOYSA-N 386.431 0.818 30 10 GCEE O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1N=Cc1c(Br)nc2n1CCOC2 1350694263 XJNVJYZMRUSKGY-LSKIRQOJSA-N 393.197 0.448 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1358889668 FMAANGLJOYLPLV-CHWSQXEVSA-N 388.515 0.073 30 10 GCEE C#CCN(c1nnc(C2CC2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358962960 ZRXXADHWGRXVSB-CABCVRRESA-N 380.470 0.198 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359297658 XLLZEINOAKLCLK-CABCVRRESA-N 395.467 0.605 30 10 GCEE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ncccc2C#N)CC1 1440763570 VTZAZIDWTYSXKL-WMLDXEAASA-N 385.468 0.658 30 10 GCEE C[C@H](CC(=O)N[C@H](CO)CN1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1450608191 GITWBCQMYBAATH-KGLIPLIRSA-N 394.497 0.077 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1471953842 OCMVJGHNOHHCGY-YUDUHTQSSA-N 381.454 0.006 30 10 GCEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n(C)n1 1492723884 FHUQHIJFPUSFDF-AAEUAGOBSA-N 394.505 0.574 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 1505314600 HGDDSXCCUXQHKI-VFZGTOFNSA-N 385.350 0.052 30 10 GCEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1C 1507693789 GRLDDYCOVBBRHI-UHFFFAOYSA-N 384.469 0.906 30 10 GCEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507830272 YPTYTCLFCYPZSQ-QWHCGFSZSA-N 382.490 0.323 30 10 GCEE C#CCN(C)c1nnc([C@@H]2C[C@H](O)CN2c2cnccn2)n1C[C@H]1CCOC1 1519723934 XNCNRZRENMMCPA-PMPSAXMXSA-N 383.456 0.486 30 10 GCEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OCC 1535344872 KDLFQSMMHLPONB-AXMVNOCNSA-N 384.816 0.339 30 10 GCEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1539204086 YOLKZZUQUIZCOV-ZIAGYGMSSA-N 391.501 0.595 30 10 GCEE C#CCN1CCN(c2nnc(C)n2Cc2cccc(N3CCOCC3)n2)CC1 1539431220 RGFIDYPEAYOBJY-UHFFFAOYSA-N 381.484 0.622 30 10 GCEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1540155619 BCUCAJHODDBFLF-WCQYABFASA-N 379.438 0.573 30 10 GCEE N#Cc1cccc(C(=O)NCCOCCS(N)(=O)=O)c1Br 1556521179 ROODHBDJSWVQPI-UHFFFAOYSA-N 376.232 0.356 30 10 GCEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 1560079713 GGHIWHSTTCZZQQ-AWEZNQCLSA-N 375.425 0.894 30 10 GCEE COC[C@](C)(C#N)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1566306143 ALOSDNRGABGNJI-ACJLOTCBSA-N 382.461 0.795 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CO)CN3CCOCC3)n[nH]2)c1C 1567953969 KGJJLXUVVNUPGT-HNNXBMFYSA-N 388.472 0.499 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]21 1573070146 CJMHIMWIXOFKJX-VQHPVUNQSA-N 375.469 0.553 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@](C)(NC(C)=O)C(C)C 1574455211 ADSYSTMFVDUSQW-PDOICOKGSA-N 377.485 0.825 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCOCC1 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N#Cc1cn(CCNC(=O)CCCNC(=O)c2ccsc2)c(=O)nc1O 1641030217 JFXMKAWLIBOUIC-UHFFFAOYSA-N 375.410 0.208 30 10 GCEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 1644511233 SPNJAIOUYWXLKB-NSHDSACASA-N 396.897 0.370 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(NC3CCOCC3)C2)c1 1651959360 JLJAKGATPZCXFS-UHFFFAOYSA-N 379.482 0.744 30 10 GCEE C#CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653195665 FHFUJOVWCLCJKP-HVEKOLDVSA-N 390.461 0.640 30 10 GCEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)C1CCCC1 1682375670 VCEHZLABLSEHCX-GOEBONIOSA-N 387.506 0.265 30 10 GCEE C#CCN(C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21)[C@@H]1CCS(=O)(=O)C1 1684568412 VQAOFGLRJXACHU-OLZOCXBDSA-N 394.453 0.337 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCOC2)CC1 1690124177 GYQBACQQXTZHHH-VQIMIIECSA-N 375.473 0.079 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1690644266 ALENTMOVEDIROO-HUUCEWRRSA-N 399.517 0.660 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC(F)F 1690723695 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C[C@H]1C(=O)N(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)CCN1CCCC#N 1854291265 NNNUMNBVFLHCOZ-UONOGXRCSA-N 382.424 0.716 30 10 GCEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)nn1 1854978590 BGROUGQOMPNNTK-GJZGRUSLSA-N 386.456 0.536 30 10 GCEE N#CCCN1CC[C@@H](N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)C(=O)C2)C1 1855073244 XDZHTGFFFQAPJR-QGZVFWFLSA-N 398.463 0.659 30 10 GCEE Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)[C@H](C)C2=O)cc1C#N 1855947461 RGAQJOPLDZEIPS-CZUORRHYSA-N 375.450 0.727 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCOC4)C(=O)C3)C2)s1 1856380492 OFMUHXBKXWNKNM-HUUCEWRRSA-N 388.493 0.901 30 10 GCEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC(Cn4ccnc4C)C3)C2=O)CC1=O 1856546616 GGXRRNXWWDCDGH-SJORKVTESA-N 385.468 0.285 30 10 GCEE COCc1cc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)n(C)c1 1857152360 VKJDJOAKYHTREH-QGZVFWFLSA-N 387.484 0.834 30 10 GCEE COCCn1cc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cn1 1857155890 JWJHJHXKNUGLRN-KRWDZBQOSA-N 388.472 0.192 30 10 GCEE 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0.820 30 10 GCEE CCN([C@H](C)CO)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 514678004 MWWWVGUMETUSEM-GFCCVEGCSA-N 387.483 0.412 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 522317968 KYFVSEPKRGJJQV-UHFFFAOYSA-N 390.440 0.424 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 530277562 WVLXYFADLMDLIJ-QWJLCTJOSA-N 381.479 0.349 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)c1 538831969 HXHQLFBWFNTXPX-UHFFFAOYSA-N 391.453 0.994 30 10 GCEE CN(C)S(=O)(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 542339534 XXJOXJSCMWDLSI-UHFFFAOYSA-N 393.425 0.346 30 10 GCEE COCCn1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nn1 566725924 VFFTVHFTUVIMAU-OAHLLOKOSA-N 386.437 0.950 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)[C@@H]1C 569354839 YJFCZWUHNHVQCV-CHWSQXEVSA-N 382.467 0.753 30 10 GCEE C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 578523686 LZVZLFAHOALQHT-OLZOCXBDSA-N 399.494 0.724 30 10 GCEE 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COC(=O)[C@@H](CCF)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 846431607 GPJLLSNNLYCMHL-GFCCVEGCSA-N 385.417 0.523 30 10 GCEE NC(=O)[C@H]1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 846439150 HTWJGYRRGYAPNB-BETUJISGSA-N 392.481 0.666 30 10 GCEE CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846734413 UCBFDXDWXVWSSX-GVDBMIGSSA-N 375.425 0.360 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 846735872 XNDIZZYPPNVQJI-IRXDYDNUSA-N 387.436 0.852 30 10 GCEE C#CCSCCNC(=O)NC[C@]1(CO)COCCN1Cc1ccccc1 853775089 QKCIPYNCHNUDCS-IBGZPJMESA-N 377.510 0.916 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC)C2CCOCC2)cc1 855288534 CSRGOYKNQYTMHL-KRWDZBQOSA-N 380.466 0.770 30 10 GCEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 856107253 JXMZKECIVYOXGH-GUYCJALGSA-N 375.450 0.770 30 10 GCEE CN(C)S(=O)(=O)N1CC(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 863540983 IJYONBGQMXJHLW-UHFFFAOYSA-N 376.482 0.977 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 884233940 CXKZFODZILDFLL-KRWDZBQOSA-N 378.448 0.511 30 10 GCEE C=C1[C@H](C(=O)NCC(=O)N2CCCCC2)[C@H]1C(=O)NCC(=O)N1CCCCC1 900549245 KKLYWADMEOAYLO-ROUUACIJSA-N 390.484 0.046 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1)C1CCN(C)CC1 910882023 AYEQPAXEYBDOFY-HNNXBMFYSA-N 384.471 0.730 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1117283835 BKDJDTXTXZZQOJ-GXTWGEPZSA-N 380.491 0.891 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)C1CCOCC1 1118467450 GMFKGJYQKIUZFE-AWEZNQCLSA-N 379.438 0.126 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)CC1 1118831565 DQBBAUJQHBGXLX-ZDUSSCGKSA-N 399.373 0.091 30 10 GCEE Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1118914150 PDZGLLJXZFEVER-UHFFFAOYSA-N 398.423 0.683 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2cnccn2)CC1 1121566827 SXFCQSSRAWXCDG-MRXNPFEDSA-N 382.472 0.570 30 10 GCEE C#CCN(c1nnc(C2(O)CC2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1122593753 QDVDFWZFZCYUTE-AWEZNQCLSA-N 382.486 0.313 30 10 GCEE N#C[C@@]12CN(C(=O)CSCC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1134274780 AWAWWBNGKAORSJ-YOEHRIQHSA-N 378.475 0.999 30 10 GCEE N#C[C@@]12CN(C(=O)c3nn(-c4cccc(F)c4)cc3O)C[C@H]1CS(=O)(=O)C2 1178757510 SKKDKLKVHJKEEM-GTNSWQLSSA-N 390.396 0.727 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1=O 1180964361 PIWWKARPCXAUNC-PHIMTYICSA-N 380.401 0.135 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC[C@H]1N1CCN(C)CC1 1261522749 CIUGMVWZKXWFHY-OXQOHEQNSA-N 395.507 0.885 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1262947155 GPKPVGVLWXIFMK-IHETXDGRSA-N 395.529 0.463 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1286376463 LJRASFOETUNNIP-HNNXBMFYSA-N 393.513 0.114 30 10 GCEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1300972720 PJUFAZFEDMXIQN-KBPBESRZSA-N 387.506 0.706 30 10 GCEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnn(C)n2)CC1 1301064081 PBPYTHSQGLEKPW-UHFFFAOYSA-N 380.416 0.654 30 10 GCEE CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)n1cccn1 1301632680 YUJONTHDWQRIDG-UHFFFAOYSA-N 375.454 0.863 30 10 GCEE COCCn1cc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)c(O)nc1=O 1302942312 BBYHLRYDYVMNJC-QPJJXVBHSA-N 375.356 0.633 30 10 GCEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1303951167 WSDGQEASQCZPCM-RBSFLKMASA-N 388.472 0.816 30 10 GCEE C[C@@]1(C#N)CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 1304193503 UUPQSWQHKWBPGT-MAUKXSAKSA-N 393.465 0.899 30 10 GCEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1316097895 KHWXYSVORVWAHC-CQSZACIVSA-N 389.460 0.159 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C(=O)NCC(F)(F)F)n1 1321005146 LKVWCIQDBZLUAU-GFCCVEGCSA-N 389.378 0.741 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(C4CCOCC4)C3)CC2)nc1 1322691968 JSBGLGGTZLFHPV-UHFFFAOYSA-N 397.479 0.923 30 10 GCEE C[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1323983759 KQUYJXCJHYWRIS-TZMCWYRMSA-N 387.440 0.613 30 10 GCEE C#CCN(C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)[C@H]1CCS(=O)(=O)C1 1326547396 NLAALHHNWLXMFY-GLQYFDAESA-N 378.853 0.456 30 10 GCEE C=CCn1c(Cc2noc([C@@H](OC)[C@@H]3CCOC3)n2)nnc1N1CCOCC1 1327739161 FEYVKYKCZNAQCH-CJNGLKHVSA-N 390.444 0.999 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cn2ccnn2)C1 1328073793 QGLSJIHREIIZLZ-KBPBESRZSA-N 377.474 0.484 30 10 GCEE N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC4=C(CCC(=O)N4)C3)C2)cc1 1328228573 VKPKMVZBZMHCGR-UHFFFAOYSA-N 380.404 0.544 30 10 GCEE COC(=O)[C@]1(N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CCOC1 1328819647 JSPYTWVOODFMNR-FQEVSTJZSA-N 392.500 0.621 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@]2(CCCOC2)C1 1329401251 WUAFEUDALCUXTI-MGPUTAFESA-N 398.467 0.414 30 10 GCEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1330934577 OGWKTOSJZAFIQI-XHSDSOJGSA-N 399.513 0.301 30 10 GCEE COc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1C#N 1331246102 WVWARHWSSCJTAB-UHFFFAOYSA-N 384.396 0.106 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(OC)OC)CC1 1337276149 DXKCYWNGTWALJX-CQSZACIVSA-N 397.472 0.583 30 10 GCEE C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(C)CCC(=O)NC1 1339519266 RSMAOCAODKQDHC-OXJNMPFZSA-N 388.516 0.790 30 10 GCEE C=CCn1c(N2CCN(S(C)(=O)=O)[C@H](C)C2)nnc1[C@@]1(O)CCSC1 1340284705 DEHADTWOACRJJJ-IUODEOHRSA-N 387.531 0.259 30 10 GCEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCC[C@]2(CCS(=O)(=O)C2)C1 1342040986 WTOHKZVKENQMDE-YJBOKZPZSA-N 395.529 0.872 30 10 GCEE C#C[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)N3)n2C[C@H]2CCCO2)C1 1345578944 HKYJSNWWUZRRPH-RBSFLKMASA-N 379.486 0.671 30 10 GCEE C=C(C)Cn1c(C2CCSCC2)nnc1N1CCN(CC(N)=O)C(=O)C1 1346690689 ACVYNWUBWLRPCA-UHFFFAOYSA-N 378.502 0.599 30 10 GCEE C=C[C@H](O)c1nnc(N2C[C@@H](C(=O)OCC)C3(COC3)C2)n1C[C@@H]1CCOC1 1346857265 IAYAZWPBBBAALS-KKUMJFAQSA-N 392.456 0.550 30 10 GCEE COC(=O)C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C1CC1 1350918239 ZLLIMVFDDIVZTC-IAGOWNOFSA-N 387.436 0.756 30 10 GCEE C=CC[C@H](NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C)C(=O)OCC 1351520250 CJLHKOJNGANQPJ-NWANDNLSSA-N 378.429 0.333 30 10 GCEE C#CCN(c1nnc([C@@H]2CCc3n[nH]cc3C2)n1CC)[C@@H]1CCS(=O)(=O)C1 1356418375 WTFVCUBEUHPQNH-UKRRQHHQSA-N 388.497 0.920 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358975249 JASKUWMXUUUQTH-MRXNPFEDSA-N 398.492 0.694 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCN2CCN(C(C)=O)CC2)C1 1359322451 VXHUJCQJZFELGH-QGZVFWFLSA-N 376.505 0.786 30 10 GCEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCCNS(C)(=O)=O 1360478889 OVFUORDFEWNUHD-CQSZACIVSA-N 391.501 0.942 30 10 GCEE N#Cc1cn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)nc1O 1440657906 GNDGVSNHGWGCTQ-AWEZNQCLSA-N 382.376 0.955 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCC(F)(F)F)C[C@H](O)CO 1446337321 PXDXNOPLAAADHL-NJERVBSYSA-N 379.335 0.037 30 10 GCEE CC(C)(C)n1ccnc1SCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457200728 XHTRZANRGRBYOH-UHFFFAOYSA-N 388.453 0.948 30 10 GCEE C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457200840 NXSZBIZEUMORPV-HUBLWGQQSA-N 397.439 0.872 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1466492924 GNIPSSQNISMWCK-KBPBESRZSA-N 387.502 0.833 30 10 GCEE C#CC1(O)CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 1469929455 OCPOWOTWYNELTN-UHFFFAOYSA-N 375.809 0.147 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)c1 1472625747 IGJHZENZPDHAQW-HZPDHXFCSA-N 393.465 0.633 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1507616840 NZYGAISNXXCDHL-CQSZACIVSA-N 393.513 0.556 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(C)(=O)=O 1507676809 QLPSMIPGSDHREL-HOTGVXAUSA-N 394.497 0.510 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCc2ccco2)CC1 1507725051 ODVMVIOHKFDSOH-UHFFFAOYSA-N 393.451 0.938 30 10 GCEE C=C(C)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1515003492 MRWMZZMCWZJIGR-APWZRJJASA-N 376.505 0.871 30 10 GCEE C#CCN1CCC(c2nnc(N3CCO[C@H](CC(N)=O)C3)n2CC(=C)C)CC1 1515317390 CKYPMFCTQKXYMC-QGZVFWFLSA-N 386.500 0.747 30 10 GCEE COc1cc([C@@H](C#N)NC(=O)[C@@]2(F)CCS(=O)(=O)C2)cc(OC)c1OC 1521184883 CRNVXTFCDHYHKP-BDJLRTHQSA-N 386.401 0.920 30 10 GCEE CC(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)CC1 1522144174 FSLGHQUUBDOFSS-PMPSAXMXSA-N 378.498 0.750 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)CC)C1 1540895682 XJBLBRHOFHVXFS-KUNJGFBQSA-N 395.529 0.950 30 10 GCEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1570834134 VEEISZRIFHRYHR-MRXNPFEDSA-N 378.392 0.430 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 1588848269 BUOZHHYECCJRGW-NDEPHWFRSA-N 398.536 0.930 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)on1 1595466235 GXUHGYJIACZTAJ-UHFFFAOYSA-N 375.433 0.651 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC)C1 1595680970 NYIOUYXTQFYAJC-DNVCBOLYSA-N 393.488 0.848 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CSC)C(=O)OCC)c1 1596022384 FQUBXGONTSUPRN-CQSZACIVSA-N 384.479 0.623 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](O)CS(C)(=O)=O)CC1 1598521535 UUDUXJVABJDDKJ-CQSZACIVSA-N 388.486 0.159 30 10 GCEE CS[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1N1CCCC1 1611063573 GIWZHDYZWRYUSF-ZIAGYGMSSA-N 377.470 0.249 30 10 GCEE Cn1c(SCC(=O)N[C@](C)(C#N)C2CC2)nnc1[C@H]1CCS(=O)(=O)C1 1613398225 CHHKTMPBXHFJTA-ZUZCIYMTSA-N 383.499 0.618 30 10 GCEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1616795827 AYPUHOIXRRBVSC-MRXNPFEDSA-N 376.396 0.410 30 10 GCEE C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1621708404 FLOZKLWYRSOKEJ-UHFFFAOYSA-N 399.421 1.000 30 10 GCEE C#CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1N)[C@@H]1CCS(=O)(=O)C1 1626434159 FEAAMRFRZHINHR-GFCCVEGCSA-N 384.479 0.325 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1=O 1632493970 UKIPMEYBIZHLIU-UHFFFAOYSA-N 398.375 0.943 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N[C@@H]2CCN(O)C2=O)C1 1636353272 VJDKVFNLQWYDLN-ZYHUDNBSSA-N 379.417 0.854 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(-c3ccccc3)c2N)CC1 1636480341 NKUJRMDGMIMHEF-UHFFFAOYSA-N 399.476 0.556 30 10 GCEE C#CCC1(O)CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 1636665096 XBFKEZXVMHKFRV-MRXNPFEDSA-N 397.431 0.294 30 10 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CC1(C)OB(c2cccc(OCCN3CCCNS3(=O)=O)c2)OC1(C)C 308400230 JPWUUCZLDMIUAC-UHFFFAOYSA-N 382.291 0.905 30 10 GCEE C[C@H](Cn1ncc2ccccc2c1=O)/N=C(/O)N1CCS(=O)(=O)[C@H](C)C1 328917474 KRZZJVQCQOCWLX-CHWSQXEVSA-N 378.454 0.818 30 10 GCEE O/C(=N/Cc1ccc(N2CCOCC2)nc1)N1CC[C@@H](N2CCOCC2)C1 329552919 AWDZULOTAWIQRR-QGZVFWFLSA-N 375.473 0.739 30 10 GCEE CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 369219728 PXMQKGBLLITGTD-MRXNPFEDSA-N 381.436 0.733 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 370332629 HXAMYXIOURUJPH-UHFFFAOYSA-N 378.410 0.701 30 10 GCEE CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)[C@@H]2C1 425390572 QXYJXGCMBFQAJO-DOTOQJQBSA-N 382.468 0.154 30 10 GCEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 453428708 AHYBZAPPFOFSQB-KBPBESRZSA-N 376.461 0.476 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 453775960 NGYLWTRKUYQNTH-ZFWWWQNUSA-N 378.454 0.639 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 468272753 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N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1 575430120 PMAWOSBWYOHIHY-HZPDHXFCSA-N 399.494 0.821 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccccn2)CC1 581771788 CAGHJVFHSPCWGH-KRWDZBQOSA-N 385.468 0.192 30 10 GCEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(c2ncccc2C#N)CC1 590415241 QLIAFXAEPMPGNQ-UHFFFAOYSA-N 386.437 0.418 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C2(O)CC2)CC1 593770569 SXKGUIAZELDRGW-ZDUSSCGKSA-N 377.466 0.989 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CCOCC3)c2)CC1 594635288 JKCBCWKVHSWYMZ-UHFFFAOYSA-N 385.467 0.478 30 10 GCEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(O)(C2CC2)C2CC2)n1 595181185 BFJHHQHXNFDJSO-UHFFFAOYSA-N 380.408 0.745 30 10 GCEE C=CCNC(=O)NC(=O)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 595911992 VXQCPHVTHSDTGS-AWEZNQCLSA-N 375.477 0.011 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C2CCC2)c1 595964514 QTULRGKOSVHRRW-HNNXBMFYSA-N 387.483 0.270 30 10 GCEE C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](CC(=O)OC)C1 597284763 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C#CCNC(=O)COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn1-2 774849636 IQOWCGOJQPWGBY-UHFFFAOYSA-N 396.403 0.763 30 10 GCEE C#CCN(C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1)[C@@H]1CCS(=O)(=O)C1 775134684 DDHRDAHKGPLMAW-JKSUJKDBSA-N 393.513 0.529 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 804893655 ZTTKASPDKMDUNQ-GJZGRUSLSA-N 380.489 0.736 30 10 GCEE C#CCN(C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)[C@H]1CCS(=O)(=O)C1 824821726 LFMGAORQCDOMPM-CBBWQLFWSA-N 383.470 0.438 30 10 GCEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 838401380 DPBJOCMUXWSJMX-GOSISDBHSA-N 382.468 0.780 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC(C)(C(=O)O)CC2)n1 843055287 VZHXNZMZURJKJK-UHFFFAOYSA-N 390.440 0.205 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 850681960 LIEZSFJQDNPRNV-RDJZCZTQSA-N 382.424 0.190 30 10 GCEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc4n(n3)CCC4)nc2)CC1 853274519 RRNBSWWCHKZBEI-UHFFFAOYSA-N 389.485 0.606 30 10 GCEE C=C(CO)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 855748691 NPRMXFDFPVVLBQ-GHMZBOCLSA-N 380.363 0.915 30 10 GCEE N#C[C@@]1(F)CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 861216141 YMDZTCXLWFEQFU-AWEZNQCLSA-N 388.808 0.181 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 867339152 AYUWOJWGGLGEGI-QMMMGPOBSA-N 380.191 0.647 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 875129782 XIMRQVDVLSNCCW-CABCVRRESA-N 381.473 0.904 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 897674640 CJAOENVBSFXKCB-OXFYSEKESA-N 379.501 0.986 30 10 GCEE C#CCCCc1nnc(N2CCN(S(C)(=O)=O)[C@H](C)C2)n1C[C@H]1CCCO1 909771685 SBGBPRARBZFSLM-HZPDHXFCSA-N 395.529 0.883 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 913872304 DVTYISRQZHHOPW-IRXDYDNUSA-N 381.473 0.931 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)c1 922466906 NRADUTZXLDIUPH-BBRMVZONSA-N 375.450 0.339 30 10 GCEE C=CCn1cc2ccc(NC(=O)N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)cc2n1 926225098 SWSOXUBQLQXMIO-CVEARBPZSA-N 375.454 0.825 30 10 GCEE CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC#C[C@H]1CCCCO1)C(F)(F)F 931378093 YNDSQKAXYRQRJS-VXGBXAGGSA-N 385.408 0.680 30 10 GCEE C=CCc1ccc(OC[C@H](O)CN2CCO[C@@H](CS(C)(=O)=O)C2)c(OC)c1 933638172 YDESTQOZZHOJKL-IAGOWNOFSA-N 399.509 0.909 30 10 GCEE C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)[C@H](OC)C1 942002881 UOYQXFCFDSVTKY-HUYLIWGRSA-N 383.492 0.893 30 10 GCEE O=C(O)[C@@H]1CN(C2CC2)C2=C(C=C(F)[C@@H]([N+]3=C[C@@H]4NCCC[C@@H]4C3)[C@H]2O)C1=O 1083817531 LFNDDUIKLKVQNG-LEIBTQMMSA-O 390.435 0.050 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@]2(C)CO)ccc1F 1118990143 IPFSHEBYJFAVQV-CXAGYDPISA-N 386.445 0.902 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@@H]21 1119227605 JJQKNMJFPIPZLF-VHDGCEQUSA-N 382.869 0.811 30 10 GCEE Cc1c(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)ccc(Br)c1C#N 1129954979 LNZDPJQPJNYFLG-NSHDSACASA-N 386.227 0.481 30 10 GCEE 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CNC[C@H](C)N(C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282507187 CWKPFNDERMYHRS-NSHDSACASA-N 386.327 0.256 30 10 GCEE C=C(CS(=O)(=O)NC[C@H]1CN2CCCN1CC2)B1OC(C)(C)C(C)(C)O1 2282508408 WAXPVNUBKFMGRU-HNNXBMFYSA-N 385.339 0.483 30 10 GCEE CN1C(=O)CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1=O 2282518827 HPZCVCCRBJOTGX-LBPRGKRZSA-N 378.259 0.925 30 10 GCEE CCn1cc(C(=O)N=[S@](C)(=O)CCNC)nc1B1OC(C)(C)C(C)(C)O1 2282540643 MQXCYHASSMVTJW-AREMUKBSSA-N 384.311 0.660 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCSC[C@H]1CO 2282599215 ODENMDWYWNGPHE-GFCCVEGCSA-N 381.307 0.578 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CCO[C@]4(CN)C3)ns2)OC1(C)C 2282601547 FXVWRRKCWUXDKY-PIGZYNQJSA-N 379.291 0.632 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](N)C[C@]23CCOC3)OC1(C)C 2282625373 UONWDRRWKMBXAT-GTNSWQLSSA-N 379.291 0.775 30 10 GCEE Cc1sc(C(=O)NC(CO)(CO)CO)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638316 LJYUQCWMJAJRDT-UHFFFAOYSA-N 385.291 0.110 30 10 GCEE CCC1(N)CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 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0.039 30 10 GCEE C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nn(C)cc2C#N)[C@@H]1C 349604832 FMCYQORMZICTTQ-VXGBXAGGSA-N 389.503 0.484 30 10 GCEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)c1 409779851 OQBAEIZYNVLGEE-IAQYHMDHSA-N 384.396 0.650 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 409997994 KJKDSNAELGXOBM-QWHCGFSZSA-N 383.408 0.930 30 10 GCEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 409997996 KJKDSNAELGXOBM-STQMWFEESA-N 383.408 0.930 30 10 GCEE COC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 411022647 JUJXDGCHYMZTCK-MRXNPFEDSA-N 385.468 0.877 30 10 GCEE COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 447847214 YUPJDOSIKUVCJF-HOCLYGCPSA-N 386.445 0.873 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 459883395 IIETVUIYGMZHNK-GOSISDBHSA-N 384.480 0.449 30 10 GCEE COc1cc([C@@H](C#N)NC(=O)CN2C(=O)NC(=O)C2(C)C)cc(OC)c1OC 469227111 FMYYKFXGAXZMNZ-LLVKDONJSA-N 390.396 0.724 30 10 GCEE 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0.031 30 10 GCEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H](O)CN2CCOCC2)CC1 157468034 UVXCUJRJYRDVCE-OAHLLOKOSA-N 387.440 0.621 30 10 GCEE CC/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 261612328 GBLAZTBIFDBKCR-MWDXBVQZSA-N 384.546 0.733 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 273409445 KGNWIXCNMPCAGP-NSHDSACASA-N 389.861 0.582 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 273467759 XDALGBMVXVOTAT-GXTWGEPZSA-N 383.470 0.755 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)C1=O 275548019 GBTSPWCEFCPQRV-JSGCOSHPSA-N 389.412 0.216 30 10 GCEE C=CCN1CCC(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 280114374 CTTWZLUCTHCAIH-GOSISDBHSA-N 378.473 0.369 30 10 GCEE CN(C)c1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 283431547 CKCBONGVZCEVGC-UHFFFAOYSA-N 392.463 0.984 30 10 GCEE Cn1cc(CCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 288572349 UPOHGBKFVUIZAA-UHFFFAOYSA-N 381.440 0.084 30 10 GCEE CCC(=O)N1CSC[C@H]1C(O)=Nc1cnn(CC(=O)N2CCN(C)CC2)c1 329076580 AWBITONAVLRKFA-AWEZNQCLSA-N 394.501 0.557 30 10 GCEE CCNC(=O)[C@H](C)/N=C(/O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 330538388 UMXPORXQBBBKCK-ZDUSSCGKSA-N 383.470 0.845 30 10 GCEE CCN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349476718 CYJRDQJDXWFIAT-CYBMUJFWSA-N 399.494 0.821 30 10 GCEE N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)NC1C[C@H]2C[C@@H]2C1 349545910 SAADPZVESLRWNB-CHWSQXEVSA-N 384.483 0.803 30 10 GCEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCc2nn(CC)c(=O)cc2C1 363311227 SNCCOMKUSVUEKW-UHFFFAOYSA-N 398.394 0.938 30 10 GCEE Cn1cc(C#N)cc1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 434000545 BDQUYSFODWGQOK-INIZCTEOSA-N 394.497 0.248 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](NC(N)=O)C3)CC2=O)cc1Cl 450296203 CYQRUEURESZQOY-RYUDHWBXSA-N 375.816 0.834 30 10 GCEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 455271794 JPGSMRWDSIAIDW-IKGGRYGDSA-N 379.505 0.937 30 10 GCEE CCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 472729723 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C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cnn(C(C)C)c2)CC1 554095827 HQZNXFVKTRQMJE-HNNXBMFYSA-N 390.488 0.088 30 10 GCEE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 577636950 CLWLSZULJJGTLP-ZFWWWQNUSA-N 383.470 0.111 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 579127418 ANRQLCVVWFYGMW-JYAVWHMHSA-N 399.494 0.532 30 10 GCEE CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1 584730117 JSCIFECRJBGDHA-SRVKXCTJSA-N 375.472 0.579 30 10 GCEE CO[C@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCOC1 594760573 QZVWLDDYZNJRID-IIAWOOMASA-N 395.485 0.240 30 10 GCEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 595139177 HNRIBVIISKJLCQ-LJQANCHMSA-N 382.424 0.834 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 595155986 JESPAUWYZDQOFS-CHWSQXEVSA-N 375.425 0.997 30 10 GCEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1 595240587 IOHLWDMXKAMJIQ-BMLIUANNSA-N 395.318 0.658 30 10 GCEE Cc1cc(NCC[C@]2(O)CCOC2)c(C#N)c(NCC[C@]2(O)CCOC2)n1 596291311 CPFUQUGZJLFDJZ-OALUTQOASA-N 376.457 1.169 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 599659426 CPXCXWXFKUMFFL-XJKSGUPXSA-N 376.420 0.913 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@]23C[C@H]2COC3(C)C)cc1 600024746 UFELEKOSEHKMGL-SOZUMNATSA-N 391.449 0.995 30 10 GCEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2noc(C3CCC3)n2)c1=O 600608856 YZUNZXBPFSNDID-UHFFFAOYSA-N 387.396 0.922 30 10 GCEE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C(=O)N1c1cnn(C)c1 610269915 RNMGLJJIRAMUTD-BONVTDFDSA-N 377.401 0.903 30 10 GCEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610421250 ICNQUBQEWIGLGY-OAHLLOKOSA-N 387.415 0.865 30 10 GCEE N#CCN1CCC(NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 619757320 UPPOYLTUNAGYPM-QGZVFWFLSA-N 385.468 0.953 30 10 GCEE C=CC[C@@H](CO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 647525340 RETCFAMTBZYUBZ-ZDUSSCGKSA-N 376.500 0.237 30 10 GCEE C#CCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 731213379 AQLOFRHNNHEOHY-ZWKOTPCHSA-N 394.468 0.848 30 10 GCEE N#Cc1cc(S(=O)(=O)Oc2cccc(C(=O)NCC(N)=O)c2)ccc1F 734497171 BVNAUKVQRZMANP-UHFFFAOYSA-N 377.353 0.680 30 10 GCEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H]2SC(=N)NC2=O)cc1 742606567 MPOGAZZNEOMEIZ-VXGBXAGGSA-N 389.462 0.955 30 10 GCEE C#CCOc1ccc(C(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)cc1 744111297 FCZCRTNTZVVRDG-OAHLLOKOSA-N 380.422 0.701 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)n1 760777795 FKXRQHFDMKHTBU-UHFFFAOYSA-N 398.448 0.099 30 10 GCEE C#CCN(C(=O)Nc1ccc(C(=O)N(C)OC)cc1)[C@H]1CCS(=O)(=O)C1 774046377 AUZKGYRUCXKBJU-HNNXBMFYSA-N 379.438 0.974 30 10 GCEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CC#C)[C@H]1CCS(=O)(=O)C1 783480384 QJVFKPGOBOTHJT-AWEZNQCLSA-N 392.408 0.425 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CC1 784920636 GNTRPWKWMFEYBO-UHFFFAOYSA-N 379.413 0.928 30 10 GCEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 790850677 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CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCOC[C@H]2CC(N)=O)CC1 848212093 BNZHFZDSDRDFMR-OAHLLOKOSA-N 379.457 0.740 30 10 GCEE N#CCCCC[C@@H](N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 848397496 DEABKUVOBBMYTL-OAHLLOKOSA-N 389.481 0.691 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1C)C1CCOCC1 850689047 JKVOYTUJQJOIOV-INIZCTEOSA-N 387.436 0.603 30 10 GCEE O=C1Nc2cc(N3CCOCC3)ccc2C1=NN[C@@H]1CCCS(=O)(=O)C1 863129775 NMRJWYFZQMKUFN-GFCCVEGCSA-N 378.454 0.346 30 10 GCEE C#CC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 863793697 GNUFEGFCTZVKEE-CVEARBPZSA-N 380.466 0.912 30 10 GCEE C#C[C@H](CO)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 867340208 WWYHUQUNYVEFHD-QGZVFWFLSA-N 380.466 0.949 30 10 GCEE C#CCN(C(=O)NC[C@@H]1CC(=O)c2ccccc2O1)[C@H]1CCS(=O)(=O)C1 876187177 DDCFQHDRTAOLRM-KBPBESRZSA-N 376.434 0.852 30 10 GCEE C#CCN(C(=O)C(=O)N1CCc2nnn(C3CC(C)C3)c2C1)C1CCN(C)CC1 910886032 JHJYHCWUNMQGDV-UHFFFAOYSA-N 398.511 0.690 30 10 GCEE C[C@H]1CN(C(=O)[C@H](F)C(=O)N2C[C@H](C)N(CC#N)[C@H](C)C2)C[C@H](C)N1CC#N 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383.448 0.197 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)nn1 1118175958 JKVQQIXYRRMNTK-CYBMUJFWSA-N 379.486 0.641 30 10 GCEE C#CCSCCNC(=O)C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1119819408 KQXOYADBAPUMOH-ZSOGYDGISA-N 381.498 0.698 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1119907227 LPPSEMWOYUIFSW-QGZVFWFLSA-N 399.472 0.542 30 10 GCEE C#CCN1CCN(c2nnc(-c3ncc4ncccn34)n2C[C@H]2CCCO2)CC1 1122923290 LZPUPGMVIZCWAY-MRXNPFEDSA-N 392.467 0.922 30 10 GCEE C#CCN(CC(=O)N(CCN1CCOCC1)CC(=O)OC)C(=O)OC(C)(C)C 1136636633 HRDMSSQSSZOPLE-UHFFFAOYSA-N 397.472 0.191 30 10 GCEE C=CCn1cc(CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nn1 1142658722 BBNNOZDCLSBROW-HNNXBMFYSA-N 394.476 0.746 30 10 GCEE C=C(C)C[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1282669926 BXSRVXJQCLGUJE-UKMLZYKCSA-N 375.473 0.741 30 10 GCEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286335267 AHQAONHPBFBUSI-HZPDHXFCSA-N 384.484 0.919 30 10 GCEE 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N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CCO1 1331072416 VYLLMMDNEKNLDQ-HZPDHXFCSA-N 394.435 0.929 30 10 GCEE C#CCSCCNC(=O)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 1331280601 UHPQYVHTZSLOEH-MRXNPFEDSA-N 375.494 0.868 30 10 GCEE COc1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)cc1S(N)(=O)=O 1335384239 ZKAVJXDAOMOOQY-CQSZACIVSA-N 383.470 0.504 30 10 GCEE C=CCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339069062 LOIMTCBKMSNGHG-UZLBHIALSA-N 398.515 0.801 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3C[C@H](O)CN3C)n2CC)n1 1341298520 JVSSLORHDNEXRY-DLBZAZTESA-N 387.488 0.518 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](CC(N)=O)C2)nnc1C1(OC)CCOCC1 1341850277 MHGAIAHTRHHKJD-CQSZACIVSA-N 379.461 0.587 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)C1 1349844493 HHCAWCFQEOEDDQ-QGZVFWFLSA-N 376.501 0.261 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn(C)c3ncccc23)C1=O 1352385479 JVEARMUFBDAVKQ-MRXNPFEDSA-N 383.452 0.477 30 10 GCEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359341788 HPMARBAMOZUGBW-RDBSUJKOSA-N 390.513 0.863 30 10 GCEE C=CCC[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)OCC 1449723529 CPEZZKPZEDQOIF-AWEZNQCLSA-N 387.433 0.899 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCNC2=O)c1 1464260588 LHZPECVSCMRDSR-DUHXBFFASA-N 378.454 0.964 30 10 GCEE C=CCOCC(=O)NCCC1=CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1488995435 WACSROUTXSHXKG-JENIJYKNSA-N 378.469 0.906 30 10 GCEE CO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1505113536 YRBASPAHMSUOOL-JSGCOSHPSA-N 391.453 0.918 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507635688 YPBLJCGXBYUYNR-KSSFIOAISA-N 392.481 0.968 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1521917770 UUPDDDJBDGPNQU-IIVZCXTMSA-N 387.484 0.957 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCCC(=O)NC)C2 1522383817 LRDVWSOSMDHNKN-QOIOWGMHSA-N 377.485 0.991 30 10 GCEE Cc1nc([C@@H]2CCOC2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538310021 NFAGAUIFYNNQSM-WQGACYEGSA-N 381.479 0.966 30 10 GCEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)NCC)CC1 1540870654 SMOLLDOVCLUGIB-UHFFFAOYSA-N 375.477 0.699 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1540904063 JWDMCCJPAPHLGY-UHFFFAOYSA-N 383.518 0.746 30 10 GCEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(O)c2)CCO1 1555994196 GFASMMYKVZHOTN-INIZCTEOSA-N 382.424 0.883 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)c1 1556191368 DOCJEHXUMYZOPJ-SFHVURJKSA-N 399.472 0.685 30 10 GCEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1558832789 SRTZADGXMZZRJJ-VXGBXAGGSA-N 389.412 0.144 30 10 GCEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1587312640 CWFKFFHZXORXTJ-QGZVFWFLSA-N 398.444 0.780 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)c1 1626188664 GERXBELCBYMVRS-SNVBAGLBSA-N 393.400 0.966 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1634787724 WOXSPSQWQNOVEY-ZIAGYGMSSA-N 387.502 0.963 30 10 GCEE C=C(C)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)OC 1635630431 KWUKLHHCOAQHLP-DGCLKSJQSA-N 386.474 0.328 30 10 GCEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCN(O)C3=O)CC2)cc1 1636352042 BIYOWRCXHOCUEB-MOEXGYKKSA-N 388.424 0.006 30 10 GCEE CN1CCn2nc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc2S1(=O)=O 1642543056 KAQBMMXBTPYBSS-UHFFFAOYSA-N 386.437 0.325 30 10 GCEE CC(C)Cn1c(N)c(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)c(O)nc1=O 1648473771 QFFQKDCHWSPJAY-UHFFFAOYSA-N 390.440 0.708 30 10 GCEE COc1ccc(N2CCN(CCNc3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1 1651443927 ISFOFGWWPVBDDN-UHFFFAOYSA-N 384.440 0.188 30 10 GCEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)cc1 1652099990 MFSVCKNSEMCGLL-LLVKDONJSA-N 376.800 0.405 30 10 GCEE C=CCCn1cc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)nn1 1663556237 RHTFNIBMGISOTO-UHFFFAOYSA-N 377.426 0.455 30 10 GCEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)OCC 1663975268 CPNYSLIAXYVBMQ-AWEZNQCLSA-N 382.438 0.985 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(C)(=O)=O)ccn2)n1 1672200830 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CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)CC#N)CC1 2118166368 DZOGGOCPLNFULI-ZDUSSCGKSA-N 386.474 0.383 30 10 GCEE CC1(C)OB(c2cnc(N3CCN(S(C)(=O)=O)CC3)c(F)c2)OC1(C)C 2143435894 XXGRDLMGQGGYSA-UHFFFAOYSA-N 385.270 0.602 30 10 GCEE Cc1ncnc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2172774174 LNJMSRLASBFSSI-CHWSQXEVSA-N 379.291 0.708 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)=C[C@H]1O 2188168140 FVENHGIBRXAXKF-ARFHVFGLSA-N 376.457 0.769 30 10 GCEE Cc1cc(S(=O)(=O)NN2CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2267358728 HIVYCOBBYGGLMW-UHFFFAOYSA-N 388.320 0.881 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2COCCO2)OC1(C)C 2267371167 WNEFSSJOXGHOGN-NSHDSACASA-N 389.304 0.741 30 10 GCEE Cc1nc(S(=O)(=O)NCC(C)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1C 2267719139 CZIMZOABJBPDNB-UHFFFAOYSA-N 379.238 0.961 30 10 GCEE C=C(CS(=O)(=O)N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2267721984 VAIRKOQGLQZQKZ-QWHCGFSZSA-N 393.336 0.917 30 10 GCEE 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CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 471898737 KXYGNSJMBUOYIS-UHFFFAOYSA-N 384.889 0.996 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(OCC(=O)OC)c2)CC1 516247590 OBOLRNSXZIYZNU-UHFFFAOYSA-N 375.425 0.298 30 10 GCEE CN(CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 530060452 JRUJPMIZKGNQSR-QGZVFWFLSA-N 391.493 0.799 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 536542020 LOLQUCHSYBIJJL-UHFFFAOYSA-N 397.483 0.648 30 10 GCEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 558670740 CMKOFTGAKHOQFP-OAHLLOKOSA-N 390.488 0.678 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 563549324 GQGVHKQWEZXSHN-UUIJZJDISA-N 385.467 0.190 30 10 GCEE N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 564183128 XSBIRHYGZOBMQB-ZDUSSCGKSA-N 379.367 0.442 30 10 GCEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CC1 565229493 FVAYGIALLOZVKH-INIZCTEOSA-N 399.494 0.678 30 10 GCEE C=CCNC(=O)CN1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 566300897 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C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 907186353 ICUKVNXVYBFFKT-UHFFFAOYSA-N 399.490 0.799 30 10 GCEE COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916871661 YOEUHUSKYNSGNC-ZDUSSCGKSA-N 378.429 0.445 30 10 GCEE C#CCN1CCC[C@H](NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)C1 923565189 FNGJTGOICZHRCM-ZDUSSCGKSA-N 383.452 0.022 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@]4(CCCCN4)C3)CC2)cc1 926288042 YOVYUQDBIVMBMQ-QFIPXVFZSA-N 395.507 0.947 30 10 GCEE CCO[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)CN(C)C 926840258 PPBABXZZHMTDDK-GJZGRUSLSA-N 375.477 0.535 30 10 GCEE Cn1ccnc1CN1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 931593984 LVGVJARHQBPSCH-UHFFFAOYSA-N 384.415 0.391 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1OC 941975222 IIHZHJAMFJFWAQ-LHHMISFZSA-N 389.452 0.322 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@H]1OC 941975639 ROHNWFNNJWZWOU-HWMZRRJGSA-N 375.425 0.724 30 10 GCEE 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CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C(F)(F)CO)nn1 1543118263 CMEMTNUXHTUZHR-UHFFFAOYSA-N 378.383 0.895 30 10 GCEE N#Cc1ccc(F)cc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1559125150 FEVOLPGJPDLXBT-AWEZNQCLSA-N 387.458 0.336 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CS(=O)(=O)CC)s1 1565725169 MJACOYVTMALTIG-NSHDSACASA-N 394.540 0.694 30 10 GCEE C#CCN1CCCN(C(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)CC1 1565815089 VFSBJJYVUKALFQ-UHFFFAOYSA-N 382.350 0.494 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CS(C)(=O)=O)s1 1585979185 VNRJMSUIHALJNF-JTQLQIEISA-N 380.513 0.304 30 10 GCEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(C)(=O)=O)CC2)N(C)[C@H]1C 1614153282 HQIZOQNPAKLDHL-BMKZZQPOSA-N 391.515 0.539 30 10 GCEE COC(=O)c1ccn(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1626694779 IFVSCERGXGIWPV-HNNXBMFYSA-N 381.392 0.459 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)CN3CCCC3=O)n[nH]2)c1C 1630311235 LRNRXLSWNPHWNP-CQSZACIVSA-N 386.456 0.789 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)NC)s1 1630803644 MKGJBIICUAGDPW-OLZOCXBDSA-N 385.511 0.786 30 10 GCEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](CC#N)C(F)(F)F 1635288111 HBUZCDVKEOPUEL-ZANVPECISA-N 376.335 0.563 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3C(=O)NCC34CCOCC4)CC2=O)cc1 1645166741 CXSPOZTWDKDENT-YOEHRIQHSA-N 382.420 0.323 30 10 GCEE N#C[C@]12CN(C(=O)c3ccc(N4CCC(O)CC4)cc3)C[C@H]1CS(=O)(=O)C2 1648155816 OWZNWTSYNLYXNM-HNAYVOBHSA-N 389.477 0.658 30 10 GCEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072617 HPVQGXCKKYQGDL-NEULZYRMSA-N 385.486 0.932 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCCC)nc2)CC1 1660937929 YJIWCIIREXSGNS-UHFFFAOYSA-N 395.485 0.878 30 10 GCEE C#CCN(C(=O)NCCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1681396011 AMAFUPAZLOAYJW-ZDUSSCGKSA-N 395.872 0.757 30 10 GCEE C[C@@]12CN(C(=O)CC#Cc3ccccc3)C[C@@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1685573532 OEOIWHDGQWOHKU-QLDGJZPUSA-N 379.460 0.857 30 10 GCEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc(OC)cc(OC)n1 1686134651 MNTKCLVEJBICHQ-UPJWGTAASA-N 376.413 0.558 30 10 GCEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1689961468 YWXWAHCHBWJJTA-UHFFFAOYSA-N 393.451 0.740 30 10 GCEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C)C1=O 1690025227 JGKSMIWHJMZHKU-FQEVSTJZSA-N 379.468 0.691 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1690077124 JFRIZDLZANQNON-AWEZNQCLSA-N 395.529 0.802 30 10 GCEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cncn2)CC1 1705781233 TZAWCKNPSKZGSV-ZDUSSCGKSA-N 394.505 0.582 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1705811769 KIWYNOKBTRZXMV-KBPBESRZSA-N 387.506 0.706 30 10 GCEE C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1nnc(O)nc1O 1719927793 DUVOHKWWXGEYBQ-BNOWGMLFSA-N 375.429 0.820 30 10 GCEE C#CCN(C(=O)Cn1ccnc1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1722165334 BOJXNNRFIGUWKP-GJNTUIEKSA-N 382.464 0.759 30 10 GCEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nncn1CC 1722426416 BSUSDLWXACIBAA-UHFFFAOYSA-N 386.460 0.146 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCOCC2(CC2)C1 1722692766 WDDYBWHPKHLXGA-UHFFFAOYSA-N 388.472 0.433 30 10 GCEE C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](COC)OC)nn1 1740291546 QRKLPYQJEQPRIF-VRKREXBASA-N 377.445 0.377 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1740538784 PIIMOHUXMLAFAF-KFKAGJAMSA-N 377.489 0.455 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740942828 LYUGPUWQSLXZQZ-YOEHRIQHSA-N 398.533 0.375 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1749051567 JSDSLOLXYIVGTK-GDIGMMSISA-N 375.473 0.948 30 10 GCEE C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@]2(C)C1 1757581567 RDFRRYKCSTVBQZ-LXGFNABISA-N 384.480 0.870 30 10 GCEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1760162909 JOBZBNCCDVHOJS-KBXCAEBGSA-N 391.497 0.865 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760519072 QMOJPGVFWQHZEF-CYBMUJFWSA-N 393.469 0.772 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1761360356 KXLFGLHBJUSEQB-FZMZJTMJSA-N 385.432 0.179 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1763224098 BZLKRRFZZNSCBH-JKSUJKDBSA-N 389.504 0.973 30 10 GCEE Cn1[nH]c(=NC(=O)c2[nH]ncc2C#N)nc1N1CCN(c2ccc(F)cc2)CC1 1852063139 FRKAOGQHCAKCEL-UHFFFAOYSA-N 395.402 0.550 30 10 GCEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)C2)c1=O 1853285434 FZJYZNGHWKTMEQ-HNNXBMFYSA-N 392.419 0.783 30 10 GCEE CN(CCC#N)[C@H]1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1=O 1856466275 PKUXPIXKPPTVNK-INIZCTEOSA-N 377.466 0.996 30 10 GCEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)C3CN(c4ncc(F)cn4)C3)C1=O)CC2 1856532780 YZPDYJARKWIBND-GDBMZVCRSA-N 398.442 0.805 30 10 GCEE CN(C(=O)c1cn(C2CCSCC2)nn1)C1CN(c2nccnc2C#N)C1 1891024914 QCORCUDHXDLTEY-UHFFFAOYSA-N 384.469 0.969 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N[C@H](CCS)C(=O)O 2059826973 CLHBYTPHNIUQBX-BDAKNGLRSA-N 390.487 0.863 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1 2112873976 IZLWEPXSVMCNOE-CYBMUJFWSA-N 386.470 0.573 30 10 GCEE COCC1(NS(=O)(=O)c2cccnc2C#N)CN(C(=O)OC(C)(C)C)C1 2134116193 PPUJITRULAPNFQ-UHFFFAOYSA-N 382.442 0.867 30 10 GCEE COC(=O)C1(NS(=O)(=O)c2cccc(C#N)c2)CN(C(=O)OC(C)(C)C)C1 2174788691 HRIWXKWQKLRFED-UHFFFAOYSA-N 395.437 0.999 30 10 GCEE C#CCN(CC(=O)O)C(=O)C1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2208672453 UWBNDIVJGXCOAU-UHFFFAOYSA-N 379.457 0.864 30 10 GCEE CN(C)S(=O)(=O)c1nccn1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2235515911 JIXAXQZFNSVIJU-UHFFFAOYSA-N 398.319 0.937 30 10 GCEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2237775900 MXBXGJXMUJDLFH-WRSAYESZSA-N 375.429 0.987 30 10 GCEE CC1(C)OB(c2ccc(NC(=O)CNS(C)(=O)=O)c(F)c2F)OC1(C)C 2239844872 VBHVHWYJUFASJP-UHFFFAOYSA-N 390.217 0.752 30 10 GCEE CCn1ncc(NS(=O)(=O)N2CC(C#N)C2)c1I 2254140077 NKAOCXWZXVOWSJ-UHFFFAOYSA-N 381.199 0.620 30 10 GCEE C=CCCC1(C(=O)NCCCNS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2266225373 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CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@]23CNC[C@H]2C3)OC1(C)C 2282423893 UVRKYEWQGIZRAM-FZKQIMNGSA-N 378.303 0.874 30 10 GCEE CCOC(=O)CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282509501 LIOXLXIGDUANPS-UHFFFAOYSA-N 387.238 0.966 30 10 GCEE CN1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282512810 VVNGTCKMOINTQS-GFCCVEGCSA-N 384.311 0.092 30 10 GCEE Cc1c(C(=O)NCCCS(C)(=O)=O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553748 TUUQMWAJMDKNTL-UHFFFAOYSA-N 385.295 0.192 30 10 GCEE Cn1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282592283 AXNIHWMCOWCALJ-INIZCTEOSA-N 383.279 0.026 30 10 GCEE COCC(O)(CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)COC 2282622776 KTTGZKXVQAYDOX-UHFFFAOYSA-N 385.291 0.801 30 10 GCEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1csc(=N)[nH]1 2282698366 BLGAXOHWTMGOAN-QMMMGPOBSA-N 378.267 0.474 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN[C@H]4C[C@@H]43)cc2F)OC1(C)C 2282829257 BZOOPFJOBRRAMX-GJZGRUSLSA-N 382.266 0.860 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN[C@@H]4C[C@H]43)cc2F)OC1(C)C 2282829258 BZOOPFJOBRRAMX-HUUCEWRRSA-N 382.266 0.860 30 10 GCEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC2[C@H]3CNC[C@H]23)OC1(C)C 2282833866 LRKRSVVEWUWZKS-KBPBESRZSA-N 378.303 0.623 30 10 GCEE CON([C@H]1CCOC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282861315 MLBACRXZWLQSRS-ZDUSSCGKSA-N 384.263 0.722 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3CN)c2)OC1(C)C 2282861321 MMWILQZZBSEEPT-KBPBESRZSA-N 382.291 0.068 30 10 GCEE Cn1cnnc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282862869 JNNUDEBMGJWKKE-UHFFFAOYSA-N 378.263 0.593 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](O)[C@@H](CC(=O)O)C2)OC1(C)C 2284382609 SKWTZWYPSDORTA-GXSJLCMTSA-N 382.247 0.350 30 10 GCEE C[C@H](CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284394167 VLYPJKODVJBQOA-SNVBAGLBSA-N 387.267 0.061 30 10 GCEE C=C(CS(=O)(=O)N1C[C@H]2COC[C@]2(C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2284418175 UZCWZHLOKSHGHU-BLLLJJGKSA-N 387.263 0.537 30 10 GCEE Cc1nc(C(=O)N[C@@H](CN(C)C)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284424348 GXLOEGUTTYOEOV-JTQLQIEISA-N 383.279 0.495 30 10 GCEE CC1(C)OB(c2ccc(CNC(=O)CNS(C)(=O)=O)c(F)c2)OC1(C)C 2285186826 VNNLXAAUDGMLOW-UHFFFAOYSA-N 386.254 0.290 30 10 GCEE C#CCNC(=O)CCNC(=O)c1ncn2c1CN(C(=O)OC(C)(C)C)CC2 2286552909 SPVPWJHAMMXIBP-UHFFFAOYSA-N 375.429 0.503 30 10 GCEE Cn1cc([C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)cn1 2342032490 KRTJTHUFUQZTKZ-KBPBESRZSA-N 382.486 0.894 30 10 GCEE C[C@H](C(=O)O)N1CC(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362569091 LJBCNAJLMGKHQO-SECBINFHSA-N 381.263 0.329 30 10 GCEE Cc1nc(NS(=O)(=O)CCOCCF)ncc1B1OC(C)(C)C(C)(C)O1 2365579556 JCTWLJMYHRMWSJ-UHFFFAOYSA-N 389.258 0.812 30 10 GCEE C[C@@H](C#CC(=O)O)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1 2366821125 NBRMKIVNSYXJOD-STQMWFEESA-N 376.413 0.843 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 51148301 CNWMTDWIVCFLKP-IBGZPJMESA-N 399.539 0.549 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 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30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H]2[C@H](CCN2C)C1 1356618621 OXEQVPJGHKACKL-QLFBSQMISA-N 380.518 0.749 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nnnn1CC1CC1 1359024920 YSGPOGMUQRYOMF-HNNXBMFYSA-N 386.460 0.313 30 10 GCEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359216512 XSGRWOWAIHJWHV-UONOGXRCSA-N 397.501 0.098 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(S(=O)(=O)NC)CC2)c1 1460166924 QNFXVKFTVZWXTB-UHFFFAOYSA-N 378.454 0.330 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 1475937541 BUARDUGYFBBIKV-UHFFFAOYSA-N 381.414 0.520 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCn1cc(CO)nn1 1507667149 OGMOGQSHYCAKPZ-UHFFFAOYSA-N 390.451 0.977 30 10 GCEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCNS(C)(=O)=O 1507692252 QFNUDXGYCIZYRP-UHFFFAOYSA-N 382.515 0.643 30 10 GCEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 1507902400 JQSJFQALQSVOOS-JKSUJKDBSA-N 396.513 0.998 30 10 GCEE C=CCn1c(-c2c[nH]c3ccncc3c2=O)nnc1N1CCN2CCOC[C@@H]2C1 1520197703 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GCEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NOc1cccc(C#N)c1 1557920985 KPMLLQJLDIBFLH-QMTHXVAHSA-N 381.435 0.758 30 10 GCEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cn1C 1585431281 BCXIBYOAWVXUPO-QGZVFWFLSA-N 395.485 0.270 30 10 GCEE CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1585953207 LSHWFOBFJMYIGM-JTQLQIEISA-N 376.431 0.676 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCOC 1588233847 SKYLWAKQZQXQPW-MRXNPFEDSA-N 394.497 0.306 30 10 GCEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCCn1cc(CO)nn1 1588420633 JETZUSVJOLWZSF-UHFFFAOYSA-N 380.456 0.898 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC(=O)N2)n1 1588724032 STPLWQPHVZLBGO-OAHLLOKOSA-N 385.472 0.602 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)OC)[C@@H]3C[C@H]23)c1 1597141787 SUDBGGQLFGRSFS-QXSJWSMHSA-N 376.434 0.526 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C(F)(F)F)no2)cc1 1633781994 HZHQHUJXXBFLTR-UHFFFAOYSA-N 389.315 0.555 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1633884253 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30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1703020672 CHDKOGNHQCZCLI-OAGGEKHMSA-N 379.457 0.076 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1719451415 GTBBZNWPCXQZFY-FZKCQIBNSA-N 377.485 0.895 30 10 GCEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722322811 WAILNKUXCSZAGL-HUUCEWRRSA-N 389.456 0.288 30 10 GCEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1722335164 BVJGKVXLXVHPAW-AWEZNQCLSA-N 379.486 0.656 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)CC(F)(F)F 1722382378 YSVJQFOJAAWLQP-CYBMUJFWSA-N 382.390 0.796 30 10 GCEE C=CCOCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1733394222 FEVZLOPFVNVJPF-NADOGSGZSA-N 375.513 0.831 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1740964851 WEFXUUKEFWVGAI-UHFFFAOYSA-N 385.490 0.130 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1741123738 AOZQQVBEDCHCOH-OLZOCXBDSA-N 384.506 0.911 30 10 GCEE CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1745784256 HFNPEXXGHZTPIX-LSDHHAIUSA-N 376.461 0.817 30 10 GCEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1760195202 YVCASEPUZQYERC-HNNXBMFYSA-N 392.529 0.445 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760530037 JQZBYJXCGHXELS-FZKQIMNGSA-N 390.444 0.463 30 10 GCEE C=CCN(C(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)[C@H]1CCN(C)C1=O 1852498427 GZHYCDYKYQAIOD-HOTGVXAUSA-N 379.482 0.392 30 10 GCEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C)n(C)n2)C1=O 1854131656 OSXUJIRPSSLZSR-SJORKVTESA-N 387.484 0.969 30 10 GCEE CN1C[C@H](C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)CC1=O 1854291577 NXDSLJXLOGPRRM-CJNGLKHVSA-N 397.435 0.012 30 10 GCEE C=C1CCCN([C@@H]2CCN(C(=O)Cn3nnc4ccccc4c3=O)C2=O)CC1 1854738522 VOBQBHAQVFSNBM-QGZVFWFLSA-N 381.436 0.961 30 10 GCEE Cc1cc(C)n(CCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)c(=O)n1 1855840208 HGALWEYRWSHAOV-QGZVFWFLSA-N 385.468 0.861 30 10 GCEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CC1=O 1855843696 PTIUIBFUTBMNME-HZPDHXFCSA-N 396.513 0.411 30 10 GCEE C[C@H](CCC#N)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)[C@H]1C 1856259367 LOQAQMLNQBOLME-HUUCEWRRSA-N 396.451 0.933 30 10 GCEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2=O)CC1 1857066185 ICAZVVOWXXOURE-NVXWUHKLSA-N 383.452 0.629 30 10 GCEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2c(C)cnn2C)C1)[C@@H]1CCN(C)C1=O 1857080376 MJWYIMDBIFDJHB-HZPDHXFCSA-N 387.484 0.826 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C(=O)C2)cc1 1857367510 DQLMMOPFRRGPNI-QGZVFWFLSA-N 394.435 0.671 30 10 GCEE C=CCOc1cn(CCCN(C)C)c(CN2CCN(CCO)CC2)cc1=O 1870385729 KGNSRSYCZBFDOC-UHFFFAOYSA-N 378.517 0.475 30 10 GCEE C=CC1(NS(=O)(=O)c2cnn(CC(=O)O)c2)CN(C(=O)OC(C)(C)C)C1 1885016093 JALHXTWGWMQKHI-UHFFFAOYSA-N 386.430 0.422 30 10 GCEE C=CCNC(=O)[C@H](C)S(=O)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2074762598 IPQGSWRYWCXLOM-WDEREUQCSA-N 378.447 0.460 30 10 GCEE NCC#Cc1cc(F)cc(F)c1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 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COCCNC(=O)CN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282524561 DPHGCSKPHJKSKP-UHFFFAOYSA-N 383.279 0.277 30 10 GCEE Cn1nc(C(=O)N[C@@H]2CCNC[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282547569 QWUQJSOHBXHWRH-NXEZZACHSA-N 386.664 0.803 30 10 GCEE Cc1nnc(CCNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)s1 2282555262 QMIFQXZYZVUWPX-UHFFFAOYSA-N 377.279 0.852 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N3CC[C@H](O)[C@H](O)C3)c(Cl)c2)OC1(C)C 2282610094 QPBNYBOJMIYLFY-QWHCGFSZSA-N 382.653 0.602 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCO[C@@H](CF)C2)n1 2282845809 ZMVGBIRHGAYHSA-NSHDSACASA-N 389.258 0.078 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC[C@@H]1N 2282854769 VVEWIOIWNCHNDT-NEPJUHHUSA-N 384.311 0.077 30 10 GCEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCOC1 2282855070 ZBILDOPPQGSKRE-RYUDHWBXSA-N 385.295 0.423 30 10 GCEE C[C@@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C 2282867645 BOESXFUTOGGRBZ-DGCLKSJQSA-N 384.311 0.090 30 10 GCEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NC[C@H]2CCN2)OC1(C)C 2282870244 PDQWWOHTTGRHQJ-LLVKDONJSA-N 388.245 0.904 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)[C@H]1C 2282871679 KPGUFWWDTOEJKR-DGCLKSJQSA-N 383.275 0.748 30 10 GCEE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2284461846 YHUDVINXTBHFET-NXEZZACHSA-N 382.247 0.191 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H](O)[C@H](CC(=O)O)C2)OC1(C)C 2284471864 WQVVMEWZFRNCOC-MWLCHTKSSA-N 382.247 0.350 30 10 GCEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccnn1C1CC1 2342019262 PUAOMLBBWYMFJR-HUUCEWRRSA-N 382.486 0.835 30 10 GCEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)C1CC1 2362357557 OLIYYWDBSZORAW-UHFFFAOYSA-N 383.279 0.026 30 10 GCEE COCCn1cc(C#C[C@H](N)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cn1 2366095094 VCTXYISEJNAGIF-LPHOPBHVSA-N 378.473 0.970 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 45341419 OEYRGKQMKZORJK-UHFFFAOYSA-N 381.436 0.293 30 10 GCEE C#Cc1cccc(N(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 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N#Cc1ccc(C2(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 548368395 BXOYJGFZTOWFMS-UHFFFAOYSA-N 379.420 1.284 30 10 GCEE N#Cc1ccsc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 556224409 XDJZZNXRVLBYEA-UHFFFAOYSA-N 382.467 0.585 30 10 GCEE COCc1nc2n(n1)C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)CC2 562989933 CLSUQKLZSFBYMI-AWEZNQCLSA-N 375.454 0.674 30 10 GCEE C[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)[C@H]1CO 565843371 MJXRPDLVHPZZDY-WFASDCNBSA-N 399.494 0.412 30 10 GCEE CO[C@@H](CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 569269839 YJYSYDOBJBUUJT-ZDUSSCGKSA-N 399.373 0.685 30 10 GCEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1 582665590 MHVNRWVWNUWJHY-UHFFFAOYSA-N 384.436 0.773 30 10 GCEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCOCC(N)=O)C1 592772237 BQGNZNFCLIAMRX-UHFFFAOYSA-N 381.230 0.375 30 10 GCEE N#Cc1cccc2c1CN(CC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2 593122286 FMUSTKUZSNVOLQ-QGZVFWFLSA-N 388.493 0.205 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C(C)=O)CC1(C)C 593574260 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CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)N1CCC(C#N)CC1 2317606262 TXJVVSKQLRTMLA-CYBMUJFWSA-N 376.479 0.596 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2[C@@H]3CN[C@H]2C3)OC1(C)C 2334269781 ZVYQNSMUFKLRMV-RWMBFGLXSA-N 384.332 0.827 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3CS(=O)(=O)[C@@H]3C2)OC1(C)C 2336520697 OBDPLDGMTQNGPV-GXSJLCMTSA-N 384.288 0.311 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H](F)C2=O)OC1(C)C 2340174103 BTSCDRJJHSFPND-VIFPVBQESA-N 390.267 0.843 30 10 GCEE CN1C(=O)O[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2362574260 JLKUVIRFSYOGER-GHMZBOCLSA-N 379.247 0.717 30 10 GCEE C#Cc1cnn(C2CN([C@]3(C(=O)O)COC[C@H]3NC(=O)OC(C)(C)C)C2)c1 2374578676 CJMOBFNWCRHWHM-RDTXWAMCSA-N 376.413 0.468 30 10 GCEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OC)cc1 13991277 WCEZXUOVVQPHMM-UHFFFAOYSA-N 385.467 0.917 30 10 GCEE CNC(=O)[C@@H](C)CN(C)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 81579867 CBWYWGFKAORXJC-AWEZNQCLSA-N 375.448 0.660 30 10 GCEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 246550358 WAEUSGATUQVCQW-SNVBAGLBSA-N 395.876 0.943 30 10 GCEE N/C(=N/CC(=O)N[C@@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1 261618620 BOJNQVDNUFVIGY-MRXNPFEDSA-N 395.467 0.553 30 10 GCEE CS[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1N1CCCC1 275225808 DGOVJWNJHMOJFX-QCKMOMRKSA-N 378.498 0.941 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 279934571 GQXYUARYFMLDJH-JXFKEZNVSA-N 381.436 0.975 30 10 GCEE Cc1cc(N2CCC[C@@H](/N=C(/O)N3CCC(N(C)CCO)CC3)C2=O)n(C)n1 330061694 AEVRHZGZFKESDW-MRXNPFEDSA-N 392.504 0.526 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](C4CC4)C3)n2)cc1 372369883 RQCIXYNNABHPRB-INIZCTEOSA-N 380.408 0.774 30 10 GCEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 409506024 FABFKBOYBXYPDR-HNNXBMFYSA-N 385.534 0.247 30 10 GCEE CC(=O)NCCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H](C)C(=O)OC(C)(C)C 409904849 FTUSDKPYBVQRQQ-RYUDHWBXSA-N 378.433 0.406 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1=O 422558967 BOQYLZWGHVHXTL-WBVHZDCISA-N 388.443 0.766 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 425593405 XQWDKJIDTNMSBF-WFASDCNBSA-N 396.469 0.424 30 10 GCEE C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 437397801 QFYASSCIMPHSHX-NSHDSACASA-N 382.417 0.922 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)CNS(C)(=O)=O)cc2C1=O 452533373 MUMWDCCIGJONBV-GFCCVEGCSA-N 379.438 0.526 30 10 GCEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 459907433 ABMYPOUSVGTOID-QGZVFWFLSA-N 397.479 0.724 30 10 GCEE CNC(=O)c1cc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1C 460792353 IIBJVQJQRYSZME-UHFFFAOYSA-N 399.436 0.946 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(CCO)c2-c2ccccc2)CC1 474420261 ZOQPSNLZVLXWAV-UHFFFAOYSA-N 397.479 0.602 30 10 GCEE Cc1ncc(S(=O)(=O)NCCS(=O)(=O)NCc2ccccc2)cc1C#N 489124791 PZOITFWHRVDOJT-UHFFFAOYSA-N 394.478 0.660 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)c1c(F)cccc1F 515303968 OGXJBBGGHCLIRP-CYBMUJFWSA-N 377.369 0.787 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@]2(C)CO)c1 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30 10 GCEE N#Cc1c(F)cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1F 597044050 UTWCEQXRWATQCM-GJZGRUSLSA-N 385.392 0.064 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4nccnn4)CC3)CC2)nc1 598982329 IOHITHMEFJTZLJ-UHFFFAOYSA-N 393.455 0.639 30 10 GCEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 610184514 NINKATDPWDYZGJ-AWEZNQCLSA-N 384.440 0.839 30 10 GCEE C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 636967301 AMBYJDSPGMLQAX-SJORKVTESA-N 388.468 0.446 30 10 GCEE C=CCCCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 655998140 PCXLBCKOOBGIOC-CQSZACIVSA-N 379.457 0.773 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669332027 UXSLVODQZGFKIC-CYBMUJFWSA-N 385.432 0.122 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 669333292 OEHAYDMZLPRXOI-HNNXBMFYSA-N 386.460 0.477 30 10 GCEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732467042 UKGQCAFBSGXUSY-HEWTWTGNSA-N 399.451 0.512 30 10 GCEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC[C@@H]1C 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30 10 GCEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N(CCC#N)CCN1CCOCC1)C2 819202548 LOOPUUDCKKMEMZ-BBWFWOEESA-N 378.473 0.928 30 10 GCEE Cc1nn(C)c(N2CCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 822956672 NFCQIDMDCIMTPU-OAHLLOKOSA-N 392.504 0.950 30 10 GCEE C#CCN(C(=O)NCC1(N)C2CC3CC(C2)CC1C3)[C@@H]1CCS(=O)(=O)C1 842013441 YTLNMVDJVKHZRV-CMPFZWEDSA-N 379.526 0.972 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC2(CC1)OCCCO2 846283055 VBNVQTBFZFVENN-QGZVFWFLSA-N 387.436 0.806 30 10 GCEE C#C[C@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)C1CCOCC1 852640387 CUTUAIAORSRTQL-FBVQUNGASA-N 376.501 0.798 30 10 GCEE C#CCNC(=O)c1ccc(N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)nc1 853770111 DSMNOKBXURVKRJ-VXGBXAGGSA-N 375.372 0.856 30 10 GCEE Cc1ccc(COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C#N 859492854 YIRGKCRXAVDAIY-CVEARBPZSA-N 376.434 0.946 30 10 GCEE C#CCN(CC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1)C(=O)OC(C)(C)C 863827220 DIGDNQIBWLALBI-AWEZNQCLSA-N 387.502 0.645 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1 867315176 XSSIWHNMZPODFM-HOTGVXAUSA-N 385.493 0.813 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2ncc(Br)cc2F)CC1 872631804 IDHRCYXSYUSVOI-UHFFFAOYSA-N 377.239 0.573 30 10 GCEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(O)(COCCO)CC3)C2)c(F)c1 899580115 BPTKCYTUHLVISQ-INIZCTEOSA-N 391.443 0.886 30 10 GCEE C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1cnn(C)c1 906552292 XXRCLKRRDXWEFU-DZGCQCFKSA-N 390.513 0.831 30 10 GCEE C#CCN(C(=O)NCC(=O)N(CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 924638848 CBJSJOJEQZQLIJ-MRXNPFEDSA-N 377.466 0.871 30 10 GCEE N#C[C@@]12CN(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)C[C@@H]1CS(=O)(=O)C2 925168528 CSTBYHVPACCAPL-KQTLUZQSSA-N 384.527 0.146 30 10 GCEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 930378444 AWIGAKJPYFJPDV-ZIAGYGMSSA-N 380.470 0.365 30 10 GCEE C#CCN(C(=O)c1cccc(S(=O)(=O)CC#CC)c1)[C@H]1CCS(=O)(=O)C1 930470929 PWXXRMRWCBPTHB-INIZCTEOSA-N 393.486 0.746 30 10 GCEE N=c1cc(N)n(N=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(S)n1 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30 10 GCEE COC(=O)C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1 763427476 SNVAQHPPJKWUSO-AWEZNQCLSA-N 382.380 0.535 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)CN(C)S(C)(=O)=O)cc2C1=O 786611320 RXXFODGLBSYXMI-NSHDSACASA-N 380.422 0.905 30 10 GCEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)N[C@](C)(C#N)C(C)C)S2(=O)=O 790026098 HJQZPBMBFUQOPD-QGZVFWFLSA-N 395.437 0.903 30 10 GCEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)cn1 797814887 FZLHOOWOBRRYCT-ZDUSSCGKSA-N 384.481 0.872 30 10 GCEE N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 799741498 QUHAEJFGCXBKPV-MRXNPFEDSA-N 395.387 0.965 30 10 GCEE COCCn1c(-c2cc[nH]n2)nnc1N1CCN(c2cccc(C#N)n2)CC1 829010764 ITQDIDPVNNROFV-UHFFFAOYSA-N 379.428 0.908 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 831584518 KYNWFBOFNZDSBW-YESZJQIVSA-N 393.896 0.838 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 839596023 IEZVSQHKFCHEKG-OAHLLOKOSA-N 385.420 0.730 30 10 GCEE 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30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)C1CCN(C)CC1 910887700 SNXOVQBVPRUXRY-FTRWYGJKSA-N 377.485 0.337 30 10 GCEE CN(CCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)CCOCCO 922112743 GJHRTDRDQLJHOI-INIZCTEOSA-N 378.448 0.581 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cccc(-n2cncn2)c1)C1CCN(C)CC1 930113857 FOEGANMMBTULKE-UHFFFAOYSA-N 380.452 0.440 30 10 GCEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccccc4)n3)[nH]c2n(C)c1=O 1084035622 UEPCWCUAKADBQP-UHFFFAOYSA-N 397.424 0.676 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)C1 1120338563 ZFRDVUSVRBOMOV-MRXNPFEDSA-N 388.420 0.998 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[C@H]3CCCS3(=O)=O)CC2=O)cc1 1133180442 MHLJETZARKTWTM-GOEBONIOSA-N 375.450 0.995 30 10 GCEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 1141017750 UTDNGTIUBJAYCU-UHFFFAOYSA-N 386.429 0.888 30 10 GCEE C=C(C)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C(=O)OCC 1153516077 BXOMMVFCYGMAGB-HUUCEWRRSA-N 393.415 0.814 30 10 GCEE CCO[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CN(C)C 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C#CCN(C(=O)C(=O)NCC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1327075504 SOWXHWHEQMONQS-INIZCTEOSA-N 398.525 0.739 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]23CCOC3)cc1 1327251022 LKQXLXFSTHLPNN-WFASDCNBSA-N 385.467 0.430 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cc(OC)c(OCC)c(OC)c1 1327638765 DJQSFAKYIJGFME-CQSZACIVSA-N 376.409 0.579 30 10 GCEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1nn(C)c(C)c1C#N 1328535145 DKWUESYFSBGWPU-UHFFFAOYSA-N 385.428 0.812 30 10 GCEE Cn1nccc1[C@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1328718229 IWALYBBZFIBVEC-SWLSCSKDSA-N 399.411 0.041 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 1330782162 XKDHBXDMYQKLKS-ZIAGYGMSSA-N 391.399 0.598 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C1CCN(C)CC1 1335632232 LIUIXKSASPPEPJ-MRXNPFEDSA-N 386.500 0.061 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CCN1C1CC1 1336121669 XCVPWCZCVQPSON-MSOLQXFVSA-N 395.463 0.102 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccnn2[C@@H]2CCCOC2)C1=O 1338141455 IBVCVMCXIOLUHW-ZIAGYGMSSA-N 375.429 0.418 30 10 GCEE C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1339140329 PGJBHVJTQSTKQP-MCIONIFRSA-N 388.472 0.282 30 10 GCEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1340224663 VFXVPNYRRZCFSX-CVEARBPZSA-N 388.520 0.948 30 10 GCEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCC(NC(=O)COC)CC1 1342038944 HXLFYCZUEMHTNM-HNNXBMFYSA-N 378.477 0.199 30 10 GCEE C=CCOCc1nnc(N2CCO[C@@H](C(=O)OCC)C2)n1C[C@H]1CCCO1 1343202752 CSQLPOXKVNBUJK-HUUCEWRRSA-N 380.445 0.928 30 10 GCEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 1347303184 OECDNTHMGPKXIT-QGZVFWFLSA-N 379.482 0.677 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C(=O)NCC2CC2)C1 1348147931 GFZNFMFPVOBHDJ-DLRJPAPCSA-N 389.496 0.849 30 10 GCEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 1352906071 XRGKWGVSYAXDBH-XJKSGUPXSA-N 378.425 0.828 30 10 GCEE C=C(C)Cn1c(-c2nc(COC)n(C)n2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1355885648 UDLJORMDQGHJJF-CYBMUJFWSA-N 386.460 0.607 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)N2)n1CCCOCC 1357296680 AEXUJMUKOIMNSY-HNNXBMFYSA-N 379.486 0.532 30 10 GCEE C#CCN(c1nnc(CC)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358964014 ROCJROAXCUERKC-INIZCTEOSA-N 390.513 0.834 30 10 GCEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1 1359231315 SRPGEVRPWMEFET-GFCCVEGCSA-N 384.506 0.556 30 10 GCEE CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nn1 1438801067 PQGIIJGGTSSBGD-LBPRGKRZSA-N 385.405 0.743 30 10 GCEE N#CC1(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 1451670355 VRLMDDSMDIVKRX-RRFJBIMHSA-N 381.498 0.906 30 10 GCEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1455209360 DBTMBTSSEJPZLK-UHFFFAOYSA-N 378.429 0.894 30 10 GCEE C[C@H](CC(=O)NCCO[C@@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1456148951 MJMKGAODKBPDID-CHWSQXEVSA-N 381.454 0.425 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)cc1 1465341374 LEOFDRLKTNAHOO-UHFFFAOYSA-N 381.458 0.392 30 10 GCEE N#Cc1cn(CC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c(=O)nc1O 1468664487 FUZIVVKRCQLTEZ-GFCCVEGCSA-N 382.298 0.689 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1508421985 CFVLUCRDYDPVNT-XNJGSVPQSA-N 394.501 0.254 30 10 GCEE C=C[C@H](O)c1nnc(N2CC[C@](C(=O)NC)(C(F)(F)F)C2)n1CCOC 1523598955 LCEOPXPJMVEAKF-HZMBPMFUSA-N 377.367 0.649 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1538961861 CREKOSOGKRHGQN-OAHLLOKOSA-N 388.472 0.221 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2=O)cc1 1556457424 FTXZEOKFBBRFFM-ZACQAIPSSA-N 384.436 0.588 30 10 GCEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)OCC 1559024802 VXGDZBKGQXUGRD-NSHDSACASA-N 393.849 0.760 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(C)(=O)=O 1587683233 FJNQJSUYYPHMSH-KKUMJFAQSA-N 384.502 0.895 30 10 GCEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1587922292 YFTHEQBHNTUENX-FQEVSTJZSA-N 391.516 0.846 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1594858456 ZOEQSWVOJHINRD-SJCJKPOMSA-N 396.517 0.521 30 10 GCEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 1616048917 TUUSWKVBOMQUNJ-FWFWZGOMSA-N 378.465 0.897 30 10 GCEE Cc1nc([C@@H]2CCOC2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616336404 NFAGAUIFYNNQSM-BFQNTYOBSA-N 381.479 0.966 30 10 GCEE N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)[nH]2)c1 1622601031 HDVCTBKBUHOCDH-WBVHZDCISA-N 389.419 0.994 30 10 GCEE Cc1nc2n(n1)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1627884999 SVOZEENHULOWAK-LLVKDONJSA-N 377.401 0.768 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC 1637062220 UAGUQUODVGRTKL-KGLIPLIRSA-N 377.445 0.490 30 10 GCEE CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCN(O)C2=O)c1F 1637458746 KJKKXSVWQZVUCE-QMMMGPOBSA-N 395.206 0.712 30 10 GCEE CSCc1nc2ccccc2n1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1641967524 CPSKUSKIKHKAEK-UHFFFAOYSA-N 398.448 0.850 30 10 GCEE COC(=O)CCN(CC#N)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 1643854423 HTNCNBIRPMZOTJ-SANMLTNESA-N 380.422 0.871 30 10 GCEE C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC 1686219540 NFYHRKOMIJGLHG-BKEDOTJMSA-N 380.489 0.782 30 10 GCEE CC(C)[C@@H](CCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)NCC(=O)NCC#N 1700503008 AVXOGWBYHRWVAW-LISAXSMJSA-N 380.489 0.140 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2ccnc2C)C1 1702374148 UGLUNKADYCIKAJ-NCOADZHNSA-N 376.457 0.251 30 10 GCEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N(C)C 1705615191 KRODCHWDACATNL-UHFFFAOYSA-N 376.486 0.615 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705647977 OMQMSPZDPYZEJZ-DLBZAZTESA-N 387.484 0.661 30 10 GCEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1722351485 OEWIMNLXYAAKLS-HNENSFHCSA-N 391.435 0.860 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1722370450 LBMDJYJEIJSLSG-SFHVURJKSA-N 396.495 0.845 30 10 GCEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)CCO1 1731186426 CMKNCTQRHLIDBE-ZDUSSCGKSA-N 391.382 0.374 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1735647777 XZFBVXFRXMPKCC-CBBWQLFWSA-N 379.457 0.013 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)COCc2nncn2C)[C@H](C)C1 1739540366 AMFMRXOIJDHNKM-FSZRXZPDSA-N 391.472 0.276 30 10 GCEE C=C(C)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1740352966 DBFPXYBZNOHHJG-SYQHCUMBSA-N 376.457 0.825 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740629206 FQHAXLIEIZONNE-OXJNMPFZSA-N 385.468 0.827 30 10 GCEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1740890849 KGCNWKKUHSYCBD-CYBMUJFWSA-N 388.563 0.559 30 10 GCEE C=CCCO[C@H](C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1744093810 ZLHAHMPWXKCKAH-TVFCKZIOSA-N 379.501 0.796 30 10 GCEE CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[C@](F)(C#N)C1 1747443384 CMUJCAXTKMHSGT-HNNXBMFYSA-N 381.437 0.654 30 10 GCEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC)C1CC1 1749519250 HLBGDWNRTJSVFR-CYBMUJFWSA-N 381.502 0.813 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@]2(CCOC2)C1 1749670677 VPPMOQSROOZYHJ-KBXCAEBGSA-N 377.445 0.080 30 10 GCEE Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1751807280 FBNUAMSILSIMKZ-HNNXBMFYSA-N 386.460 0.740 30 10 GCEE C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCOCC1 1757709392 DKKIQHKQJJHCLV-MHORFTMASA-N 379.501 0.938 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)O)C1 1760535282 OBTRKIUJKRHJDQ-OLZOCXBDSA-N 387.506 0.441 30 10 GCEE C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)[C@H](O)CO 1848436269 BVMVQKFXKDRESB-NYGZIQAYSA-N 380.481 0.544 30 10 GCEE COCCN(CC(=O)N1CCC(C#N)(c2ccccc2)CC1)S(C)(=O)=O 1849793034 OEXSYECTKXICQK-UHFFFAOYSA-N 379.482 0.978 30 10 GCEE Cn1nc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c2c1CCC2 1853855002 AWLVWVSWTLDSLV-UHFFFAOYSA-N 391.431 0.948 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1854689430 YRFQLYQNPKHVHJ-WDEREUQCSA-N 393.337 0.666 30 10 GCEE CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2(C)C)C1 1855134973 IGPHSRMLTPVQCZ-GOSISDBHSA-N 398.463 0.869 30 10 GCEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCCNS(C)(=O)=O 1860929245 GOKITVXEQVLKMC-OAHLLOKOSA-N 385.461 0.485 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)CC1=O 1872917912 NRXJMNOSROTQDB-KRWDZBQOSA-N 387.484 0.663 30 10 GCEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccnc2)CC1=O 1874338849 ZPFWDSXYCMZXBI-GNZXAGPDSA-N 387.469 0.857 30 10 GCEE C=C(CNS(=O)(=O)c1nnc(NC(C)=O)s1)B1OC(C)(C)C(C)(C)O1 1892604237 JBUUJEVZIIUWPQ-UHFFFAOYSA-N 388.280 0.962 30 10 GCEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2054400830 JATCQNRMPOBHKZ-BUBHHJDNSA-N 392.503 0.794 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@](C#N)(CCS(=O)(=O)N2CCOCC2)C1 2087024443 KETGWOQWBFFGBV-MRXNPFEDSA-N 389.474 0.568 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NS(=O)(=O)N1CC(C#N)C1 2118168257 DUXSZXCSTPIAHZ-DGAVXFQQSA-N 386.474 0.347 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C#N)CC2)[C@H](C#N)C1 2118169314 WNFBFTIJHKTODM-CQSZACIVSA-N 383.474 0.912 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NC1CCN(CC#N)CC1 2181113512 ZHYRRQMBMAJJJF-PMPSAXMXSA-N 378.473 0.972 30 10 GCEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2S(=O)(=O)c2cncc(C#N)c2)C1 2186603301 AGVPPBUMURZIPW-ZDUSSCGKSA-N 394.453 0.698 30 10 GCEE C=C[C@]1(CO)COCCN1C(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 2199852305 NXAMGYAOVYMVKB-KXBFYZLASA-N 383.489 0.751 30 10 GCEE C#CCCN1CC[C@H](NC(=O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)C1 2204202029 XXIJUCHXZIJTER-AWEZNQCLSA-N 376.461 0.517 30 10 GCEE COC(=O)[C@@H](CS(=O)(=O)NC[C@@H](C)C#N)NC(=O)OCc1ccccc1 2244230289 ZSFQAJYTRAXCEP-GXTWGEPZSA-N 383.426 0.533 30 10 GCEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1nn[nH]n1 2267469834 BBKGRHNMBVSHFC-QMMMGPOBSA-N 385.280 0.600 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]23CNC[C@@H]2C3)OC1(C)C 2267704782 BCROHAMIYKXQBJ-BONVTDFDSA-N 385.320 0.224 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@H]2O)OC1(C)C 2267708392 JDKFSTYGHNKFRM-ZYHUDNBSSA-N 388.320 0.775 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C(F)F)CC1 2267710808 BFVIVROOKIZHFX-UHFFFAOYSA-N 377.222 0.795 30 10 GCEE C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2281822695 BEVIHDUEOPBOHL-PWSUYJOCSA-N 383.279 0.025 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](O)[C@H]1O 2281966919 MEEDOFVQPIXGJH-MDZLAQPJSA-N 382.291 0.755 30 10 GCEE Cn1cc(C(=O)N[C@@H](CO)CC(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2281967131 VTEDHPUGTHVYFV-SECBINFHSA-N 377.172 0.762 30 10 GCEE C[C@H](O)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302829 OQKIROYZSDNTCU-STQMWFEESA-N 382.291 0.772 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4CNC[C@H]3C4)c2)OC1(C)C 2282350303 KXJSIUPDUWZUCX-TZMCWYRMSA-N 379.291 0.363 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCNC(=O)C3)c2)OC1(C)C 2282493340 VWHLRURAQAUFCC-UHFFFAOYSA-N 380.275 0.247 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1CN 2282495053 GWHAXYRLDXWKCB-YPMHNXCESA-N 382.291 0.620 30 10 GCEE Cc1nnc2n1CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282526916 WDWQTDANCJJLHH-UHFFFAOYSA-N 375.263 0.998 30 10 GCEE COC(=O)[C@H](O)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2282542866 LVWCLDHBNMCJKQ-CYBMUJFWSA-N 383.637 0.903 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CN)CCOCC1 2282595639 XBSHSKOYDRZVBR-UHFFFAOYSA-N 381.307 0.988 30 10 GCEE CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282600578 VJVJZUNISPVWMD-UHFFFAOYSA-N 385.295 0.226 30 10 GCEE CC1(C)CO[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN1 2282621047 NEQHWCCCRWVRPB-LLVKDONJSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(CO)CO)cc2F)OC1(C)C 2282833409 WZZYNWDFTUCLET-UHFFFAOYSA-N 389.254 0.004 30 10 GCEE CO[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282840857 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Cc1ccc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)nn1 2295282955 ICHNZZJZDQSMLF-UHFFFAOYSA-N 379.251 0.619 30 10 GCEE CO[C@@H](CO)CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2295300886 FDJQFXCSHVORBU-CQSZACIVSA-N 385.291 0.413 30 10 GCEE C=CC[C@@](C)(CO)CNC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2313939507 ISDDTSAZOUPKLH-MLGOLLRUSA-N 378.491 0.615 30 10 GCEE Cn1nc(I)cc1[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2317401695 VGFPYQLEQZDREH-VIFPVBQESA-N 382.223 0.885 30 10 GCEE C#CCNC(=O)CCN[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2321789539 YPHZGKCGZHFRMZ-FQEVSTJZSA-N 387.436 0.972 30 10 GCEE C#CC#CC1CN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2336926594 MLHSPYNZEKVNCQ-HNNXBMFYSA-N 380.466 0.506 30 10 GCEE COC1(C#C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)CCOCC1 2363658776 PDTGNJPZALXHIU-HIFRSBDPSA-N 379.461 0.907 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3C[C@H](C#N)N4CC[C@H]3C4)[C@@H]2C1 2368812464 GCHSBJZZABSOKD-GVRJEKJASA-N 376.457 0.677 30 10 GCEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 33833041 JTUXCVKEZIPSKW-WMJZPHELSA-N 394.464 0.802 30 10 GCEE in-vitro C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CN1C1CC1 185748212 BBYGLPKEWCDZML-JSGCOSHPSA-N 379.424 0.819 30 10 GCEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 255198374 AXFKGCVRVIZFCO-ZDUSSCGKSA-N 377.429 0.621 30 10 GCEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2CC(=O)NC2=O)CC1 264876913 SEKHGANIGUPAIW-UHFFFAOYSA-N 378.392 0.307 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CC1 289196613 QRRBZCOCFFSXHO-BRWVUGGUSA-N 383.452 0.676 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)[C@@H]1C 349454901 PTTYNJVUYQPJSI-CHWSQXEVSA-N 382.467 0.753 30 10 GCEE CC(C)(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349486061 ACAMWZWSGXIZNW-QWHCGFSZSA-N 393.531 0.021 30 10 GCEE C=CCn1c(Cc2noc(CCc3ccnn3C)n2)nnc1N1CCOCC1 350638407 XCVCIHQZCSSOBV-UHFFFAOYSA-N 384.444 0.793 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 364727885 HUZFYTHACSIEJI-HNNXBMFYSA-N 390.421 0.503 30 10 GCEE C[C@@H](C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)n1cnc(C#N)n1 409725941 UOXYBAHOSSWJMS-INIZCTEOSA-N 397.483 1.000 30 10 GCEE C[C@]1(c2cnccn2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 410056760 ZKDGDDYPDAQZQN-QGZVFWFLSA-N 385.405 0.589 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2Cc3ccccc3C[C@@H]2C)CC1 410753094 JJUMDQKLSXRZCQ-INIZCTEOSA-N 384.480 0.406 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NC3CCC(C(=O)NC(N)=O)CC3)cc2C1=O 426813767 ZJYVSNWKMOEUNE-UHFFFAOYSA-N 398.419 0.952 30 10 GCEE N#CC1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 499014866 MFIHQYFJCRBAFK-JKSUJKDBSA-N 396.447 0.784 30 10 GCEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 511018778 SQCPULSXGKVKRF-UHFFFAOYSA-N 392.315 0.862 30 10 GCEE C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2CS(N)(=O)=O)c(OC)c1 512264029 KHGAQNOPPPGWLT-HOTGVXAUSA-N 384.498 0.916 30 10 GCEE C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)N(C)C 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N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H](O)C12CCC2 595962772 UIVCHBZFHFSRCD-KGLIPLIRSA-N 385.467 0.070 30 10 GCEE CNCCOCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 599964966 RVYDFGGNVCPJSA-UHFFFAOYSA-N 393.875 0.212 30 10 GCEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)Cc1ccc(C#N)nc1 600018037 YKIJDZBOIIYVJZ-RISCZKNCSA-N 376.438 0.465 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1 600019900 DPXIJBCNUNMMIZ-FQEVSTJZSA-N 386.452 0.537 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](CCF)C3)n2)cc1 600063629 OCTSJTNDTIRLAI-HNNXBMFYSA-N 386.387 0.724 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@]23C[C@@H]2COC3(C)C)c1 600761718 RRGQVBDPEDCBJL-OZVIIMIRSA-N 399.494 0.723 30 10 GCEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 601426013 MJSMHDBAVHYMFY-UHFFFAOYSA-N 392.463 0.694 30 10 GCEE CO[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)[C@@](C)(CO)C1 601527110 XMAIBIRZXOPMPL-SCLBCKFNSA-N 392.481 0.267 30 10 GCEE C=C(C)Cn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C(N)=O)C1 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30 10 GCEE C#CCN(C(=O)C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 789752074 LPPKNYJIBVTZQJ-LLVKDONJSA-N 381.479 0.609 30 10 GCEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)cn1 807934874 BFGJOKADFPSNFN-GFCCVEGCSA-N 376.446 0.299 30 10 GCEE C#CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OC 837934091 NCIJEDOJNOZZMT-UONOGXRCSA-N 397.453 0.373 30 10 GCEE C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 838590797 OYCSPXPCCHEMCX-AWEZNQCLSA-N 385.873 0.970 30 10 GCEE C#C[C@@H]1COCCN1CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 840168285 LRMKSGUDXGJSKN-CQSZACIVSA-N 392.456 0.599 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2CCOC)CC1 842997240 FNMLHEBOZZKYMJ-CVEARBPZSA-N 392.504 0.241 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 845068960 CSGIKVLLANOHFR-HZPDHXFCSA-N 380.470 0.657 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=S)NCc1ccc(S(N)(=O)=O)cc1 849283671 VKHAJWFIBFCZAK-UHFFFAOYSA-N 397.522 0.985 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 850656979 OYOITKHHXUVOPJ-IBGZPJMESA-N 385.424 0.312 30 10 GCEE C#C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 854766262 WQFSRZQJOOVOCO-SWLSCSKDSA-N 381.410 0.248 30 10 GCEE CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2C)cc1C#N 862074148 LNSDGOAHWOMLMN-CQSZACIVSA-N 389.412 0.512 30 10 GCEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)O 864182570 ALRCDLIOPRAIQS-JTQLQIEISA-N 392.817 0.626 30 10 GCEE CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 866973251 DRONSEXACLWRJY-INIZCTEOSA-N 380.445 0.624 30 10 GCEE N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]3NCC[C@H]32)CC1 868416439 ZGLYOKOHMGNHSH-FUHWJXTLSA-N 385.443 0.699 30 10 GCEE C=CCN1CC[C@@H](OC(=O)c2cc(I)nn2C)C1=O 869846579 FZXDLMUXQZDECY-SECBINFHSA-N 375.166 0.968 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C(F)F)CC1 870642780 NTMAGNWOQZTMBG-GFCCVEGCSA-N 387.408 0.998 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 875520045 BIDNNMGIPMQINC-DOTOQJQBSA-N 393.871 0.816 30 10 GCEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 900016414 NYHHLAWVDOYLNC-UHFFFAOYSA-N 376.482 0.899 30 10 GCEE C=C1[C@H](C(=O)N[C@@H]2CCN(C(C)C)C2=O)[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O 900721406 LJNHPSPXARRMHR-WCVJEAGWSA-N 390.484 0.040 30 10 GCEE COc1ccc(CCNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 916602875 ICVSSFZLAUMPHC-CXAGYDPISA-N 381.429 0.957 30 10 GCEE CCOC(=O)[C@@]1(C#N)[C@H](c2cccnc2)[C@@H](C(C)=O)N2C=C(C(N)=O)C=C[C@@H]21 1076154790 KJNGNSJYMSINNA-WOCWXWTJSA-N 380.404 0.819 30 10 GCEE C[C@@H](C[S@](C)=O)NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1117608909 ICAPZUHMZOCODL-SLNDPJLMSA-N 392.481 0.643 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@H]1F 1118475602 PSVOAPLXSVIRBT-VFVRVIDISA-N 398.435 0.327 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 1118566665 HORRWHDWTRBNLE-UHFFFAOYSA-N 377.416 0.705 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](C)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1119782128 FSIJYIPHVUJSTC-NEPJUHHUSA-N 384.404 0.791 30 10 GCEE C#CCN(c1nnc(Cc2nccn2C)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1122748324 ZZCKKGPMOCESTE-OAHLLOKOSA-N 390.513 0.885 30 10 GCEE COC(=O)CCN(CC#N)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1132451373 CYRXCNOATBMUDB-ZDUSSCGKSA-N 396.444 0.369 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](Cc4nn[nH]n4)C3)CC2=O)cc1 1155134720 LCFSPKLPVFWVQX-GJZGRUSLSA-N 379.424 0.906 30 10 GCEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1)C(=O)OC 1155779423 LYKOWYKMKPIHQB-WBVHZDCISA-N 390.436 0.904 30 10 GCEE C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1 1195043122 YFYHQYISDLUWBJ-UHFFFAOYSA-N 381.410 0.757 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)CC1 1219162380 LYKYVDGYOKHPST-VWLOTQADSA-N 399.498 0.339 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1 1261557885 QZDZYAWCLHPHCG-MGPQQGTHSA-N 385.386 0.727 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(C3CCC3)CCC2)CC1 1262464571 NUMRNHNZTHAVCT-UHFFFAOYSA-N 393.517 0.233 30 10 GCEE 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C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1 1334983604 MOSUXTPPAMLISH-HNNXBMFYSA-N 378.469 0.801 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC)C1CCN(C)CC1 1336583199 OEEWXFQGCITTIU-QZTJIDSGSA-N 391.512 0.321 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCO[C@](C)(C(F)F)C1 1338723078 MZRSXOKTHMMQDK-HZMBPMFUSA-N 377.417 0.689 30 10 GCEE C=CCn1c([C@@H](C)CO)nnc1N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 1340618164 KOHXRLNVOCRQJN-DCAQKATOSA-N 382.408 0.972 30 10 GCEE C#CCN(c1nnc([C@@H](O)C2CC2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1343068696 IJIKWCKHRJKGOM-CVEARBPZSA-N 396.513 0.775 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1343877080 OYSQPCATJJHUNI-ODCFSMADSA-N 390.484 0.346 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCC[C@@H](O)C3)n2C[C@H]2CCCO2)CC1 1343953946 QHDKLJCFWTUDAQ-QZTJIDSGSA-N 388.516 0.169 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1 1345711755 XSIFJDVHCFYIJP-MJBXVCDLSA-N 378.429 0.800 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1351606531 ZNJNDZLMLVKRHW-OAGGEKHMSA-N 376.505 0.944 30 10 GCEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1351735057 FAGILWMBHJMRAR-VXGBXAGGSA-N 386.412 0.232 30 10 GCEE C=CCNC(=O)c1ccccc1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1353677729 KZJHWNRXJOSOOU-UHFFFAOYSA-N 389.437 0.685 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)CC1 1359028029 DXYDRINJLHBDRC-SFHVURJKSA-N 399.543 0.754 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CC2)N(C)C)CC1 1359034993 IIGJRXYJMQLAQS-SJORKVTESA-N 385.516 0.325 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnc(S)o1 1448070183 FUQQUMLGRJMEGS-VIFPVBQESA-N 381.439 0.256 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NCCCCC2(C(=O)OC)CCC2)C1=O 1456812133 VYCLVXZFHMHBKF-UHFFFAOYSA-N 379.413 0.593 30 10 GCEE CCOC(=O)CON=C(C(=O)N=c1cc[nH]cc1OC(C)C)c1cc[nH]n1 1456958973 RGCYDIWNRMAJLY-UHFFFAOYSA-N 375.385 0.936 30 10 GCEE 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C#CCSCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1539531552 WWIHPBUXPXLZCN-KDOFPFPSSA-N 393.513 0.608 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C#N)C1 1556132427 KNSRALXATJWMER-CHWSQXEVSA-N 383.470 0.686 30 10 GCEE C=CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1556154068 RBIAMPRNTDEPFO-KBPBESRZSA-N 395.843 0.938 30 10 GCEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCO[C@](C)(C#N)C2)C1 1558602486 SPOOJXYFLGONTK-QGZVFWFLSA-N 376.417 0.825 30 10 GCEE Cc1oc(NC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1560071918 GKVNCJSETUFEOS-OAHLLOKOSA-N 394.497 0.901 30 10 GCEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@]12COCCN1C(=O)OC2 1565239779 KKUUSYNSUDFTIY-IBGZPJMESA-N 388.424 0.937 30 10 GCEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC 1587657966 YMUVTWCLAXJADT-NSHDSACASA-N 382.515 0.641 30 10 GCEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCN(C)C1 1613528074 IBYJGLKNHOKQBR-IFXJQAMLSA-N 391.520 0.859 30 10 GCEE N#CCN1CCC(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 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0.684 30 10 GCEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1587974934 GHVLGFCIQIKKPF-UHFFFAOYSA-N 391.435 0.564 30 10 GCEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O 1616155433 XCNQJYBQNRLOFL-FQBWVUSXSA-N 388.468 0.147 30 10 GCEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)CCO1 1620356415 YHSHZTHSARPBTD-IRXDYDNUSA-N 390.488 0.623 30 10 GCEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1623849482 AKCOZBCPJHJXRK-HNNXBMFYSA-N 385.424 0.013 30 10 GCEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCN(CC#N)CC3)nn2)C1 1628350832 OPBAYLZCUFPIIN-UHFFFAOYSA-N 375.433 0.351 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 1634554506 BURBHMHYDQUTAU-QZTJIDSGSA-N 390.528 0.921 30 10 GCEE N#C[C@]12CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@H]1CS(=O)(=O)C2 1636513020 ZJCSGKHHVBLBEB-MEDUHNTESA-N 383.376 0.091 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C3CCC2(C(N)=O)CC3)s1 1639745946 JQUFMCWGHVDGJA-UHFFFAOYSA-N 383.495 0.764 30 10 GCEE Cc1cc(C#N)c(O)nc1C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1640862910 MNEDQEGBNBYOSA-UHFFFAOYSA-N 378.435 0.875 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C)c(C(N)=O)s2)cc1 1643813898 YZBOEEMGYAAPHQ-UHFFFAOYSA-N 392.462 0.392 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3(O)CCCC3)CC2)cc1 1653741166 RBKDCMVVUUZPOR-QGZVFWFLSA-N 379.482 0.531 30 10 GCEE C=CCn1cc(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)nn1 1679834852 GNJICJLMQXDGMA-ZAZQZGKISA-N 385.468 0.854 30 10 GCEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)C2)nc1 1683841761 XWSCTZPHSUWYCG-SJORKVTESA-N 399.499 0.879 30 10 GCEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1690592872 LGUVRFOPYDFOSN-OAHLLOKOSA-N 384.444 0.619 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(OC)C1 1690723308 NGIJSEAASLJJCE-LBPRGKRZSA-N 383.474 0.055 30 10 GCEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cnnn2)CC1 1698491330 YCGLQWYMKINFCN-UHFFFAOYSA-N 384.448 0.217 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 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0.901 30 10 GCEE COCCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1770139650 CKUWMUXTJHZROJ-LSDHHAIUSA-N 392.460 0.401 30 10 GCEE Cn1cc(C#CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1 1850336156 OEZAOFAZNBQDES-HNNXBMFYSA-N 380.404 0.712 30 10 GCEE N#Cc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2=O)ccn1 1853645541 AZJXXOZDJSNKHR-UHFFFAOYSA-N 388.387 0.446 30 10 GCEE CC1(C)C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)CCN1CCCC#N 1857092344 VSFYHYVQUAJRFK-UHFFFAOYSA-N 384.502 0.411 30 10 GCEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)Cn3cnnn3)C2=O)CC1 1857321634 PEOIAHLKGFLOGQ-MRXNPFEDSA-N 379.424 0.358 30 10 GCEE CC(=O)Nc1ccc2c(=O)cc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)[nH]c2c1 1866520606 RTGQPAAFAPWBPB-UHFFFAOYSA-N 375.348 0.822 30 10 GCEE N#Cc1cccc(S(=O)(=O)N2CCCN(c3ccc4nncn4n3)CC2)c1 1889965072 LBNOKAAVLKVKIV-UHFFFAOYSA-N 383.437 0.897 30 10 GCEE C=CCN(CC=C)S(=O)(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2069740261 HBWITXIFTXGLMT-INIZCTEOSA-N 375.491 0.867 30 10 GCEE CC(C)[C@@H](C#N)CS(=O)(=O)NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2118163055 NOSRMDYSFKQXRG-LBPRGKRZSA-N 388.490 0.424 30 10 GCEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)N1CCC[C@H](C#N)C1 2118171424 RHJYSSPDTQKAES-UTUOFQBUSA-N 382.408 0.998 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)N3CC[C@H](C#N)C3)CO[C@H]2C1 2121658831 XAVKKZHERMSYJU-RFGFWPKPSA-N 386.474 0.301 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)Cc2ccccc2C#N)C1 2126234922 MMPCLSVZYKRWGI-CABCVRRESA-N 381.454 0.958 30 10 GCEE CC(C)(C)OC(=O)NCC1(O)CN(C[C@H](O)COc2cccc(C#N)c2)C1 2174567708 INRCUTCZGTXJQL-HNNXBMFYSA-N 377.441 0.869 30 10 GCEE COC[C@@]1(C(=O)Nc2cc(C#N)ncn2)CN(C(=O)OC(C)(C)C)CCO1 2186622823 BZIKPZLFZOAQGW-QGZVFWFLSA-N 377.401 0.939 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)NC3CS(=O)(=O)C3)c2)OC1(C)C 2255750290 HSIVSNIUSILALH-UHFFFAOYSA-N 393.317 0.123 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2267176243 XMTWFUVDURGETA-JZYVYDRUSA-N 384.288 0.215 30 10 GCEE 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382.486 0.007 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC=CO1 1740630279 GZQVFCNQUYLTRJ-HUUCEWRRSA-N 377.470 0.654 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)F)CC1 1740694450 JTVLIVLYDXWNKQ-CQSZACIVSA-N 396.442 0.656 30 10 GCEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)CC)CC1 1740817630 NFCGSGHRLCKDRI-UHFFFAOYSA-N 384.506 0.512 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2)CC1 1748986463 AJXJWMMVZRCYDW-UHFFFAOYSA-N 392.467 0.886 30 10 GCEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCOC1 1749677943 PXZKSUXRWRGISV-OAHLLOKOSA-N 390.488 0.566 30 10 GCEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749725991 WVKFYNARCFVJGF-CYBMUJFWSA-N 382.446 0.457 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C2CC2)C1=O 1760218160 ZGMZTZOWGZJGJQ-IERDGZPVSA-N 394.479 0.703 30 10 GCEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1760227582 IGDXVPJOOCHHHR-OALUTQOASA-N 377.489 0.456 30 10 GCEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)C1 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C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871678054 ZSSNNZUXAZFADV-UHFFFAOYSA-N 394.863 0.510 30 10 GCEE C#CC[C@@H]1COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1875838611 BODBYDNWBYRKCE-ZIAGYGMSSA-N 386.470 0.271 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H](O)C1 1962849425 XSRABQUSUKJBAU-CYBMUJFWSA-N 382.442 0.556 30 10 GCEE C#CCNC(=O)CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCOCC1 2188600464 IAPACAMYMFNCNZ-HNNXBMFYSA-N 381.473 0.810 30 10 GCEE CC1(C)OB(c2ccccc2CS(=O)(=O)NS(C)(=O)=O)OC1(C)C 2256909710 FIPVNXQTLCWBJR-UHFFFAOYSA-N 375.277 0.365 30 10 GCEE Cc1sc(C(=O)NCCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2267109199 MOQHAVGURMGOLY-UHFFFAOYSA-N 388.320 0.682 30 10 GCEE CNS(=O)(=O)CCN(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267492979 XHOCQFNUIFVZAC-UHFFFAOYSA-N 388.320 0.669 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOCCF)OC1(C)C 2267707248 NLCAONVKZFHOTK-UHFFFAOYSA-N 394.299 0.848 30 10 GCEE Cn1nnnc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267718065 NOAKRQAYWJWYDE-UHFFFAOYSA-N 385.280 0.049 30 10 GCEE C=C(CS(=O)(=O)N1C[C@@H](C)O[C@H](CCO)C1)B1OC(C)(C)C(C)(C)O1 2267725620 BOIRLMZKBXDITK-ZIAGYGMSSA-N 375.296 0.976 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCONC2)OC1(C)C 2267732632 OGFAETWGIBNIEO-GFCCVEGCSA-N 388.320 0.760 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@@]1(C)CO 2281972130 LVYSKIKENGQCNJ-QGZVFWFLSA-N 382.291 0.974 30 10 GCEE CS[C@H]1CNC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2281984906 GPSCFXSFBRGHQM-NEPJUHHUSA-N 380.323 0.461 30 10 GCEE CCO[C@H]1CNCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2281998933 ALZQOYNEMHZTNY-AAEUAGOBSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2[C@H](N)[C@H]3CCCO[C@H]32)OC1(C)C 2282002347 NCZOGINUEMRTSW-OJAKKHQRSA-N 379.291 0.677 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)OC1(C)C 2282025471 OYZYLPHNSCMBRP-CHWSQXEVSA-N 378.303 0.938 30 10 GCEE CCc1nc(C(=O)N[C@@H]2COC[C@@H]2CN)c(B2OC(C)(C)C(C)(C)O2)s1 2282026644 FWFIQTOVEXFPBD-WDEREUQCSA-N 381.307 0.708 30 10 GCEE CC1(C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[S@@]1=O 2282027679 TWUXZQZJQLTMMF-SANMLTNESA-N 379.291 0.759 30 10 GCEE Cn1cc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282036654 LRRYTXALEQVQRW-XYPYZODXSA-N 383.279 0.025 30 10 GCEE C[C@@H]1C[C@H]1CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282288012 ISOLRPNVRYIZGZ-VXGBXAGGSA-N 384.311 0.829 30 10 GCEE COCC(C)(C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282295023 GPCBPNOJMJVRRQ-UHFFFAOYSA-N 388.299 0.065 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCN[C@@H]4C[C@@H]43)c2)OC1(C)C 2282298128 PVFSSVZEYYOOQA-RBSFLKMASA-N 379.291 0.410 30 10 GCEE CC[C@H](NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282503050 TVQUEPCQFMMLMW-ZDUSSCGKSA-N 386.254 0.667 30 10 GCEE COCC[C@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282506618 VJNWKILRBZQDAZ-NSHDSACASA-N 387.311 0.731 30 10 GCEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NC[C@H](O)CF)OC1(C)C 2282508082 QLKHQDCFAOCXLL-SNVBAGLBSA-N 395.208 0.873 30 10 GCEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 2282511475 MQVMCWLQDPDSLJ-DGCLKSJQSA-N 385.295 0.565 30 10 GCEE CON1CC[C@@H](NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2282542711 KJNVVDLNWRJVJB-SNVBAGLBSA-N 384.673 0.738 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](N)CC[C@H]3C(=O)O)ns2)OC1(C)C 2282602753 XNFJKUVUFHDQIO-ONGXEEELSA-N 381.263 0.459 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCNCC[C@H]3CO)ns2)OC1(C)C 2282610309 UXOIDTMEBSVZIA-RYUDHWBXSA-N 381.307 0.533 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@@]23CC[C@@](N)(CO2)C3)OC1(C)C 2282611817 AVNKLLFIKDXEKY-IRXDYDNUSA-N 379.291 0.823 30 10 GCEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCS(=O)(=O)CC1 2282678631 OYIPCVJTRKMFPQ-UHFFFAOYSA-N 382.291 0.678 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C(F)(F)F)COC1 2282700653 RUQYRPXBDDMBDS-UHFFFAOYSA-N 376.144 0.175 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H]3C(N)=O)ccc2F)OC1(C)C 2282847160 VBXBEKSYQWHCMO-CYBMUJFWSA-N 384.238 0.373 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC3(CO)CO)cc2)OC1(C)C 2282862627 GAXRJWKIALKKKV-UHFFFAOYSA-N 383.275 0.104 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3COC[C@H]3O)c2)OC1(C)C 2282864080 BRTPLJDILLJPCE-IUODEOHRSA-N 383.275 0.271 30 10 GCEE CC1(C)OB(c2cc(Cl)cc(C(=O)N3CC(O)(C(=O)O)C3)c2)OC1(C)C 2284420226 YYIWXSZDUIIQEG-UHFFFAOYSA-N 381.621 0.911 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CC[C@@H](C(=O)O)O2)OC1(C)C 2284420469 CCMVYAQUCBEFDB-KOLCDFICSA-N 382.247 0.804 30 10 GCEE C=CC[C@@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)CN2C(=O)OC(C)(C)C)C1 2287744952 KSRKOXSJXXHRHZ-IFXJQAMLSA-N 381.473 0.899 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2339669760 QPZRXZJMZZBAPO-ZUMXRPEOSA-N 386.514 0.901 30 10 GCEE C=CC[C@@]1(CO)CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)C1 2359668104 ZEQTURBNZPDXCN-NXEZDXNNSA-N 384.473 0.505 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H](CCC(=O)O)C(=O)O)OC1(C)C 2362499241 RDJGPRCHDDGAGM-SECBINFHSA-N 384.219 0.490 30 10 GCEE COc1nc(N2CC(CS(C)(=O)=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346710 YBIMUNWYKAPYSE-UHFFFAOYSA-N 382.291 0.870 30 10 GCEE C#CC1(O)CN(C2(C(=O)O)[C@H]3COC[C@H]2CC(NC(=O)OC(C)(C)C)C3)C1 2373596715 CGVOKCWOWHCUFZ-VZBZIDJMSA-N 380.441 0.439 30 10 GCEE C[C@@H](CN(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2379903576 PCXVANHMKDUAOX-LBPRGKRZSA-N 386.327 0.290 30 10 GCEE CC1(C)CC(/N=C(/N)NC(=O)c2nc(Cl)c(N)nc2N)CC(C)(C)N1O 5762129 UZYKVVGOWZJXCB-UHFFFAOYSA-N 384.872 0.750 30 10 GCEE CN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 52590205 AASJNLZFARDKKA-MRXNPFEDSA-N 391.497 0.668 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccco2)c1 55218571 FXWJXNMHVMVOSU-UHFFFAOYSA-N 377.422 0.790 30 10 GCEE COc1cc([C@H]2[C@H](C#N)C(=O)Nc3cc(=O)nc(OC)n32)cc(OC)c1OC 101439664 WBPOGMQAGJXKIW-BONVTDFDSA-N 386.364 0.959 30 10 GCEE C#Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 117526910 IYVOUAWDOCSJKF-HXUWFJFHSA-N 398.507 0.860 30 10 GCEE C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 264180970 ZAOFFKHLFQQNKR-MRXNPFEDSA-N 385.468 0.805 30 10 GCEE C=CC[C@@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 273211614 ARBMHZPIVGMHJE-INIZCTEOSA-N 396.513 0.359 30 10 GCEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(O)c1 273647994 VVWAIYKBLULSHQ-PKOBYXMFSA-N 388.468 0.888 30 10 GCEE C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CCO2 297755836 IOXDMJBFEJBGFO-MGPUTAFESA-N 399.451 0.008 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccccc2)C1=O 369199903 BCIOFSJRQRTZGK-HYEKCJMVSA-N 383.408 0.618 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCOC)Cc1c(C)nn(C)c1C 425901589 SWPPGYDFVAMEPZ-RDJZCZTQSA-N 378.473 0.719 30 10 GCEE C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@H]1CCCO1 440380300 JGFQNJUTRNASLX-CQSZACIVSA-N 399.472 0.796 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCCC[C@H]1C 460588756 UHRQHJRVSJCNAT-OAHLLOKOSA-N 395.467 1.377 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)n1 469550132 RVXWVHLTETZADU-UHFFFAOYSA-N 391.435 0.247 30 10 GCEE Cc1ncc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C#N 489603882 IUBJPSAZRIHIMD-APYUEPQZSA-N 386.433 0.347 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2C)CC1 508085404 GLVBEHHAOMEWIB-UHFFFAOYSA-N 388.447 0.957 30 10 GCEE CC(C)Cn1ccnc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 508803159 NMWULIWYVOFOIV-UHFFFAOYSA-N 395.467 0.771 30 10 GCEE CCOC(=O)C1(O)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 525331815 XFFQMVRWMYMOPX-UHFFFAOYSA-N 383.408 0.856 30 10 GCEE C[C@H](C#N)CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC1 532818380 QFSRLTLFBJOWIU-CQSZACIVSA-N 382.472 0.636 30 10 GCEE C=CCNC(=O)CN1CCN(c2nc(=NCC)nc(NC(C)(C)C)[nH]2)CC1 561112245 OHALJFMUOFEDFJ-UHFFFAOYSA-N 376.509 0.360 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)[C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@@H]4[C@H]75)CC2)c1C#N 562742647 XNWQIMFZBSLIFM-UEERIEQCSA-N 377.448 0.576 30 10 GCEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CCO1 592342812 BUNQVVAZQSGLBW-INIZCTEOSA-N 387.436 0.938 30 10 GCEE 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C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 563021490 AGWWYPRUBXNOLP-JSGCOSHPSA-N 386.495 0.997 30 10 GCEE C=CCN(CCOC)C(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 575076773 CCPBKSTYYJVAKQ-IYBDPMFKSA-N 390.484 0.972 30 10 GCEE CNC(=O)c1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(=O)c2ccccc12 576664821 YWQUXNXMXIHQBI-UHFFFAOYSA-N 397.416 0.497 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cn(C)cn2)cc1 578669060 ZJSCKQLYDGOUEH-LBPRGKRZSA-N 397.482 0.131 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccnc2N2CCOCC2)c(F)c1 585710899 HHRBKOIYHPYHNE-UHFFFAOYSA-N 397.410 0.862 30 10 GCEE CN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 586773957 UIXARUNBELJYRI-AEFFLSMTSA-N 381.498 0.848 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1 588776668 SXWLKPIRFIMPEG-UHFFFAOYSA-N 398.467 0.129 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1 589992091 FCYIKTQNRHNQKW-GJZGRUSLSA-N 382.530 0.380 30 10 GCEE N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 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C=C(C)COCCn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705730793 OFKCZTDTMPLBRD-OAHLLOKOSA-N 376.461 0.946 30 10 GCEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCOC)CC1 1705769000 GFFWOGCNCKWRRO-OAHLLOKOSA-N 384.502 1.000 30 10 GCEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705810154 PJIPOLIFGRPWLK-UHFFFAOYSA-N 396.517 0.562 30 10 GCEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1)C1CC1 1705849166 FBKKIDROAYXQCQ-WBMJQRKESA-N 385.490 0.195 30 10 GCEE COCCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1719935838 FISJNEYXBZTBMU-ZACQAIPSSA-N 375.469 0.581 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1722403307 OKICJEJFEUYPOA-QGZVFWFLSA-N 388.516 0.942 30 10 GCEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722457809 OHMNZGVJFWXVTN-AWEZNQCLSA-N 394.526 0.668 30 10 GCEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722617656 PBARYWROCAUWEY-INIZCTEOSA-N 395.467 0.377 30 10 GCEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1722703315 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CN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768459405 RMTIRKNNIFLEAG-UHFFFAOYSA-N 381.440 0.854 30 10 GCEE COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1773048995 DKKOPFARCOFCKT-GASCZTMLSA-N 396.407 0.547 30 10 GCEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)NC1=O 1851233572 GTEKSXWTVKFHKV-CYBMUJFWSA-N 382.420 0.977 30 10 GCEE COc1cccc(C(=N)NOCCC(=O)N2CCN(CCC#N)CC2)c1OC 1853473614 DGXNDFYZIOTVCP-UHFFFAOYSA-N 389.456 0.998 30 10 GCEE Cn1cncc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854167830 JMKZZQQBGDVNHL-GOSISDBHSA-N 392.463 0.851 30 10 GCEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCN(CCn4cccn4)C3)CC2=O)c1 1856370613 LTCXDRGXIQGIPP-LJQANCHMSA-N 392.463 0.814 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cccnc2)C1=O 1857144500 SAUVFCBCUHQSAS-MRXNPFEDSA-N 377.408 0.305 30 10 GCEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)c1OC 1874432684 RRTXINVWCDUWPY-FBCYGCLPSA-N 392.441 0.391 30 10 GCEE C[C@@H](C#CC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 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0.953 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)NCCCNS(C)(=O)=O)OC1(C)C 2267544396 TZXWQSYQQZWXHZ-UHFFFAOYSA-N 389.308 0.111 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CNC[C@@H]1C2 2267705363 HKJWWFQPOHWOSF-MEDUHNTESA-N 384.332 0.996 30 10 GCEE CN(CC1(N)CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707586 UAPLMIHDGOWMAW-UHFFFAOYSA-N 387.336 0.695 30 10 GCEE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711565 MXTZYGGVDXYZOR-SNVBAGLBSA-N 386.304 0.556 30 10 GCEE C=C(CS(=O)(=O)N[C@H](C(=O)O)[C@H]1CCCO1)B1OC(C)(C)C(C)(C)O1 2269017119 SHWZYEIOCFBTGJ-NEPJUHHUSA-N 375.252 0.726 30 10 GCEE C=C(CS(=O)(=O)NC1(C(=O)O)CC(CO)C1)B1OC(C)(C)C(C)(C)O1 2269026900 RSEIQIWYFXXFHN-UHFFFAOYSA-N 375.252 0.319 30 10 GCEE CN(C)S(=O)(=O)[C@@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2279225825 UAXWIYCKHHDAIJ-CYBMUJFWSA-N 381.307 0.851 30 10 GCEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281984768 HLMLBOSFIUYGIP-NSHDSACASA-N 383.279 0.216 30 10 GCEE 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CC(C)(C#C[C@H](N)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2301495180 UHIAWOKORXNKJE-TXPKVOOTSA-N 394.493 0.960 30 10 GCEE CC1(C)OB(c2cnc(NS(=O)(=O)CCOCCF)nc2)OC1(C)C 2340051783 HLLGWUPLCQMTLC-UHFFFAOYSA-N 375.231 0.504 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)[C@@H]2C[C@H]21 2342085583 XKSHAZUKRIBEHE-SNUQEOBHSA-N 383.466 0.897 30 10 GCEE C=C(CS(=O)(=O)N(CCCO)CCC(=O)O)B1OC(C)(C)C(C)(C)O1 2342708623 JTSOETBAMUJJEF-UHFFFAOYSA-N 377.268 0.663 30 10 GCEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS[C@@H](CCO)C1 2362353118 UYUKIBFALIOQHX-LBPRGKRZSA-N 381.307 0.659 30 10 GCEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2367402808 HSXNDFRQDAYHEV-NXOAAHMSSA-N 398.525 0.798 30 10 GCEE Cn1nccc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biogenic C/N=C(\NC1CCN(CCC(=O)N(C)C)CC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 262463754 XXQBZLFJJLPHST-CGTJXYLNSA-N 379.549 0.908 30 10 GCEE CCOC(=O)[C@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 281590752 MSUMONOISFQCHS-WFASDCNBSA-N 397.453 0.309 30 10 GCEE CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1 297981162 IMCUXEYEVYTBIY-FUHWJXTLSA-N 398.511 0.791 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1C(=O)OC 327512055 JFUCMZDNSPHWSI-GFCCVEGCSA-N 389.426 0.423 30 10 GCEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(C1)CC2(F)F 349527646 SGWHUAYAPKVAHY-LBPRGKRZSA-N 385.458 0.613 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 373369010 ITPGYFQUOAOXSB-OAGGEKHMSA-N 389.518 0.572 30 10 GCEE C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1 418603446 NUZBIUSAJYIHHP-HOCLYGCPSA-N 391.497 0.715 30 10 GCEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCCCNC3)CC2)cc1 420000176 NUDIEMAIFDZHLI-IBGZPJMESA-N 383.496 0.851 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(CCO)CCOCCO)n1 459512381 AWSCMAOZLTZVOO-UHFFFAOYSA-N 393.831 1.232 30 10 GCEE CCOC(=O)C1(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 473617504 LWDKOHQBLMHEBR-UHFFFAOYSA-N 382.380 0.537 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](CO)c1cccnc1 510999615 PADXAGOJXAINLA-MRXNPFEDSA-N 398.419 0.809 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC2=CCCOC2)c1 516491734 JFYGKEVGJWRUBB-LBPRGKRZSA-N 385.467 0.502 30 10 GCEE COc1ccc(O[C@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 527782031 TYUVJZPAGGFVKT-GFCCVEGCSA-N 399.407 0.863 30 10 GCEE C=CCN(CCOC)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 554867849 ZWIOMSUFIZDRKP-UHFFFAOYSA-N 380.420 0.335 30 10 GCEE Cn1ncc2c(N3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)ncnc21 569969106 ULAWWNWYTNGHJV-UHFFFAOYSA-N 375.458 0.509 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 577722489 SMRFPPPPPYOSEP-HOCLYGCPSA-N 393.465 0.128 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 579496049 VYJCZQIBNGMSQN-CQSZACIVSA-N 399.494 0.509 30 10 GCEE CS(=O)(=O)c1nccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 582916237 TUDVZRSPMJTMDH-OAHLLOKOSA-N 399.432 0.283 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1)C1CCOCC1 584183864 ZEUYWRNIDRDGFD-LBPRGKRZSA-N 387.483 0.582 30 10 GCEE C[C@H]1C[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C(=O)N1c1cnn(C)c1 591745706 SEQXEKDXZHGTGM-GUYCJALGSA-N 387.465 0.849 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@]1(O)CCOC1 592876337 YEYOGINKTBBWLI-UGSOOPFHSA-N 395.481 0.519 30 10 GCEE COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)CC2)c1 595146415 ZVIGZOUMQLLXBJ-OAQYLSRUSA-N 398.463 0.671 30 10 GCEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)cc21 595208662 WTOQLNCTZAARET-IBGZPJMESA-N 385.424 0.857 30 10 GCEE C=CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)CCCN1 595926481 LHROCYLMKTURCY-QGZVFWFLSA-N 381.454 0.775 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C(=O)O)C3CCC3)CC2)nc1 596130954 IMWNQCIDWPQLNT-OAHLLOKOSA-N 385.424 0.219 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 596941379 QATLLBSDJLRFFU-UHFFFAOYSA-N 386.437 0.621 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 597051822 MEVLTZATUHRESI-UHFFFAOYSA-N 381.440 0.789 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 598558682 DUCZEIFNQDDTHG-DYWXZXKOSA-N 377.466 0.844 30 10 GCEE C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CN1 599957442 UCEUQYPCACARDS-DNVCBOLYSA-N 383.496 0.896 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC2COC2)c1 600762576 GVNWCUOQKNXZAF-UHFFFAOYSA-N 387.483 0.534 30 10 GCEE CNCCOCCN(C)C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 600798817 WMFUEQAMFHWXKQ-UHFFFAOYSA-N 388.468 0.622 30 10 GCEE N#Cc1cccc(C2(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 610932882 GOIOHLOBPDJDLS-UHFFFAOYSA-N 382.464 0.593 30 10 GCEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 652018762 BSSYBXIXQSNYLG-FZNQNYSPSA-N 384.436 0.819 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 745813023 HVCZJOBVVARLQZ-HEWTWTGNSA-N 391.472 0.409 30 10 GCEE N#CCn1cc(NC(=O)C(=O)N[C@@H](CO)c2cccc(Br)c2)cn1 746446381 HFFGHMHRVWXOPJ-ZDUSSCGKSA-N 392.213 0.957 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1=O 747823727 AWMIUQRSYGNTTR-CVEARBPZSA-N 376.457 0.250 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)OC)CC1 752097667 WYTLDKWJYDIAKN-UHFFFAOYSA-N 385.420 0.329 30 10 GCEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)O 776596597 GOSKWQKNPPLMPU-CYBMUJFWSA-N 385.394 0.958 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCC)[C@@H]1CCS(=O)(=O)C1 783478193 BAVNGJQLJDHJBD-CQSZACIVSA-N 389.433 0.544 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C)cc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783480315 JGULDVWKYHKDFI-ZDUSSCGKSA-N 392.433 0.369 30 10 GCEE C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1(S(C)(=O)=O)CC1 807357230 VXVDCXLJCAGTOH-JTQLQIEISA-N 383.401 0.748 30 10 GCEE Cc1c(Cl)c(C=c2sc(=C(C#N)C(=O)C(C)(C)F)n(C)c2=O)nn1C 817359433 UFHFARIVUUPGKY-UHFFFAOYSA-N 382.848 0.962 30 10 GCEE Cc1cc(C(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)[C@H](C)C2)n[nH]1 836237996 VDSKVLIHXAJURL-CQSZACIVSA-N 396.455 0.953 30 10 GCEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 837705856 NTSKXVXEGHGIDZ-SJORKVTESA-N 394.497 0.663 30 10 GCEE C#C[C@H]1COCCN1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 837782865 OJOOVPSQNOXPJY-AWEZNQCLSA-N 380.445 0.109 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCSC3)C2)cc1 843947542 XKKCBFCVINTKPJ-KRWDZBQOSA-N 380.491 0.946 30 10 GCEE C#CCN1CCN(C(=O)CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)CC1 844398164 NLCPRCOSESOVNJ-VXKWHMMOSA-N 396.535 0.739 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCCO[C@@H]1CCOC1 846736209 IDPRDVIXDQTETO-IAGOWNOFSA-N 375.425 0.362 30 10 GCEE C#C[C@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 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30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2cccc(CO)c2)cn1 460607255 MQNLIMJDCOYAFD-UHFFFAOYSA-N 376.376 0.886 30 10 GCEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 460765516 AJHYPEVXTHFSNH-UONOGXRCSA-N 382.490 0.925 30 10 GCEE COC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccn(C)n1 470753782 GJTYNDVQQJIHTJ-MRXNPFEDSA-N 390.421 0.237 30 10 GCEE CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)CC#N)CC1 503624643 CMSDDQVUISKIIZ-ZDUSSCGKSA-N 378.454 0.716 30 10 GCEE CN(C[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1)S(C)(=O)=O 511127868 XKEJFHYPIGWWMI-MRXNPFEDSA-N 399.538 0.935 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C)c1 515433264 SQDNUCYTNNPIAE-RWMBFGLXSA-N 387.483 0.411 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(OC(F)F)C2)c1 520611943 WKDBVEZTQTWUCV-VIFPVBQESA-N 395.409 0.489 30 10 GCEE N#CCC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 521894312 OSRDRTFCEQUEGX-UHFFFAOYSA-N 387.396 0.164 30 10 GCEE N#CC1(NC(=O)CN2CCS(=O)(=O)CC2)CCN(Cc2ccccc2)CC1 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C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 588524370 KMYFHORAGMWVIT-AWEZNQCLSA-N 398.488 0.555 30 10 GCEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N2CCOCC3(CC3)C2)CC1 591004819 XJLCFQNSKLPBOW-UHFFFAOYSA-N 399.451 0.711 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C)(C#N)C2)c1 594630070 AGVLVNSPUQJSRP-UHFFFAOYSA-N 382.467 0.755 30 10 GCEE C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 594630789 YNYZHBJWWZIZSN-OLZOCXBDSA-N 386.499 0.202 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NCC3(CO)CC3)c2)CC1 594632850 RFKBILFSQNIHSD-UHFFFAOYSA-N 385.467 0.072 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N2CC[C@H](O)C2)CC1 595216886 ZTPITXGCOZMSDV-INIZCTEOSA-N 386.452 0.953 30 10 GCEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCC2(C#N)CCCCC2)C1 597400694 DZVNSIPMBSCBAN-HOTGVXAUSA-N 392.500 0.966 30 10 GCEE CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 599523893 HJPWLDVZDVZCQT-CYBMUJFWSA-N 387.483 0.517 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 603957491 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387.225 0.578 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cnccc1=O 1489704003 UKECLXMYBVPIHP-VQHPVUNQSA-N 388.468 0.768 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508095278 VDWCOSXGRRREHE-ZDUSSCGKSA-N 385.490 0.130 30 10 GCEE C=CCn1c(CCC2CCCC2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1520338551 YFKNVCOEOJQJLK-OAHLLOKOSA-N 380.518 0.926 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CCNC(=O)NC)C1 1521907202 IKDBZFGIYJZPDZ-AIANPOQGSA-N 380.489 0.497 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC(=O)N(CC)CC 1522269028 JUXZUHPPKZDNJJ-HZMVEIRTSA-N 377.485 0.921 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CC[C@H](NC(C)=O)C2)n1C[C@H]1CCCO1 1525148421 XRGOEGPMGMNUJK-KSZLIROESA-N 386.500 0.942 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](CS(N)(=O)=O)C3)CC2=O)cc1 1538760833 HVFAQARPZLGEMR-KBPBESRZSA-N 376.438 0.048 30 10 GCEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1 1540091992 CFGLAYVIRUADCC-RDJZCZTQSA-N 393.488 0.873 30 10 GCEE 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30 10 GCEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCCCO)CCN1C1CC1 1698493631 WDUHPNIIFRWHCV-IAGOWNOFSA-N 390.488 0.705 30 10 GCEE C=CCC1(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCCC1 1702380065 NXQPAABGFLAGSM-IECFSIQFSA-N 392.496 0.862 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H]1C 1702714536 FYSFVFKLZNUALI-KBXIAJHMSA-N 386.514 0.896 30 10 GCEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1cn(C2COC2)nn1 1705542717 MMIROVBVPUJGPQ-ZDUSSCGKSA-N 375.433 0.283 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705569848 HLPYQCWIUWXEKK-HOCLYGCPSA-N 379.530 0.950 30 10 GCEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1708192522 QAUGRZLGEUDGGS-GFCCVEGCSA-N 380.412 0.858 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1718222360 UEBFOJKLDGRYCQ-ANQUJSFKSA-N 388.468 0.194 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1722402124 HGHHHMYXUBNDPM-LSDHHAIUSA-N 394.545 0.832 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCO 1722412759 DGGBOWQDXSJWHV-OAHLLOKOSA-N 399.517 0.233 30 10 GCEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1726774411 GGCMBCJSUXEBTO-ZSZQSSIHSA-N 384.440 0.533 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2cn[nH]c2)CC1 1740698612 YTPBNAXSUAAPQC-UHFFFAOYSA-N 376.468 0.985 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@H]2C)C1 1740970110 DYZWDQPJQOUVPR-KHYOSLBOSA-N 393.488 0.738 30 10 GCEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCOC1 1748779782 VSALVBIFHBLJJH-SFHVURJKSA-N 380.412 0.142 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749226515 RJEYLCFBEJVPAL-SCLBCKFNSA-N 376.461 0.524 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cn(C2COC2)nn1 1749600435 YEZCDVONAULOFD-CQSZACIVSA-N 389.460 0.632 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CNC(=O)NC)C2 1757868865 PLAVWDIEIQUCLW-PYWIUJKZSA-N 392.500 0.642 30 10 GCEE 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2267718787 XYHUHPHNEUGMRL-JTQLQIEISA-N 390.340 0.534 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC(F)(F)C[C@H]2C#N)C1 2270551565 XFGHSOXJSUWQSM-WDEREUQCSA-N 393.412 0.780 30 10 GCEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCNC1 2281996670 RQBKUKCIKNWBIX-DIFFPNOSSA-N 381.307 0.533 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H]2c2nn[nH]n2)OC1(C)C 2282019348 KLRQCYRJIXJEHV-JTQLQIEISA-N 376.251 0.933 30 10 GCEE CC1(C)C[C@@H](O)[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282024392 AIXOYTJZVVLZSO-NEPJUHHUSA-N 382.291 0.789 30 10 GCEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282198800 BRDHGASYAYONRA-ZDUSSCGKSA-N 382.291 0.963 30 10 GCEE Cc1cc(S(=O)(=O)N(C)C(CO)CO)ccc1B1OC(C)(C)C(C)(C)O1 2282310055 ONXAPNQLVMFRJS-UHFFFAOYSA-N 385.291 0.268 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]34CNC[C@@H]3C4)c(F)c2)OC1(C)C 2282326004 MOQMDNDQNPILTH-GTNSWQLSSA-N 382.266 0.765 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cc2)OC1(C)C 2282340839 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Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCCNS(C)(=O)=O 2282691673 NCZULNNFJQWDAN-UHFFFAOYSA-N 382.291 0.573 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N3C[C@H]4C[C@H]3[C@@H]4N)cc2)OC1(C)C 2282834197 QJVKUPUVYNTNRU-VNQPRFMTSA-N 378.303 0.847 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H](O)CC2)n1 2282834302 RVTTZGXBIFORDZ-GFCCVEGCSA-N 385.295 0.255 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CCC(O)CC2)n1 2282839712 HYAPNNOMAKZVKM-UHFFFAOYSA-N 385.295 0.301 30 10 GCEE C[C@H]1COCCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282842505 ZCEHIDGJAVNPRF-LBPRGKRZSA-N 385.295 0.519 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2C[C@@]2(F)C1 2282854199 OOGZOJWUWGZFMK-BDJLRTHQSA-N 385.270 0.842 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@H]2COC[C@H]2CC(=O)O)OC1(C)C 2284388904 HASVCSFBSYWRBE-KOLCDFICSA-N 382.247 0.662 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4C(C(=O)O)[C@H]4C3)s2)OC1(C)C 2284417559 NAXHXHFFNSROQP-UWVGGRQHSA-N 399.299 0.998 30 10 GCEE Cc1cc(C(=O)NC2CN(CC(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284431595 MIRGIHTYHJBJHV-UHFFFAOYSA-N 380.275 0.854 30 10 GCEE CS[C@H](C)[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284467049 BMGMCZDUNIFHOL-MWLCHTKSSA-N 383.279 0.654 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC([C@H](O)CO)C2)OC1(C)C 2336778193 KQRWKYLRAPDLIU-GFCCVEGCSA-N 389.304 0.021 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2355940413 ONUGQYQELOJZLT-ARFHVFGLSA-N 378.473 0.946 30 10 GCEE CCO[C@@H]1CNCC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362499696 XXTSOQJGWKJUSO-CHWSQXEVSA-N 381.307 0.939 30 10 GCEE CCOC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#CC1(OC)CCOCC1 2363641945 UCEKFLXLOOPFDQ-KXBFYZLASA-N 386.489 0.805 30 10 GCEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1 2365204578 NUYLENUVGDPKMX-GXTWGEPZSA-N 399.517 0.796 30 10 GCEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN[C@H]4CCN3C4)s2)OC1(C)C 2368737609 NYXQWFOKQOYLMR-QWHCGFSZSA-N 377.319 0.823 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(C(=O)O)N1C[C@H]2CCO[C@]2(C#N)C1 2374741310 CCHNHVDWJGAAHU-HLNSBACISA-N 381.429 0.738 30 10 GCEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)CN21 15708409 NMFSYVQXAIOLAA-BBWFWOEESA-N 386.427 0.026 30 10 GCEE biogenic C/N=C(/NCC(=O)NC1CC1)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 261811407 HTJVPWZNRUXASM-UHFFFAOYSA-N 391.903 0.881 30 10 GCEE CO[C@H]1C[C@H](/C(O)=N/[C@H]2CC(=O)N(c3ccccc3)C2)N(S(C)(=O)=O)C1 329867133 VOBWPYBYBWXHTK-AEGPPILISA-N 381.454 0.797 30 10 GCEE N#CCN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 365495065 RLBYPLAQUHRJHD-SFHVURJKSA-N 381.436 0.130 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)nn1CCC#N 370366451 KOWCLIRKZFOGMR-UHFFFAOYSA-N 385.403 0.927 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 373369009 ITPGYFQUOAOXSB-JYJNAYRXSA-N 389.518 0.572 30 10 GCEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(OC)cn2)CC1 422434875 QZVQYCRYOWDPDJ-CRAIPNDOSA-N 388.468 0.836 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)O1 427320342 LQOWTMNPIFUJQM-CQSZACIVSA-N 382.424 1.460 30 10 GCEE C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 540941068 QLNTYIZUFHVZRY-JKIFEVAISA-N 392.481 0.997 30 10 GCEE C[C@@H](CO)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 566476307 XIVDRCVNEXNHCU-LBPRGKRZSA-N 387.483 0.365 30 10 GCEE COC1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 566807118 DDRCVAILWCUKCT-UHFFFAOYSA-N 387.483 0.724 30 10 GCEE N#Cc1c(Br)cccc1OCC(=O)N1CCn2nnc(CO)c2C1 570696369 LCFDXFHMSXOVNL-UHFFFAOYSA-N 392.213 0.826 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 572597060 QOSMFTYKMYMBGJ-GJZGRUSLSA-N 377.445 0.840 30 10 GCEE CCN([C@@H](C)CO)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c1 573578185 IFWWPZYLYJWSIX-STQMWFEESA-N 389.499 0.611 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCOC[C@@H]3c3ccco3)CC2)nc1 590986200 BDLFOECWGKXXHT-MRXNPFEDSA-N 395.419 0.795 30 10 GCEE CNC(=O)C1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 592788248 UMYOJRWYNUYRIU-UHFFFAOYSA-N 377.242 0.961 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 593582472 NQXDZRHULAZRQO-SLEUVZQESA-N 377.422 0.619 30 10 GCEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1ccsc1C#N)C2 593595287 MUXJSBWJRSXSDG-STQMWFEESA-N 382.511 0.982 30 10 GCEE CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 594807722 NPVJRSWHCXGZAW-VWYCJHECSA-N 391.437 0.620 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CC1 595130864 ZDQGIJNEBDARCV-INIZCTEOSA-N 393.451 0.347 30 10 GCEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN3CCCN=C3N2)cc1 597038313 KZXHJEDQXHUQGH-CYBMUJFWSA-N 383.437 0.377 30 10 GCEE CCOC(=O)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 599261673 WSJGRFGSVNSMSR-OAHLLOKOSA-N 381.454 0.179 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2COC2)cc1 600764970 WJMWCHIZDXEPPV-UHFFFAOYSA-N 385.467 0.288 30 10 GCEE C=CCNC(=O)NC(=O)CN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611673426 SEXYXJMGVGPSLV-OAHLLOKOSA-N 380.470 0.905 30 10 GCEE 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CC1(C)OB(c2cncc(S(=O)(=O)N3Cc4nc[nH]c4C3)c2)OC1(C)C 2282834230 QSKBFOLQJNAHKN-UHFFFAOYSA-N 376.247 0.808 30 10 GCEE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282845713 YASNTOSDGHYTGG-SNVBAGLBSA-N 386.254 0.667 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H]1C(F)F 2282847586 AZXILEQHGLCTOS-NXEZZACHSA-N 391.249 0.899 30 10 GCEE C#CCCN(C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282851567 DOHQCUDLLKYPLZ-UHFFFAOYSA-N 379.291 0.896 30 10 GCEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1COC[C@@H]1C(=O)O 2284427184 XATRBSBGWVGWFJ-ONGXEEELSA-N 382.247 0.614 30 10 GCEE COC(=O)C[C@H](NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284430003 NJTXJNXQOARWGO-JTQLQIEISA-N 383.231 0.793 30 10 GCEE C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2335806701 NHHKBSGIGVODIS-DCGLDWPTSA-N 388.486 0.606 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2336513146 RDUHDROLHGWVJS-KOLCDFICSA-N 384.288 0.311 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)OC1(C)C 2337398439 QDRBVJFBEMFEIT-MGCOHNPYSA-N 386.304 0.748 30 10 GCEE CN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2341668418 OUTPINABFUUEDD-JONQDZQNSA-N 386.514 0.798 30 10 GCEE Cn1cc(I)c([C@H](N)C#CC2(S(C)(=O)=O)CCC2)n1 2342055816 HFONPXHTKKPSIL-SNVBAGLBSA-N 393.250 0.995 30 10 GCEE CCN[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 2342456930 HIOJFCFJIHVFGS-QRJUGERDSA-N 386.514 0.798 30 10 GCEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2366845771 IYGWNVRVDQPDFZ-GFCCVEGCSA-N 379.243 0.741 30 10 GCEE C#C[C@]1(O)CCN([C@]2(C(=O)O)C[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 2377841813 LTJJADDCLLWNHA-WXRFYESLSA-N 380.441 0.678 30 10 GCEE C#C[C@]1(O)CCN([C@]2(C(=O)O)CCCOC23CN(C(=O)OC(C)(C)C)C3)C1 2378941127 JGWPKMBSCJAIED-HKUYNNGSSA-N 380.441 0.680 30 10 GCEE CC/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@H]1C[C@H]2CC[C@H]1O2 261836152 WBGHRPFMSIUYIN-HZSPNIEDSA-N 376.548 0.240 30 10 GCEE CC(C)/N=C(\NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2cnn(C)c2)C1 262375792 JLQVFYPMGDAEDL-HOTGVXAUSA-N 396.561 0.767 30 10 GCEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 281421329 KIYZQDVGPRTVCE-UHFFFAOYSA-N 399.451 0.436 30 10 GCEE C[C@@H]1CN([C@H](C)C(=O)N(C)C/C(O)=N/C2CC2)CC[C@H]1N1CCN(C)CC1 328950002 NFOZHMXRRMSBBO-JFIYKMOQSA-N 379.549 0.910 30 10 GCEE C[C@H](CN1CCN(C)CC1)/N=C(/O)N1CCC[C@H](C(=O)N2CCOCC2)C1 329170329 JYXIDADAVHOQGS-SJORKVTESA-N 381.521 0.107 30 10 GCEE C[C@H](/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)N1CCCCC1 330022793 HQOCRYPYQBFZGS-AWEZNQCLSA-N 392.460 0.469 30 10 GCEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1Cl 330592000 RHEDKZJMKHKBGM-UHFFFAOYSA-N 384.845 0.910 30 10 GCEE CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]1C1CC1 349458545 FJALYHYLARVBKT-UKRRQHHQSA-N 375.516 0.802 30 10 GCEE CCC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CO)C1 349477139 DOQNLCFSHLCXAQ-ZDUSSCGKSA-N 387.483 0.270 30 10 GCEE Cn1nc(C2CC2)cc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349506796 UDDFQLNXKMPHRI-UHFFFAOYSA-N 387.487 0.214 30 10 GCEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)=NO1 374223925 GJYYFOSTPYTFAI-ZIAGYGMSSA-N 377.445 0.855 30 10 GCEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 410440515 XGBLEHNCWJFPBC-HOTGVXAUSA-N 399.451 0.450 30 10 GCEE Cc1cccc(CN(C)C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 410798216 AJAPROTZHUUYPQ-UHFFFAOYSA-N 378.436 0.964 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCSC[C@@H]3CCO)C2)nc1 410955748 INLJAQBTAOAMHH-LSDHHAIUSA-N 390.465 0.259 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(F)(F)CN)CC1 418523517 LJEKYJMBZGTEKX-UHFFFAOYSA-N 387.412 0.168 30 10 GCEE Cc1c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)ccc(Br)c1C#N 425745169 POWZQBDECKNBGI-MRXNPFEDSA-N 395.257 0.751 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 425907617 CTESSJXLWVKSOW-HOCLYGCPSA-N 378.498 0.885 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 453623116 CBXSDFPLZJOELL-QGZVFWFLSA-N 385.468 0.864 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 481937390 KCNDAXVJRBPCRH-JSGCOSHPSA-N 399.494 0.118 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)CCC)CC1 513008527 HCELAWZZLGQHGB-UHFFFAOYSA-N 393.509 0.930 30 10 GCEE N#Cc1ccc2nc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc2c1 537872583 HXQPZSDKZOHVJV-UHFFFAOYSA-N 387.465 0.805 30 10 GCEE COC[C@]1(C)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 563429752 AVOJBPWMUUSXGN-OAHLLOKOSA-N 387.483 0.536 30 10 GCEE COCC[C@@H](COC)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 567801619 NUCVNCONXOJMAA-LBPRGKRZSA-N 389.387 0.989 30 10 GCEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)n1 587201770 SPDRFSZKBINAJL-UHFFFAOYSA-N 375.410 0.465 30 10 GCEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 588695427 LRJKTMXEVQHHPD-ZDUSSCGKSA-N 394.453 0.388 30 10 GCEE CCOC(=O)c1c(NC(=O)N2CN(C)C(=O)[C@H]2C)c(C#N)cn1CCOC 592246251 GTWIFIMKWVPTDD-LLVKDONJSA-N 377.401 0.835 30 10 GCEE CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593566782 NLACFCANLNCHIY-CYBMUJFWSA-N 384.410 0.543 30 10 GCEE COC[C@@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 594630814 ZNQQLMIYOXKPRB-ZDUSSCGKSA-N 399.494 0.821 30 10 GCEE C[C@@H]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 597306151 YLNYFQYTSYSGDH-OLMNPRSZSA-N 398.463 0.849 30 10 GCEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 598624421 CIPNJPIQCAAPIH-LBPRGKRZSA-N 383.449 0.525 30 10 GCEE CO[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCC1 599100295 AJDVSBRXHAJEOD-HNNXBMFYSA-N 375.429 0.982 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@](OC)(C(=O)OC)C2)c1 599407365 RUESZQJYKRYRBA-QGZVFWFLSA-N 382.438 0.555 30 10 GCEE N#Cc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)c(Cl)c1 610869668 ISACSWXEYOIHAE-UHFFFAOYSA-N 384.845 0.692 30 10 GCEE C=CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 613486361 PTSYPOMTLDUYKB-ZDUSSCGKSA-N 388.511 0.808 30 10 GCEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)C1=O 619496136 FHPDTQFTCUTYKD-MRXNPFEDSA-N 387.465 0.956 30 10 GCEE C=C(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 643841238 QZLNVYBIEKVVLW-LPHOPBHVSA-N 393.488 0.848 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)OCC)C2)c1 741225974 XLJCYTPIEOBXSN-HNNXBMFYSA-N 380.422 0.002 30 10 GCEE C[C@H]1CN(CCCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 754396828 CUQCQNBPJWBLEC-MHXJISAXSA-N 378.473 0.909 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 767436652 WZVUXTLPKKWDOH-UHFFFAOYSA-N 383.495 0.049 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 767740949 OUSSWLYZHFNHQJ-NSHDSACASA-N 379.417 0.975 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1[nH]cnc1C(=O)c1ccccc1 776345433 DPHAMJXTKZEVJP-JXAWBTAJSA-N 379.376 0.897 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(OC)c(C#N)c1 787290905 BBSCMEBYEOPMOR-VXGBXAGGSA-N 376.413 0.822 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C 789721603 QFJJZPUAOKBFMF-OAHLLOKOSA-N 395.481 0.727 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2Cc3ccccc32)n1 793679063 XWRIZIWQRWSVOL-QGZVFWFLSA-N 380.448 0.947 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 800054813 JGATVOWKMHMLOK-GDBMZVCRSA-N 381.502 0.766 30 10 GCEE C=C(Br)CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 805750227 YKMQKBKSYFXGTE-UHFFFAOYSA-N 383.246 0.559 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n([C@H]3CCOC3)c2C)CC1 831584188 HHBRIDGGDBWJNU-INIZCTEOSA-N 394.497 0.292 30 10 GCEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1)C(C)C 848955244 ZBESSSQOUOHSEI-HNNXBMFYSA-N 381.479 0.957 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 849433817 LILVOBWPFBURBX-UHFFFAOYSA-N 383.470 0.693 30 10 GCEE N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 850804812 DZNUZMBSDADNFT-QGZVFWFLSA-N 394.435 0.781 30 10 GCEE C=CCCCCCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861784148 SNKQNSJKQYWTNJ-CVEARBPZSA-N 378.473 0.633 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 861817927 VGYKYKODJRJJSU-LBPRGKRZSA-N 393.396 0.293 30 10 GCEE 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384.546 0.787 30 10 GCEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 928659033 CJMXUUNGUDHSLW-UHFFFAOYSA-N 397.522 0.596 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)C1CCN(C)CC1 930152038 DDUQEZRIGHRBDR-RBUKOAKNSA-N 390.528 0.302 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](OC)C1 941758382 CTVRDWQJTLYHHE-ZJPYXAASSA-N 393.484 0.178 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1OC 941977035 ZLMPQULQXNEGJT-DXEWXGHRSA-N 376.457 0.909 30 10 GCEE O=[N+]([O-])c1cc(C=Nn2cnnc2)c(N2CCOCC2)cc1N1CCOCC1 1081123536 HCGSGASEOFJRGA-UHFFFAOYSA-N 387.400 0.742 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)C1 1117931654 XZSHKHAUMRSZFZ-ZDUSSCGKSA-N 379.486 0.553 30 10 GCEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CC[C@H](N3CCCC3=O)C1)C2 1118842810 QHTPHWHEKKGFLQ-KRWDZBQOSA-N 380.448 0.861 30 10 GCEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 1129173540 MIAPDYIDRSHILI-SJORKVTESA-N 392.481 0.424 30 10 GCEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1134761406 XGGWUTGZKMEXCI-MRXNPFEDSA-N 381.392 0.508 30 10 GCEE C=CC[C@@H](CO)CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1152929354 FCUAEAIOFDTCPY-BXUZGUMPSA-N 376.862 0.280 30 10 GCEE N#Cc1cccc(CNC(=O)CN2C(=O)N3CCCC[C@H]3CS2(=O)=O)c1 1166707111 YONGSWKUSUYRLQ-HNNXBMFYSA-N 376.438 0.794 30 10 GCEE C=C(C)Cn1c(N2CCN([S@](C)(=N)=O)CC2)nnc1[C@]1(OC)CCOC1 1263296873 VHJCKWFSKHSFCB-QMTYFTJSSA-N 384.506 0.830 30 10 GCEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1 1263994695 ZONAMLVZKVRGOT-QKNQBKEWSA-N 384.480 0.869 30 10 GCEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1286601752 XURIBMYWIGCDCN-ZIAGYGMSSA-N 387.506 0.706 30 10 GCEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)F)CCO1 1303004876 UUVLZCODDCTUQX-VXGBXAGGSA-N 384.387 0.282 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCCN1CCNC(=O)C1 1306771796 CKCINOZFPRAJNP-HNNXBMFYSA-N 395.504 0.902 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)nn1 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399.428 0.540 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](C(=O)OCC)C2)nnc1[C@@]1(OC)CCOC1 1343429790 CAPPSVCWXZPECH-KBXCAEBGSA-N 380.445 0.885 30 10 GCEE C#CCN(c1nnc([C@@](C)(O)COC)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1344966553 UUODXKCGPOYPGW-YOEHRIQHSA-N 384.502 0.415 30 10 GCEE C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)CCOCC1 1345136919 YGUGFZHRAQVKQR-TWMKSMIVSA-N 387.480 0.235 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1 1347645077 SKPZHBKVVARVLV-KRWDZBQOSA-N 383.452 0.775 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1348045360 DRQQRGUBFBPDAM-MGPWXQLLSA-N 389.433 0.689 30 10 GCEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCC[C@@H](n3cc(CO)nn3)C1)C2 1349625014 SFVMXBZTILAILU-MRXNPFEDSA-N 380.408 0.348 30 10 GCEE C=CCOc1ccccc1CNC(=O)C(=O)NCC1(S(=O)(=O)CC)CC1 1350744976 LWTQYRUOUNMWRV-UHFFFAOYSA-N 380.466 0.951 30 10 GCEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 1358952460 MFPXXXYHCSLJFG-QGZVFWFLSA-N 387.532 0.496 30 10 GCEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358956010 YLSGINICPYFVSD-ZIAGYGMSSA-N 381.502 0.507 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCn1cc(CO)nn1 1359068633 IXBSJWBWXPLWOH-LJQANCHMSA-N 395.471 0.845 30 10 GCEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359299864 OQFXOSLBMRAQSL-HNNXBMFYSA-N 387.488 0.794 30 10 GCEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C[C@@H](C)O[C@H](C)C1 1472191993 PTRHLNSUIOETEE-KCYAQADSSA-N 383.514 0.517 30 10 GCEE COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)CC1=O 1475590381 GRIXAWYMUALTRD-CQSZACIVSA-N 398.460 0.155 30 10 GCEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1ccc(C#N)cn1 1478764163 PELSVMYQBYEJGI-UHFFFAOYSA-N 394.435 0.527 30 10 GCEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)NCc1cc(C#N)ccc1F 1479328915 WMODHTQMKFJDQI-UHFFFAOYSA-N 376.435 0.554 30 10 GCEE C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCOCCOC 1490638783 GBQVRBCXPRBOKY-OWSLCNJRSA-N 377.485 0.385 30 10 GCEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508091284 TYTREPFHYKHRHA-INIZCTEOSA-N 385.472 0.950 30 10 GCEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1509948681 BVHCIWFORQPXKH-CPUCHLNUSA-N 397.501 0.724 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CCO[C@H](CCCN(C)C)C1 1520278328 JAEUWRMHTPWTLJ-HUUCEWRRSA-N 398.533 0.375 30 10 GCEE COC(=O)[C@@H]1CCCN(CC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1=O 1530709587 YOILUYTUCSENRM-OAHLLOKOSA-N 396.407 0.219 30 10 GCEE Cc1cc(=O)cc(C)n1CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538766530 WEPQCIBKNBFBKV-MAUKXSAKSA-N 377.466 0.642 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOC1 1539295843 HDQMSEGIUUZSGG-HZPDHXFCSA-N 393.513 0.778 30 10 GCEE C[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1542014597 IMUVDJHAXKTBNM-ROUUACIJSA-N 392.435 0.762 30 10 GCEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1554403468 VVPVWYXYJLNQKD-IFXJQAMLSA-N 397.439 0.705 30 10 GCEE Cc1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)ncc1C#N 1557709800 VWXXSVOOOQXWRV-UHFFFAOYSA-N 385.449 0.872 30 10 GCEE C=C(C)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C(=O)OC 1557938453 PQHNXQXDSXXBDX-ZIAGYGMSSA-N 379.388 0.424 30 10 GCEE N#C[C@@]12CN(C(=O)[C@H]3CC[C@H](Nc4cnccn4)CC3)C[C@H]1CS(=O)(=O)C2 1558510883 GGSZRXIFHKQPOM-XSWJXKHESA-N 389.481 0.844 30 10 GCEE Cc1cc2[nH]c(=O)c(C(=O)N3[C@H]4CC[C@@H]3C[C@@H]4NC(=O)C#CC3CC3)cn2n1 1574235521 NSXAJEWTAQALCP-KBMXLJTQSA-N 379.420 0.606 30 10 GCEE Cn1c(N)c(C(=O)CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)n(C)c1=O 1620526944 WOFMQPMVINXCRP-ZDUSSCGKSA-N 395.341 0.614 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn(CCO)c2)cc1 1624926635 DSCQVZIVHIWGAJ-CAPFRKAQSA-N 391.453 0.941 30 10 GCEE O=C(C#Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1629918275 KPMBPNLNEAUBMX-UHFFFAOYSA-N 389.458 0.859 30 10 GCEE CC(C)(C)n1nnc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1631592717 SOQJEYFACYBLMK-UHFFFAOYSA-N 380.405 0.794 30 10 GCEE CCOC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1639707924 CTYUUJWQJDFZPS-AWEZNQCLSA-N 379.438 0.904 30 10 GCEE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821668 IXNASLMKWPGVDM-LSNOLFSQSA-N 397.522 0.641 30 10 GCEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(N)(=O)=O)CC1 1642512034 RWZSDDIPRIEZSZ-INIZCTEOSA-N 380.470 0.746 30 10 GCEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nnc2n1CCNC2=O 1644576034 YSYFHWXOJIPVBS-UHFFFAOYSA-N 393.407 0.702 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(CO)c2)cc1 1644712508 CLYKHPDMVDFFOD-UHFFFAOYSA-N 388.445 0.769 30 10 GCEE N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1669216699 GMBBJEHHDAJZPB-JTQLQIEISA-N 376.435 0.034 30 10 GCEE C=CCNC(=O)CNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1683170068 BRDCMKPDLPHYHK-UHFFFAOYSA-N 387.484 0.485 30 10 GCEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989884 JHXZXOBHSZWKAK-NWDGAFQWSA-N 392.403 0.971 30 10 GCEE C=CCOc1cccnc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1701704522 TWEJWIUVMJHHEG-LVOIYLQLSA-N 387.436 0.277 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 1702988509 XGTHGSLSEINZGD-BNOWGMLFSA-N 375.429 0.800 30 10 GCEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1705615257 NDIHGWYXWZOFED-UHFFFAOYSA-N 388.497 0.759 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COCCO1 1719894220 FESIISOGNOIJMC-WCVJEAGWSA-N 377.441 0.594 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccco2)CC1 1722437550 FNWOSYVYITXPIX-HXUWFJFHSA-N 395.467 0.935 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(C)=O 1722467706 WDSXPMNMZINYHG-CXAGYDPISA-N 396.517 0.407 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C)C(=O)C1 1722725829 TWPFXZKGZLVNPT-UHFFFAOYSA-N 392.485 0.163 30 10 GCEE CC(C)(C)OCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1723016855 MYXWXQOKCNHGPG-AWEZNQCLSA-N 376.461 0.944 30 10 GCEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cncn1 1730298868 CZOXPFXUAFLCKG-MRXNPFEDSA-N 394.439 0.898 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)CC)CC1 1740706109 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382.472 0.963 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H]1CCCO1 1122783658 KXJZGNSUKVJGLQ-ULQDDVLXSA-N 386.500 0.894 30 10 GCEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C#N)CCc1ccccc1 1151133202 PAMKFDJYGAURHF-JKSUJKDBSA-N 378.450 0.948 30 10 GCEE Cn1cc(CNC(=O)NCCCn2cc(CO)nn2)c(-c2ccc(C#N)cc2)n1 1226083010 OJDVPFFVRAGKPY-UHFFFAOYSA-N 394.439 0.932 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)NC(c2nccn2C)c2nccn2C)CC1 1253250730 GCLOUWDRFIMHLU-UHFFFAOYSA-N 383.456 0.414 30 10 GCEE C=CCCSCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1261716881 UUXSBSCWDMNQPB-OLZOCXBDSA-N 377.532 0.246 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)CC1 1262515230 XFARJOCGBCWNCG-ZDUSSCGKSA-N 376.375 0.525 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c(F)c1 1262771310 SZFIVRYLKDMXCO-HZPDHXFCSA-N 377.391 0.942 30 10 GCEE C=CCn1c(N2CCC[C@H](N3CCNC3=O)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1262988789 ZKXHKAVUWFFGHE-QMTMVMCOSA-N 389.504 0.370 30 10 GCEE 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0.846 30 10 GCEE C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1261629425 GCXRWVNQYDOCBZ-INIZCTEOSA-N 379.501 0.884 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1286788281 TZGXNMDAZRJKDZ-ZDUSSCGKSA-N 383.474 0.057 30 10 GCEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1286788663 BGAMEQNLMZSSNG-UHFFFAOYSA-N 393.455 0.486 30 10 GCEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1C(C)(C)C 1286824741 HRZRFQCIAWSZKQ-CYBMUJFWSA-N 383.518 0.843 30 10 GCEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301611366 BPXLHIVQYXBOKP-UONOGXRCSA-N 381.502 0.652 30 10 GCEE Cc1nn(CCC#N)c(C)c1CCC(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1302873894 INOMEOLIYQCGKK-SRABZTEZSA-N 383.408 0.316 30 10 GCEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1316264213 LMPKZWPSYPYRMM-UHFFFAOYSA-N 384.440 0.806 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1321249765 GDWRWQYVZQZRNM-ZDUSSCGKSA-N 382.463 0.887 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1322029771 KQGKRVXCVGRYPE-MRXNPFEDSA-N 392.477 0.739 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)n1 1324886897 UKZXKHPCXNWCHU-UHFFFAOYSA-N 397.439 0.549 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 1325109260 RKESUCUHUULWIS-KGLIPLIRSA-N 379.457 0.547 30 10 GCEE CN1CCN(c2ccccc2CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1329192541 AMLCNVJERDXBSS-MRCUWXFGSA-N 397.479 0.971 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 1329811614 SJUPYZKNFLDRGA-UHFFFAOYSA-N 396.426 0.837 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1330313592 QMJAAYGNFHFQJO-NONVJHHQSA-N 384.498 0.367 30 10 GCEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 1331268988 BYWIOYPZYVHINO-UHFFFAOYSA-N 392.477 0.539 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)nn1 1332042401 DXXJRHOOGCAJDF-VNHYZAJKSA-N 390.444 0.063 30 10 GCEE C#CCN(C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CCN(C)CC1 1332605302 AGTWRLNBZQUELD-IBGZPJMESA-N 390.528 0.302 30 10 GCEE C=CCN(C(=O)c1cn(CCO)nc1C1CCOCC1)[C@H]1CCS(=O)(=O)C1 1334605067 YUCVLHIAQCJGSW-HNNXBMFYSA-N 397.497 0.585 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CCN(C)CC1 1336186404 MBUPDCMJJFJJFE-KBPBESRZSA-N 375.391 0.769 30 10 GCEE C=CCn1c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)nnc1[C@@]1(O)CCSC1 1338661935 DVPYSATYXMTNHR-APHBMKBZSA-N 384.527 0.660 30 10 GCEE C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1338886151 WSKQEASLVDVYAB-OAHLLOKOSA-N 382.472 0.649 30 10 GCEE C=CCn1c([C@@H]2C[C@H]2Cc2ccccc2)nnc1N1CCN(CC(N)=O)C(=O)C1 1339798905 SPOIQNDWOUJKAB-IAGOWNOFSA-N 394.479 0.944 30 10 GCEE C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@](C)(O)c1cnccn1 1339910341 DLOHFHWFZXFXGY-OXQOHEQNSA-N 399.499 0.668 30 10 GCEE C=C(C)Cn1c(CN2CCC[C@H](O)C2)nnc1N(C)CCN(C)C(=O)OC 1342025660 DIPOJSYUQTWWGZ-HNNXBMFYSA-N 380.493 0.945 30 10 GCEE C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)o1 1342074059 ASUUJDZIUOFJFI-QPVORFQCSA-N 386.408 0.662 30 10 GCEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC(OCC(F)F)C1 1342963843 OXTNDTMEGHXBOF-LLVKDONJSA-N 377.417 0.689 30 10 GCEE C#CCC1(O)CCN(c2nnnn2CCNC(=O)c2ccc(C)c(F)c2)CC1 1343625990 JABFPNODAOBEBA-UHFFFAOYSA-N 386.431 0.905 30 10 GCEE C#CCN(c1nnc([C@H]2CC(=O)N(C)C2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1344048997 HOKHVUQVUDVPPV-LSDHHAIUSA-N 393.513 0.507 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H](C)O)n2C[C@@H]2CCOC2)n1 1344159341 DNVKSLITUIEMLI-CVEARBPZSA-N 388.472 0.851 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 1345214293 NPAOJLGOVDWLSZ-LSDHHAIUSA-N 377.466 0.098 30 10 GCEE COCCNC(=O)CN1CCN(c2nnc([C@H]3C[C@@H]3C#N)n2CC2CC2)CC1 1346642144 AGFJWPAOKCEVOZ-CVEARBPZSA-N 387.488 0.200 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCCN1C(N)=O 1347858529 NRGYPVOLEGVJSM-WCVJEAGWSA-N 376.457 0.208 30 10 GCEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1350792728 ZBUBETRLTUVBJS-DOTOQJQBSA-N 383.452 0.876 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1351177869 OFZGZKKBMFULBM-JQFCIGGWSA-N 392.477 0.870 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCO[C@H](CC(=O)OC)C1 1356606527 GPWHPANSYOCRAM-CABCVRRESA-N 379.461 0.626 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359332551 AIMBKONNNLSPEC-OAHLLOKOSA-N 395.529 0.888 30 10 GCEE C=C(Cl)C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C(=O)OCC 1454709174 DXUNGCUUSXKMMQ-AAEUAGOBSA-N 387.845 0.907 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)c2ccnn2C)c1 1463956705 UPCXOQGENSYHSJ-HNNXBMFYSA-N 392.437 0.529 30 10 GCEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1469978355 YUCSOFZJVFNDIE-QJPTWQEYSA-N 396.893 0.951 30 10 GCEE C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1490674886 CPDUWTYHXNRVFY-JSRQGNBESA-N 375.469 0.851 30 10 GCEE COCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504893277 IIKPYVPAPKDEHY-UHFFFAOYSA-N 380.412 0.860 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1507512179 FGHWINVMPKPXFD-QLFBSQMISA-N 384.440 0.923 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](F)COC 1507660025 KXVIUOQMXQEPBD-KBPBESRZSA-N 385.465 0.336 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(C)n1 1507714160 JDYUZXGWBYQLGQ-HOCLYGCPSA-N 389.460 0.265 30 10 GCEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1507853131 GZPVOJQXKKCZDI-JTQLQIEISA-N 381.911 0.210 30 10 GCEE C#C[C@H]1CCCN(c2nnc(Cn3cc(CCCO)nn3)n2C[C@@H]2CCCO2)C1 1514527727 CYSBGWHAGDQOTL-WMZOPIPTSA-N 399.499 0.871 30 10 GCEE C=C[C@@H](O)c1nnc(N2CCN(C(=O)COC)CC2)n1Cc1cccs1 1515073315 NXIQEGINLSNATL-CQSZACIVSA-N 377.470 0.902 30 10 GCEE C=C(C)Cn1c([C@@H]2CCCN2C(C)=O)nnc1N1CCN(c2nncn2C)CC1 1516162426 HFAPXLDMHNLMJM-INIZCTEOSA-N 399.503 0.993 30 10 GCEE C#CCN(c1nnc(CCO)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1518607194 NFIDVRUSQCTSKL-ZDUSSCGKSA-N 380.495 0.549 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCC[C@@H](O)C3)n2Cc2cc(C)on2)CC1 1521387101 FXKCXLGVPKQPAV-GOSISDBHSA-N 399.499 0.335 30 10 GCEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539117882 XFALFBDHKZZQPW-UONOGXRCSA-N 385.428 0.912 30 10 GCEE C#CCN(c1nnc(C2CCC2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1539223202 ZLIPVVWCLFETQP-AWEZNQCLSA-N 389.485 0.349 30 10 GCEE C#C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1556794443 IUVKJPIEJKSYEI-LURJTMIESA-N 381.635 0.474 30 10 GCEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)n1ccc2ccccc2c1=O 1558510825 CWJOBLREXDKEGK-WTANOLMUSA-N 385.445 0.959 30 10 GCEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCC#CCN(C)C)CC2)C1 1565496662 NRKFDAYUOBSOPY-QZTJIDSGSA-N 377.533 0.574 30 10 GCEE Cn1cc(C(C)(C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1570630107 XKKOKSKSLBJLNN-UHFFFAOYSA-N 390.469 0.685 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1OCC 1573211796 YGSRPXRTIQTSFA-LVQVYYBASA-N 381.473 0.083 30 10 GCEE C=C(C)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1574453563 FFERVQZCLBWSMX-KBXIAJHMSA-N 378.473 0.217 30 10 GCEE C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 1585686756 NXQUYJHWBWSPJU-VQHPVUNQSA-N 383.448 0.957 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1587561224 BLIVHJPTWDFSAU-QWRGUYRKSA-N 397.530 0.808 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595543995 DMSRKWFGLILXIX-XHSDSOJGSA-N 393.488 0.714 30 10 GCEE N#Cc1cc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1F 1611749261 DJWWIHNKPPDIAT-UHFFFAOYSA-N 391.359 0.113 30 10 GCEE CCOCc1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1616671101 QKWYPDJDABQHBF-WPCFGXOUSA-N 390.444 0.566 30 10 GCEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCOC[C@H]1C#N 1617304268 HFNCMJNKVJHBMT-UKRRQHHQSA-N 382.461 0.793 30 10 GCEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1620164972 BWFFOIHPAIJSFT-UHFFFAOYSA-N 393.494 0.430 30 10 GCEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@H]3CCN(O)C3=O)n2)cc1 1624906525 LZOBWILPCHDUOP-LBPRGKRZSA-N 395.462 0.862 30 10 GCEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1627136241 CPPJEEIOWVNCFU-JTDSTZFVSA-N 387.461 0.432 30 10 GCEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1 1635948857 IXYHZHDXKZQUOU-ZROIWOOFSA-N 379.438 0.882 30 10 GCEE C=CC[C@@]1(C(=O)NC[C@@H](O)CS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1636476224 BJAOEAABZPLYBW-DYVFJYSZSA-N 390.502 0.854 30 10 GCEE N#C[C@]12CN(C(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1648155781 OPVVTAKVIXLXOR-FMCLSXCISA-N 396.387 0.367 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nn3ccccc3=O)CC2)cc1 1654450761 BRYKJXHQBKFLDT-UHFFFAOYSA-N 386.433 0.891 30 10 GCEE C#CCN(CC#C)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1661704123 AMKACAQFYGTDFL-ROUUACIJSA-N 390.461 0.921 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1690056354 PCNDPNKBRRFPGL-LSDHHAIUSA-N 384.440 0.581 30 10 GCEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690154354 MOBDYKFGOTZEMM-AWEZNQCLSA-N 390.513 0.547 30 10 GCEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1690609067 BJFWZLBRGJBEKV-UHFFFAOYSA-N 385.490 0.198 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1691003467 HLCSDQCZEFZKSP-HUUCEWRRSA-N 399.517 0.829 30 10 GCEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1697769490 LGHUMAOWDTZUSY-IJLUTSLNSA-N 376.458 0.469 30 10 GCEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705510435 PXJOPJBUJOAKJI-MELADBBJSA-N 383.474 0.253 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1705627710 OBCHFOYLPKGEBP-ASHKIFAZSA-N 393.513 0.616 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC=C)CC=C 1705902401 DGGQCQIMMAOXIP-CQSZACIVSA-N 379.486 0.661 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CCN2CCCS2(=O)=O)C1 1705927634 CBUQBSFLLWHWHE-HNNXBMFYSA-N 399.517 0.631 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1722428696 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C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)CC 1749670118 RNWPCVADJOTOIR-UONOGXRCSA-N 383.518 0.965 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)CC 1760209426 CNBUWYSUAPNKMY-RHSMWYFYSA-N 381.502 0.512 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C 1760247477 COBUJSGGVQCPLY-MRXNPFEDSA-N 387.488 0.485 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1760249008 TVPFJWPWWBEWNH-HOTGVXAUSA-N 390.488 0.036 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CC(N)=O 1760555456 GEIWWWGRZHSWSY-KGLIPLIRSA-N 399.517 0.821 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnn2)C1 1771527569 AFNUYTPWJKWVTR-KRWDZBQOSA-N 387.423 0.638 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(COC)CCCC2)C[C@H]1O 1772545148 VVSRKUAKJNFSRB-HZMVEIRTSA-N 380.485 0.862 30 10 GCEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)[C@H]1C 1854275407 WNASWDCARPWVIO-HZPDHXFCSA-N 387.484 0.632 30 10 GCEE 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383.514 0.713 30 10 GCEE Cn1cc(C[C@@H]2CC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cn1 746373877 CLZLOAKWRCOCEH-QGZVFWFLSA-N 393.451 0.384 30 10 GCEE COCCS(=O)(=O)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 749621595 VEFQXODBHZFRQZ-AWEZNQCLSA-N 397.478 0.459 30 10 GCEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C#N)C1 754387193 SPNNTLGXXOBUFM-LLVKDONJSA-N 379.417 0.288 30 10 GCEE CN(C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1)S(C)(=O)=O 804776753 GOQQDWRZLBNCQB-GFCCVEGCSA-N 386.499 0.313 30 10 GCEE C#C[C@@H](NC(=O)C(=O)N1CCC(c2nnc3ccccn23)CC1)[C@H]1CCCO1 809306011 MCZBJNCRTDGXEM-HZPDHXFCSA-N 381.436 0.732 30 10 GCEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(C3CCOCC3)nn2)cc1 810516901 BBNBKCNPKVARLG-UHFFFAOYSA-N 375.410 0.761 30 10 GCEE C#C[C@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 838591209 DYOASCLPFIRDNW-RDJZCZTQSA-N 387.436 0.848 30 10 GCEE N#CC1(CC(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2F)CCOCC1 850297033 AOHLHZQVSJBWBA-UHFFFAOYSA-N 388.359 0.994 30 10 GCEE 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C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@]1(C)CN(C)C1=O 1539295914 IDHSJWKFKXISDT-OXJNMPFZSA-N 387.484 0.943 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)NC1CC1 1539318880 ZFGITIMANDECKN-MRXNPFEDSA-N 382.468 0.751 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)CC1 1539454099 WNFCLEYKNWHNMO-UHFFFAOYSA-N 381.484 0.497 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCC(=O)N2)CC1 1539481105 IEAJBKXUZGHISO-MRXNPFEDSA-N 384.484 0.790 30 10 GCEE N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)c2)cc1 1585883167 DWLUOPWAMABMTM-ROUUACIJSA-N 392.415 0.796 30 10 GCEE C=C(C)C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC 1596795068 QDACTWQRKDYDFH-LBPRGKRZSA-N 377.353 0.944 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCN1CCOCC1 1623373138 CZQBLCLBVBXFJT-MRXNPFEDSA-N 383.489 0.446 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCNC2=O)c1 1625969592 GNOHSYQANXTBMC-HDAKKWKLSA-N 378.454 0.964 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C2=CN(C)S(=O)(=O)N=C2C)n1 1635722022 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GCEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1682388286 BPEWSBZWSHUZOO-SANMLTNESA-N 382.494 0.146 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1690015776 XLWJFIRWFGOSSL-AWEZNQCLSA-N 380.456 0.697 30 10 GCEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1692595747 QAHCBDASXWGURB-KSSFIOAISA-N 392.460 0.136 30 10 GCEE CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1697022775 CKNANAWHFNTARG-GFCCVEGCSA-N 394.432 0.362 30 10 GCEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1705606965 MCSKYZIHSNGHAH-UHFFFAOYSA-N 389.481 0.896 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CC(N)=O 1705935891 FZZGMEBBJXSNMM-STQMWFEESA-N 385.490 0.083 30 10 GCEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1711278659 RPSQDNDOUKAZAD-DLBZAZTESA-N 396.451 0.635 30 10 GCEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1722390571 DLGHOJKQEWRBQB-RTWAWAEBSA-N 399.495 0.871 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 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397.501 0.445 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCNS(C)(=O)=O 1749066958 NXXIFDAFUZPUIM-RHSMWYFYSA-N 381.502 0.713 30 10 GCEE CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@@H]1CCCN(C(=O)CSCC#N)C1 1758834231 LDKCQXJERDQSEV-QSJFSLAZSA-N 381.498 0.744 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@@H]1C 1760098909 XQIAMVINTMSRCW-AYMQEEERSA-N 383.518 0.897 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2)CC1 1760252405 QDDAKLQTBBYKDR-UHFFFAOYSA-N 382.472 0.051 30 10 GCEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760272310 FZQUZIJDKHACQC-AWEZNQCLSA-N 390.513 0.547 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)C(=O)C1 1760518584 BQEFETHYXKKEDR-UHFFFAOYSA-N 384.440 0.960 30 10 GCEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1763798188 XCIGSGZNNUBWDD-KBPBESRZSA-N 385.490 0.582 30 10 GCEE CCS(=O)(=O)C1CN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1853991922 ILTOVMFTDRIFAT-GFCCVEGCSA-N 376.438 0.061 30 10 GCEE CCS(=O)(=O)C1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)C1 1853999122 YMSIQFOZIHUAGC-CQSZACIVSA-N 389.477 0.974 30 10 GCEE Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)c1 1854872420 JLDYWXLXDLUMLO-AWEZNQCLSA-N 379.438 0.595 30 10 GCEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 1855854496 SHMGOAKIWMHUAZ-OAHLLOKOSA-N 394.435 0.402 30 10 GCEE C=CCCC(=O)N1CC[C@H](N2CCC(Cn3ccc(=O)n(C)c3=O)CC2)C1=O 1857488788 WQCARWFGGQQOMI-INIZCTEOSA-N 388.468 0.353 30 10 GCEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1C[C@H](C)O 1870357097 YUWJRMIGRWPIBK-INIZCTEOSA-N 393.484 0.281 30 10 GCEE C#C[C@@]1(O)CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1892779110 DJRANYLEODATCF-CXAGYDPISA-N 386.470 0.007 30 10 GCEE C[C@H](NS(=O)(=O)N1CC(O)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 1914054218 LDRRVMMWNHORNH-LBPRGKRZSA-N 382.291 0.558 30 10 GCEE C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@](O)(/C(CO)=C(/C)C(=O)O)[C@H]12 1933228206 SDRMDKUSXOTWQD-YUVIXMMISA-N 394.420 0.230 30 10 GCEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118165494 BNWGBOORXSZTHD-IJLUTSLNSA-N 382.408 0.856 30 10 GCEE C#CC[C@H](NC(=O)NCc1c(I)cnn1C)C(=O)O 2133347339 WJEPZOAFQKDVJR-QMMMGPOBSA-N 376.154 0.300 30 10 GCEE COc1ccc(C#CCN)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2152220540 RFWDZLLTYUKCHC-UHFFFAOYSA-N 387.461 0.682 30 10 GCEE CC1(C)OB(c2ccc(NS(=O)(=O)N3CCC[C@H]3CO)nc2)OC1(C)C 2161849145 LRYXLRWQIHCJEI-ZDUSSCGKSA-N 383.279 0.494 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCN=c2[nH]ccc(C#N)c2N)C1 2162530418 UZCFKIGPXBEEBY-CYBMUJFWSA-N 395.485 0.793 30 10 GCEE CC1(C)OB(c2ccc(NC(=O)[C@@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)nc2)OC1(C)C 2174570804 MDMTZDRERLEFIB-DABQJJPHSA-N 378.259 0.610 30 10 GCEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1nc[nH]n1 2179134978 VHRAREAENMYPJO-UHFFFAOYSA-N 378.263 0.925 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C[C@H](O)CO)CC1 2180764939 NAHDTQPRNZWZQS-JKSUJKDBSA-N 383.489 0.181 30 10 GCEE CC[C@@H](C#N)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC1 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384.673 0.091 30 10 GCEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](C)S1(=O)=O 2282577947 LOSKTRZUIQEAMQ-PHIMTYICSA-N 383.279 0.357 30 10 GCEE COCCN1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282619402 YQEQHXZKOKAIER-UHFFFAOYSA-N 381.307 0.847 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCOC3=O)ccc2F)OC1(C)C 2282844129 YNMTWLIOEHYRLU-ZDUSSCGKSA-N 385.222 0.719 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCOC[C@H]3CN)c2)OC1(C)C 2282862387 BWCHXEFZRSIZQN-CQSZACIVSA-N 382.291 0.334 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCCO1 2282863466 RTEQMJFDRTYGDT-MRXNPFEDSA-N 385.295 0.567 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCN[C@H]4C[C@@H]43)c2)OC1(C)C 2282876621 GLIIGIPYXWWWOM-HOTGVXAUSA-N 378.303 0.862 30 10 GCEE Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284426799 RBOGMCJQWJDBQZ-NXEZZACHSA-N 382.247 0.411 30 10 GCEE Cn1cc(C(=O)N=[S@](C)(=O)CCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2284460998 JICLFDJXULRJLG-AREMUKBSSA-N 385.251 0.432 30 10 GCEE 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N#Cc1cccc(S(=O)(=O)CCN2CCN(c3ccc4nncn4n3)CC2)c1 128614881 JCLLVXMIZRIOOY-UHFFFAOYSA-N 397.464 0.592 30 10 GCEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 185210778 PLANXBFEIQLLIZ-VQIMIIECSA-N 390.509 0.948 30 10 GCEE C/N=C(/NCC(=O)N1CCc2ccccc2C1)N1CCC[C@]2(CNC(=O)C2)C1 261755445 MIBTWKGKEDMVGJ-NRFANRHFSA-N 383.496 0.749 30 10 GCEE CN1CCN(Cc2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 265413879 HVFIWTKNBDXZHR-VZCXRCSSSA-N 397.479 0.690 30 10 GCEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1C 271584196 IFLJRPRKBLYGHY-UHFFFAOYSA-N 396.407 0.366 30 10 GCEE CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)C(F)F 295543323 SMWBUVVIENTCSI-XDTLVQLUSA-N 375.397 0.746 30 10 GCEE COC[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349461726 WSOCTDCLWPCFOS-ZDUSSCGKSA-N 398.466 0.134 30 10 GCEE CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 349482381 RIRVCCKZCXCTRJ-HNNXBMFYSA-N 399.494 0.366 30 10 GCEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@]3(C2)CC3(F)F)CC1 349524758 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397.479 0.208 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)CC2)n1 460031332 YMHYGWGYJRWACX-SFHVURJKSA-N 396.495 0.689 30 10 GCEE C[C@@](O)(CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 527872596 VPRZYWKIRASJLH-LJQANCHMSA-N 383.408 0.685 30 10 GCEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)c(=O)nc1O 528018891 POFSPMHWTVZIMV-CQSZACIVSA-N 398.398 0.805 30 10 GCEE Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)ccc1C#N 528049366 YLZVYBFVLBFBRT-UHFFFAOYSA-N 377.470 0.198 30 10 GCEE CNC(=O)NC[C@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)CCO1 529735379 TWMVCCWLRAWPFQ-HNNXBMFYSA-N 390.440 0.882 30 10 GCEE N#Cc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1Cl 538684462 LJWVIJUSAFBTIW-UHFFFAOYSA-N 376.844 0.828 30 10 GCEE Cn1c(NCC2(O)CCN(Cc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 578965711 PYMXHFDBDFKGNQ-UHFFFAOYSA-N 383.452 0.395 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCCN1CCO 593604274 OKPFNHHCFMFTQW-AWEZNQCLSA-N 381.454 0.470 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCOC1 594634663 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C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccnn3)CC2)c1 299638377 LKTNKELGXASXSM-UHFFFAOYSA-N 387.465 0.903 30 10 GCEE CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 331132840 JRYMZFLQSNRGDH-CYBMUJFWSA-N 379.486 0.483 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 408127976 IJNJZNWGQIFRFS-UHFFFAOYSA-N 398.510 0.595 30 10 GCEE C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCN(S(=O)(=O)N(C)C)CC1 411744289 GRBYDBXSSBYHIQ-AWEZNQCLSA-N 379.486 0.699 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCO[C@@H](C4CCC4)C3)C2)nc1 414600576 PWYQJSFOOGYMJF-IAGOWNOFSA-N 384.436 0.960 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C 416304477 HZOBHSIIKQWFOE-ILXRZTDVSA-N 394.497 0.139 30 10 GCEE C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 420599675 MTOXSNKAQUMJQS-CVEARBPZSA-N 387.436 0.954 30 10 GCEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 426059332 HJFRISZFEUGBBP-OLZOCXBDSA-N 376.413 0.693 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CCOC)cc2)CC1 506917217 LEZGEXXZYOSJMD-UHFFFAOYSA-N 381.498 0.484 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSC[C@@H]1CCO 511349065 CEIRBYXVYROKJY-OCCSQVGLSA-N 383.495 0.551 30 10 GCEE COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C(=O)CC#N)CC1 519835476 PTSLACTYPUWOQP-UHFFFAOYSA-N 380.426 0.400 30 10 GCEE N#Cc1cn(C2CN(C(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)C2)c(=O)nc1O 527823601 WOHLLGAIHOCRPM-BBWFWOEESA-N 377.404 0.973 30 10 GCEE COc1ccc([C@@H](CNC(=O)[C@@H](C)n2cnc(C#N)n2)N2CCOCC2)cc1 546672816 KOPDAASBJUJSPN-RHSMWYFYSA-N 384.440 0.909 30 10 GCEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 555272709 MQSYLAGMTWYHFR-CXAGYDPISA-N 396.517 0.571 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1=O 569659152 UXGCSSLOUXUNPA-QGZVFWFLSA-N 386.452 0.707 30 10 GCEE Cn1nccc1[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)OC(C)(C)C 592316110 KCPIROLKHBYPKS-AWEZNQCLSA-N 384.396 0.824 30 10 GCEE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593783200 YBTMPHJWPQOTAW-DNVCBOLYSA-N 383.496 0.753 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@]3(C2)CC3(F)F)c1 594630077 BSGNHQWZPPEVNK-CYBMUJFWSA-N 391.421 0.908 30 10 GCEE C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 595213348 USJOWYYISCDVAJ-LRAJWGHMSA-N 396.447 0.784 30 10 GCEE CN1NN=C2C1=NCC[C@H]2C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 597039534 RJWWXYRTSMOOKX-ZIAGYGMSSA-N 397.464 0.623 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CCN1Cc1ccccc1 599445465 STNISNQGROZMGF-CNNODRBYSA-N 396.491 0.844 30 10 GCEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2nccs2)c1=O 600608170 UATQOPXTLRKZTD-UHFFFAOYSA-N 376.394 0.563 30 10 GCEE Cc1nsc(N2CCN(S(=O)(=O)C[C@H]3CN(C)CCO3)CC2)c1C#N 601416120 LYYCSRAYLKPHMN-CYBMUJFWSA-N 385.515 0.106 30 10 GCEE N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615456187 IEOKJVRSWCUOMS-GOSISDBHSA-N 399.476 0.554 30 10 GCEE CC#CC[C@@H](CO)NC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 645596186 MJEVGGPPXKFBEY-GJZGRUSLSA-N 379.432 0.813 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 669181265 UQLAFQZONGZQFN-ZQIUZPCESA-N 391.472 0.928 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(OC)c(OC)c2)C1=O 726042107 CACBTUDMFMBBHO-UHFFFAOYSA-N 390.348 0.407 30 10 GCEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H](O)C(F)(F)F 736216686 SFWMUQVYYRXDNL-LBPRGKRZSA-N 393.387 0.935 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1 750440293 MBXWNFGSDJXNOY-HNNXBMFYSA-N 397.520 0.777 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 752835125 KRGREOSPBUKBFP-DLBZAZTESA-N 375.473 0.690 30 10 GCEE C#CCN(C(=O)NC[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 774168685 NZRQAUJTEREGJK-GJZGRUSLSA-N 387.502 0.979 30 10 GCEE C#CCN(C(=O)NCCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 774245217 BAJTWSAXBMMOCW-ZDUSSCGKSA-N 376.438 0.574 30 10 GCEE Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)c1 798748323 VFQYNWAWBWDDMD-CQSZACIVSA-N 398.423 0.934 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCO1 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393.509 0.493 30 10 GCEE C=CC[C@H]1CCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 934463515 BDHBDQRDOCSJMB-KRWDZBQOSA-N 393.509 0.974 30 10 GCEE COc1cccc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)c1O 1084626768 YJHXCMHHJMRLOS-UHFFFAOYSA-N 389.401 0.814 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 1117022398 KLJRZOBPCXNVHN-MOPGFXCFSA-N 387.480 0.980 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C1 1117540308 UVESPZPSOZLYGZ-MRXNPFEDSA-N 376.457 0.442 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1117927592 CDBUEUHJUNDBMK-CVEARBPZSA-N 384.436 0.428 30 10 GCEE C=CC[C@H]1CCN(C(=O)C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)C1 1118892140 IVXPKTCBLDBAEU-INIZCTEOSA-N 387.484 0.813 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)C1=O 1119086472 RDGUCCPFHWROFJ-RYUDHWBXSA-N 387.362 0.348 30 10 GCEE C#CCN(C(=O)C(=O)N1CC[C@](OC)(C(F)(F)F)C1)C1CCN(C)CC1 1120499698 DSWFPRGISHYLSD-MRXNPFEDSA-N 375.391 0.722 30 10 GCEE 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C=CCNC(=O)CN1CCN(CCCS(=O)(=O)c2ccccc2OC)CC1 464277530 VHJGCJCFQZWAED-UHFFFAOYSA-N 395.525 0.779 30 10 GCEE CS(=O)(=O)c1n[nH]c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 493367407 GTHSBPUSKDDEHC-JTQLQIEISA-N 378.389 0.684 30 10 GCEE CN(C)C(=O)CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507310829 DIXLVHXAGXDOEZ-IBGZPJMESA-N 380.489 0.871 30 10 GCEE Cc1c(NC(=O)C(=O)N2CCN(C)C(=O)C2)ccc(Br)c1C#N 517133799 NAXLVCBPJZQMII-UHFFFAOYSA-N 379.214 0.868 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](C)N1CCCCC1=O 526014771 GVOSYCRYGCBRPS-ZIAGYGMSSA-N 392.481 0.742 30 10 GCEE N#Cc1cn(C2CN(C(=O)c3cc(OCC(F)F)ccn3)C2)c(=O)nc1O 530271898 PNAYLLFKYNJTKT-UHFFFAOYSA-N 377.307 0.557 30 10 GCEE Cc1ccc(C(=O)NCCc2nnc3n2CCC3)cc1S(=O)(=O)NCC#N 553498271 ORVBCIWSYMZIAL-UHFFFAOYSA-N 388.453 0.307 30 10 GCEE CCOC(=O)C1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCOCC1 554729755 HZLKVLZAHOVIAO-CQSZACIVSA-N 387.440 0.745 30 10 GCEE CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCO1 567388345 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C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nc3nc(N)nn3c2C)n1 791013258 WPBKMFKMVZRSHB-UHFFFAOYSA-N 396.455 0.371 30 10 GCEE COc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1C#N 806710715 ACGDDQFADBQQRD-HNNXBMFYSA-N 389.408 0.221 30 10 GCEE C#CCN(CC(=O)N[C@@H]1CC12CCOCC2)CC(=O)N[C@@H]1CC12CCOCC2 823374411 SROMWGYBRLMRTE-IAGOWNOFSA-N 389.496 0.292 30 10 GCEE COc1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1C#N 827270951 HMDLMEHEPFMXOZ-HNNXBMFYSA-N 381.454 0.785 30 10 GCEE CN1NN=C2C1=NCC[C@H]2C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 829694289 KHLSHHSZFLZJHT-VXGBXAGGSA-N 375.433 0.182 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 832755262 FUBSTTCCEKXBSW-MRXNPFEDSA-N 382.464 0.819 30 10 GCEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 838591207 DYOASCLPFIRDNW-NVXWUHKLSA-N 387.436 0.848 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 845839078 GSMYRKWRVAGMGD-ZIAGYGMSSA-N 379.438 0.486 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@]2(CCOC2)O1 846269474 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30 10 GCEE C[C@H](C#N)CN(C)S(=O)(=O)NCCOCCN(C)C(=O)OC(C)(C)C 859312400 NDNSRBFXTPJMNE-CYBMUJFWSA-N 378.495 0.796 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 862194622 LOZDDOPROXQWFQ-AUUYWEPGSA-N 386.408 0.176 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 862195404 VEGJQOZDLQOFCX-AAEUAGOBSA-N 380.372 0.859 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)CC1 867315178 XSSIWHNMZPODFM-JKSUJKDBSA-N 385.493 0.813 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 895547916 IZBHGGDDTIVYFV-KBPBESRZSA-N 380.873 0.486 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)c1 899617433 MJKDXGUBTPPKPK-OAHLLOKOSA-N 390.383 0.985 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC)o2)c1=O 901851304 WVEGNGOAYGNJES-UHFFFAOYSA-N 383.429 0.316 30 10 GCEE C=CCN1CC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1=O 910192286 WBXKZKVILOIJBK-KGLIPLIRSA-N 380.441 0.897 30 10 GCEE 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398.462 0.709 30 10 GCEE CC1(C)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]2COC[C@H]2O1 593900811 WOPXYSKFCIXKRO-HUUCEWRRSA-N 379.438 0.241 30 10 GCEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(C(=O)CC#N)CC2)CC1 594003133 GIOMUOHURLWNFP-SFHVURJKSA-N 383.496 0.950 30 10 GCEE COCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 594315520 ZSVLSKBVDXXIAZ-LBPRGKRZSA-N 379.438 0.854 30 10 GCEE C=C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 594539767 HOOQKHTZQDCOFL-XJKSGUPXSA-N 399.494 0.843 30 10 GCEE C[C@]1(C#N)CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](C)(C#N)C2)C1 595372618 VLSWHLIHUZUTQW-GASCZTMLSA-N 388.515 0.507 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 598182939 GRQUPPJXPSOQPR-SGMGOOAPSA-N 399.494 0.307 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2C(N)=O)CC1 598647855 MNWGAQUFUIPUJZ-LBPRGKRZSA-N 377.420 0.447 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)n1 599466433 ISKJNLHKTDADEF-SFHVURJKSA-N 396.495 0.735 30 10 GCEE 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CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 820242036 ZSRRGSNCZZPTFD-HNNXBMFYSA-N 398.506 0.590 30 10 GCEE C#CCN(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 824768989 OUWKAXXNNFQKBB-QWRGUYRKSA-N 384.376 0.702 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 829214928 QFTMTDLGJVGFGU-BARDWOONSA-N 397.447 0.747 30 10 GCEE COc1ccc(CNC(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1C#N 829352112 WFPNEBJYJGHWPA-OAHLLOKOSA-N 387.440 0.397 30 10 GCEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)nn1 829590286 ZSZFAMUOMLHNTC-GJZGRUSLSA-N 383.460 0.429 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)cc(OC)cc2Cl)CC1 831585079 SEJDLGFFSOHRRK-UHFFFAOYSA-N 389.836 0.713 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 839599401 ZICCEOVSFWAEMX-LBPRGKRZSA-N 393.827 0.850 30 10 GCEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 841548983 UXJOOOMYWHVILC-PSKZRQQASA-N 395.433 0.913 30 10 GCEE 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC(F)(F)F 2267720464 KMELNCAQFWIOBU-UHFFFAOYSA-N 384.189 0.345 30 10 GCEE CN(C)C(=O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267728005 NNIBHKRRFRHIDA-UHFFFAOYSA-N 388.320 0.804 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H]2C(=O)O)OC1(C)C 2269016292 NPGVSCVCZBOWBZ-BDAKNGLRSA-N 388.276 0.335 30 10 GCEE C#CC1(N(C)C)CN(C(=O)[C@@H](Cc2ncns2)NC(=O)OC(C)(C)C)C1 2274574473 AVGPXMQBIHOVDT-GFCCVEGCSA-N 379.486 0.750 30 10 GCEE CN(C)C[C@@H](CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282005925 RUBWHBMJEDMNBQ-LBPRGKRZSA-N 383.685 0.687 30 10 GCEE COC(=O)[C@]1(N)C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282006899 XPMGZGFTRFDPAR-QLKSEXHHSA-N 381.263 0.205 30 10 GCEE C#CCNC(=O)CNC(=O)c1nc(CC)sc1B1OC(C)(C)C(C)(C)O1 2282013162 FSCQWIXNLGLGSM-UHFFFAOYSA-N 377.275 0.484 30 10 GCEE CON1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282303214 UBJKUWXCXDCTAL-UHFFFAOYSA-N 383.279 0.249 30 10 GCEE Cc1ccc(S(=O)(=O)NC[C@@](C)(N)CO)c(B2OC(C)(C)C(C)(C)O2)c1 2282326365 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0.645 30 10 GCEE CC1(C)CNC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)O1 2282602832 YIVYTXLDJCHRFV-LLVKDONJSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@H]3[C@H](O)CO)cs2)OC1(C)C 2282635600 YPQQCNYFNWRGJL-CHWSQXEVSA-N 383.275 0.242 30 10 GCEE Cc1sc(C(=O)N[C@@H]2CN(C)NC2=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282642746 RKFYERJNFRRJFE-LLVKDONJSA-N 379.291 0.739 30 10 GCEE C[C@H]1[C@H](O)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282850217 MCHZTWIXSBWANK-WCQYABFASA-N 385.295 0.253 30 10 GCEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2283070947 ZLXKBBMIGMAPIE-WPRPVWTQSA-N 375.156 0.817 30 10 GCEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NOCC(=O)O)OC1(C)C 2284395356 KIAVEVUVAWZKAI-UHFFFAOYSA-N 393.173 0.559 30 10 GCEE C=CC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284399590 MCCBFRWYDCLDFS-ZDUSSCGKSA-N 382.247 0.688 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)NS(=O)(=O)c2ccccc2)OC1(C)C 2284423442 RPTHKOGVNXISKK-UHFFFAOYSA-N 377.231 0.828 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCN(CC(=O)O)C2)OC1(C)C 2284431682 NMTIPXWWHLERRF-SNVBAGLBSA-N 381.263 0.331 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@]2(C(=O)O)C[C@H](CO)C2)OC1(C)C 2284467295 VZWZHXRUEYRXEY-IKCYDLRASA-N 382.247 0.398 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H](CC(=O)O)[C@@H](O)C2)OC1(C)C 2284468043 LETGSXJAXKDKDW-JQWIXIFHSA-N 381.259 0.955 30 10 GCEE Cc1sc(C(=O)N2NC(=O)C[C@@H]2C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284487922 QDQUIMURCSCGHC-SNVBAGLBSA-N 380.231 0.686 30 10 GCEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CC[C@H]2NC(=O)OCc2ccccc2)CC1 2302962034 DPWAYFAVXCSNGY-FRQCXROJSA-N 392.477 0.714 30 10 GCEE CC#CCN(CC(=O)N[C@H](CSCC(=O)O)C(=O)O)C(=O)OC(C)(C)C 2337866091 RKNINWQZUKPAFD-LLVKDONJSA-N 388.442 0.634 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)NCC(F)(F)C(F)(F)CO)OC1(C)C 2361667317 NRSAZJLGWWCGMC-UHFFFAOYSA-N 381.135 0.702 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CNC[C@@H]2S(C)(=O)=O)n1 2362153317 KYPBLYBQKVPWDU-KBPBESRZSA-N 381.307 0.486 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCO[C@@H](C(=O)O)C2)OC1(C)C 2362503285 OONIJQSQPKTFFT-GXSJLCMTSA-N 382.247 0.804 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C(=O)O)(N3CCO[C@@H](C#N)C3)C[C@H]21 2373010524 XVEYOSMDJMSMGV-HNSFDTNUSA-N 381.429 0.832 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 2376720769 FFBISXWDLJWZNB-PJIJBLCYSA-N 379.457 0.958 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCCC#CCO)C(=O)O 2377340252 PUSBUZPCMRKUIK-NYMLVNCVSA-N 382.457 0.735 30 10 GCEE CC#CC[C@H](CO)NC1(C(=O)O)CCN(CCNC(=O)OC(C)(C)C)CC1 2377831031 OPVVELOXSZAYEY-OAHLLOKOSA-N 383.489 0.794 30 10 GCEE C#CCNC(=O)CN[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2379438650 DVMDIBVNDNHDPB-WZFJYNIESA-N 379.457 0.862 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccsc2C(=O)OC)CC1 22849314 OYUMVIVQEGCKRA-UHFFFAOYSA-N 380.470 0.393 30 10 GCEE N/C(=N/OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccnc1 54390832 CHXFQXLTRYNADU-HNNXBMFYSA-N 380.470 0.677 30 10 GCEE C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO 77293499 BVMVQKFXKDRESB-BTQWEEGISA-N 380.481 0.544 30 10 GCEE in-vitro N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1F 128786411 COMNYLJDIKEGOO-UHFFFAOYSA-N 380.445 0.626 30 10 GCEE Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)n1 173704058 PTLNDSOLFSUZAK-AWEZNQCLSA-N 377.401 0.905 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CN3CCN2CC3)ccc1F 178626064 VJSKAYRPLDSDHT-AWEZNQCLSA-N 382.461 0.020 30 10 GCEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3ccon3)CC2)n1 179785320 CATBPMKJKJDAHC-UHFFFAOYSA-N 385.428 0.781 30 10 GCEE O=C(O)c1ccc(O)c(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)c1 254450893 XAIDAMLDBHWWKN-UHFFFAOYSA-N 389.389 0.868 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 273479433 ZKCQHEIBCTXUSW-CKEIUWERSA-N 389.452 0.928 30 10 GCEE Cc1cc(CN(C)C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)no1 298445432 VLGMKNOLHRBLRS-UHFFFAOYSA-N 388.453 0.927 30 10 GCEE N#CC1(N(C2CC2)S(=O)(=O)CCCS(=O)(=O)N2CCCO2)CCC1 349469087 QFQOGXHCOJLGQT-UHFFFAOYSA-N 377.488 0.584 30 10 GCEE Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H]2C2CC2)ccc1C#N 349473866 ZVXMXGHHRLAOLL-HNNXBMFYSA-N 398.510 1.208 30 10 GCEE COc1ccc(C#N)cc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 368112094 KKIZOKAPSZYHDX-UHFFFAOYSA-N 381.458 0.913 30 10 GCEE C=CCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 378619515 FHWSSALQKASJSS-HIFRSBDPSA-N 388.873 0.783 30 10 GCEE C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410639332 RZDLYHWTFQUOEA-WBVHZDCISA-N 385.468 0.754 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)CC2)n1 410802904 SPZCDCYDQUOQKK-HOTGVXAUSA-N 383.452 0.487 30 10 GCEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 437493142 SLPDFDVKTAIYPV-MLGOLLRUSA-N 386.452 0.906 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H]2CCNC(=O)CC2)CC1 450249684 BPQLZRZLNLDMIH-HNNXBMFYSA-N 376.482 0.781 30 10 GCEE CN(C)S(=O)(=O)CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473587358 LVGUSGXJOIZITL-HNNXBMFYSA-N 384.889 0.940 30 10 GCEE COC(=O)Cn1ncc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1C 483946064 OKYCEQRNBCTXLN-UHFFFAOYSA-N 385.380 0.370 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)c1 534340630 VPVALVWZVAAGPO-UHFFFAOYSA-N 391.497 1.000 30 10 GCEE N#CC1(CS(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCC1 546777493 CLJSGDNTLVVSIJ-BYNSBNAKSA-N 377.466 0.797 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NCC)CC1 549675429 JPZLQOMRLAUMMS-HNNXBMFYSA-N 378.477 0.200 30 10 GCEE Cn1c(N2CCN(c3nccc4sccc34)CC2)c(C#N)c(=O)n(C)c1=O 554690576 ZINCIWNZKYYITK-UHFFFAOYSA-N 382.449 0.892 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CO[C@@H](C)C2)c1 570528978 HQCNUCABVOYZNL-AVGNSLFASA-N 387.483 0.723 30 10 GCEE CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@]2(CCOC2)O1 577805207 LTPSATVKUCBBRZ-KDOFPFPSSA-N 375.429 0.840 30 10 GCEE C[C@H]1CN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673827 VGIFVGFQOUTTDU-GXKMTTQOSA-N 386.408 0.696 30 10 GCEE 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30 10 GCEE C=CC[C@H](NC(=O)NCc1c(I)cnn1C)C(=O)O 2133347001 QPXJWZVQYNWBQK-QMMMGPOBSA-N 378.170 0.853 30 10 GCEE CC(C)(C#CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O)NC(=O)OC(C)(C)C 2138162271 TYEPWYVCUZBYMQ-CYBMUJFWSA-N 387.502 0.963 30 10 GCEE Cn1cc(S(=O)(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2144428218 CYEHXZZURXLPBO-UHFFFAOYSA-N 378.263 0.593 30 10 GCEE COC1CN(S(=O)(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2161949070 YBTQDTWMSUVLCG-UHFFFAOYSA-N 382.291 0.651 30 10 GCEE Cc1c[nH]c(C#N)nc1=NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2162417757 ILSAJWQGGNFALI-CYBMUJFWSA-N 395.485 0.915 30 10 GCEE Cc1ncnc(N2CC[C@H](NS(C)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2172781757 IPEJMNZGMVDZRK-LBPRGKRZSA-N 382.295 0.212 30 10 GCEE CC1(C)OB(c2cnc(CNC(=O)C3[C@H]4CS(=O)(=O)C[C@H]34)s2)OC1(C)C 2174573501 MGZCUYMKWHXJTE-UWVGGRQHSA-N 398.315 0.349 30 10 GCEE C#CCCOCC(=O)N1CCOC[C@]12COCCN(C(=O)OC(C)(C)C)C2 2187213763 DTRLHQWPJOBDGC-IBGZPJMESA-N 382.457 0.891 30 10 GCEE C=C1CC(NC(=O)[C@@H]2[C@@H](OC)[C@@H](OC)CN2C(=O)OC(C)(C)C)(C(=O)O)C1 2205442790 UDNLMJHFKYYHBD-AVGNSLFASA-N 384.429 0.925 30 10 GCEE C=C(CS(=O)(=O)NCC(C)(C)S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2255795242 UBENFLNRGAWHSJ-UHFFFAOYSA-N 381.325 0.917 30 10 GCEE Cc1cc(S(=O)(=O)NC2[C@H]3CNC[C@H]23)sc1B1OC(C)(C)C(C)(C)O1 2267353669 FDNDHWZQZYTNEY-QWRGUYRKSA-N 384.332 0.852 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H](O)C(F)F)OC1(C)C 2267373123 YYKGEDPMCUBYTP-LLVKDONJSA-N 377.218 0.890 30 10 GCEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CSC1 2267708499 KULFVXHYXUUVOP-VIFPVBQESA-N 388.324 0.144 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CCO[C@]3(C(=O)O)C2)C1 2281248950 WNWWLIVRFPSWBL-ZATJTLBYSA-N 378.425 0.995 30 10 GCEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O 2281938888 ANVCWXRTVOTTPX-CMPLNLGQSA-N 380.275 0.416 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2CCO[C@@H]3C[C@H](O)C[C@@H]32)OC1(C)C 2281998928 VHNAMAOVVQNWCZ-KGYLQXTDSA-N 380.275 0.807 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CO[C@H]3COC[C@@H]23)OC1(C)C 2282014728 SCRMMTPMQCXHKD-MDZLAQPJSA-N 380.275 0.834 30 10 GCEE CN1C(=O)O[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282019530 NAAYEHKLJGKFJX-GHMZBOCLSA-N 379.247 0.717 30 10 GCEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@H](CS(C)(=O)=O)C3)c2)OC1(C)C 2282051662 IYQOEFPODBCOCV-LBPRGKRZSA-N 382.291 0.821 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2COCC[C@H]21 2282337020 ISNAMXUJZPHQEH-WCQYABFASA-N 383.279 0.129 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3C[C@H]4NCC[C@@H]43)c2)OC1(C)C 2282354584 SLXBLVLHKHWNDU-RRFJBIMHSA-N 379.291 0.410 30 10 GCEE C#CCN(CCO)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282496512 CARJOAQIUGHJOK-UHFFFAOYSA-N 379.287 0.743 30 10 GCEE COC(=O)CN(C)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282504045 JCRLVDLHTKYNRN-UHFFFAOYSA-N 383.275 0.920 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCC[C@H](O)C2)n1 2282510981 HNUZCUGTBYOFAZ-RYUDHWBXSA-N 385.295 0.301 30 10 GCEE CCO[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282833829 LBLFNCYTPFIHEV-TXEJJXNPSA-N 385.295 0.565 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2COCC2(C)C)n1 2282836889 QIRFUFAOMQIMGO-GFCCVEGCSA-N 385.295 0.423 30 10 GCEE C[C@H](O)[C@H](O)CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282838991 XIMYNAIJTRQKCH-SWLSCSKDSA-N 385.291 0.147 30 10 GCEE Cc1nc(S(=O)(=O)NC[C@@H]2CC2(F)F)c(B2OC(C)(C)C(C)(C)O2)n1C 2282841159 SLEYIWCJGYRTNU-JTQLQIEISA-N 391.249 0.961 30 10 GCEE C[C@@H]1CC[C@@H](N)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282857448 ICYTZGCEJIZYDP-VXGBXAGGSA-N 384.311 0.220 30 10 GCEE C[C@H]1CCNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282862803 ITIFRKHMJLFEAV-LBPRGKRZSA-N 384.311 0.092 30 10 GCEE CN(CCCS(C)(=O)=O)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283069672 RBDGYOMBXMCJQD-UHFFFAOYSA-N 383.279 0.283 30 10 GCEE CC1(C)OB(c2cnc(N3CC[C@@H](CS(N)(=O)=O)C3)c(F)c2)OC1(C)C 2284348694 AFMOXIFCVGSGQS-LLVKDONJSA-N 385.270 0.635 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CC[C@@H](C(=O)O)O2)OC1(C)C 2284420534 CSRRMCVRZIOGEN-ONGXEEELSA-N 382.247 0.804 30 10 GCEE CN(C(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 2332886224 YIQKAPZKAUDHNQ-ZDCRXTMVSA-N 381.351 0.630 30 10 GCEE C=CC[C@H](O)[C@H]1CCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2335806703 NHHKBSGIGVODIS-IGCXYCKISA-N 388.486 0.606 30 10 GCEE CC1(C)OB(c2nc(=NS(=O)(=O)C[C@H]3CCCCO3)s[nH]2)OC1(C)C 2338870249 XYZYFYMUZJUZGE-SNVBAGLBSA-N 389.308 0.570 30 10 GCEE C[C@H](C#CC(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2)NC(=O)OC(C)(C)C 2341224582 KVVSXLGQRUGJIF-CHWSQXEVSA-N 385.486 0.715 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2([C@@H](N)C#CC3(S(C)(=O)=O)CC3)CO[C@H]1C2 2342036512 DVYSXPHMBSIANO-FHIRATQRSA-N 384.498 0.967 30 10 GCEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCCS(=O)(=O)C2)C1 2342577455 ZXGZMLXYWBVXIP-INIZCTEOSA-N 388.486 0.656 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 2347768711 MIECCLPKNVRLNN-DYVFJYSZSA-N 386.470 0.573 30 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CN1C(=O)C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1 271074214 QCEZAVLBASCRDI-ZFWWWQNUSA-N 387.827 0.993 30 10 GCEE C#CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 273265327 ZPPUDEDZYXRUJW-UHFFFAOYSA-N 381.410 0.711 30 10 GCEE C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 290325806 AKFLXZFGBAVGTG-NSHDSACASA-N 377.260 0.781 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)CC2)cc1 297752333 GZZHUOLDNONLLV-NRFANRHFSA-N 398.463 0.220 30 10 GCEE COc1c(C/N=C(/O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(C)nn1C 329202949 CLSWTGGTBQHUAI-ZDUSSCGKSA-N 389.460 0.503 30 10 GCEE O=C(CN1CC[C@H]2OCC(=O)N[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 366796437 CLZLSASWMZSICD-HZPDHXFCSA-N 395.381 0.762 30 10 GCEE CNS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC 370995233 YSYXWTKAOGMHDK-CQSZACIVSA-N 378.454 0.416 30 10 GCEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 372230087 DNYAQTKKRADYIM-KGLIPLIRSA-N 391.428 0.613 30 10 GCEE CCO[C@H](CCN(C)C)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 373407126 LIVYRKWAZAUHEK-MRXNPFEDSA-N 399.455 0.550 30 10 GCEE C[C@H](O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 412084568 MOTFDGFLNREMOL-ZYSHUDEJSA-N 390.459 0.616 30 10 GCEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)n1 442382679 NYZYBSCOBUQVNF-GXTWGEPZSA-N 386.456 0.965 30 10 GCEE CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C[C@@H]21 453914321 HYJWXKDVDOFYEN-WBMJQRKESA-N 398.854 1.498 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CCC)Cc2ccccc2)CC1 459834729 QJWFLSJEIDXMPE-UHFFFAOYSA-N 386.496 0.872 30 10 GCEE CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 459884107 ICNYPNLNPUEYOZ-FQEVSTJZSA-N 385.468 0.469 30 10 GCEE C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)OC(C)(C)C 460685423 AGEROMYGDDEZTN-LLVKDONJSA-N 384.396 0.924 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cn1 460730153 VERJEICMRKHKDJ-HNNXBMFYSA-N 393.407 0.347 30 10 GCEE C=CCN(CCOC)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 482379297 GCQLRXDHBRCMJQ-OWCLPIDISA-N 386.514 0.757 30 10 GCEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 516071905 RYPFIWVYAWGWPN-CQSZACIVSA-N 378.234 0.998 30 10 GCEE N#Cc1ccc(C2(NC(=O)CN3CCS(=O)(=O)CC3)CCOCC2)cc1 530062085 YQAOWWCHFKMUMV-UHFFFAOYSA-N 377.466 0.411 30 10 GCEE N#Cc1cn(C2CN(C(=O)c3cccc(NC(=O)C4CC4)c3)C2)c(=O)nc1O 530268175 UOHHWQUMPFYAES-UHFFFAOYSA-N 379.376 0.866 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCN3CCCCC3)CC2)n1 550135132 JLGSHNMTGDVYHW-UHFFFAOYSA-N 384.484 0.594 30 10 GCEE COc1ncccc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 559688519 DXFOTMSAUOINOC-UHFFFAOYSA-N 380.408 0.322 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 566822843 FCZJZENWYJHXCE-LBPRGKRZSA-N 392.437 0.268 30 10 GCEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1sccc1C#N 580174719 HXNNEPNOWCULHL-KKOKHZNYSA-N 391.405 0.510 30 10 GCEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@]2(O)CCOC2)CC1 593455301 BCGVYAYFJVUIEF-SFHVURJKSA-N 375.429 0.797 30 10 GCEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 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CN1CCN(C)[C@H](CN/C(O)=N/Cc2ccc(CN3CCOCC3)cc2)C1 329358814 HQMUAUUMEQEZRS-LJQANCHMSA-N 375.517 0.768 30 10 GCEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C/N=C(/O)N1CCc2ccccc2C1 329448509 DCESODDFHRUFFK-CQSZACIVSA-N 379.482 0.852 30 10 GCEE Cc1ccc(CC(=O)N2CCN(C/C(O)=N/[C@@H]3CCS(=O)(=O)C3)CC2)s1 329598451 PRMJZVXIMGDEOA-CQSZACIVSA-N 399.538 0.887 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1CS2 349479627 UXUZKGOBACVWAE-STQMWFEESA-N 379.529 0.214 30 10 GCEE CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 368677192 XEVUUCROOWIQIK-UHFFFAOYSA-N 398.470 0.162 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 416369529 GECSPWWEDHBMNE-AWEZNQCLSA-N 381.502 0.389 30 10 GCEE COC1(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CCC1 416403775 TWDLWTVHWMGSRL-UHFFFAOYSA-N 387.483 0.678 30 10 GCEE CC(C)[C@@H](N)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 418415099 UEWFDPXHKSKGFD-HNNXBMFYSA-N 379.486 0.557 30 10 GCEE N#CCC1(CNC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)CC1 420578863 IGJGJRCOQHUVQC-LSDHHAIUSA-N 398.419 0.339 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c(Cl)cnn1C 429844749 MEWHFVVDTZSBMC-SNVBAGLBSA-N 381.849 0.635 30 10 GCEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCCS(C)(=O)=O 525406076 GCOQUAURDMHSMX-UHFFFAOYSA-N 387.527 0.686 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n(CCC#N)n1 533317288 VUCHOQBNOJDQRI-OAHLLOKOSA-N 386.456 0.905 30 10 GCEE CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 534839739 RPZZERQXGOIQLA-KRWDZBQOSA-N 387.484 0.497 30 10 GCEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 546708731 IMAVDRJIGHNSQG-UHFFFAOYSA-N 382.424 0.583 30 10 GCEE Cn1nccc1CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 550922578 ICRBYMZYLMFYRO-UHFFFAOYSA-N 380.452 0.642 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)o1 554430891 RUJZSJNIWSHNAK-LBPRGKRZSA-N 396.425 0.374 30 10 GCEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 563922708 ISSMTAXPEYPILI-GFCCVEGCSA-N 389.481 0.934 30 10 GCEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 571543219 VRTAQTWRJWXPOR-AWEZNQCLSA-N 386.452 0.831 30 10 GCEE CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1 590280611 IMAFPYMWSLKSJF-LRDDRELGSA-N 382.399 0.984 30 10 GCEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C#N)CCCC1 594633845 POZHPMHXCCDCBV-UHFFFAOYSA-N 382.467 0.851 30 10 GCEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 595151753 HZNOSQIEAHLFEI-MGPUTAFESA-N 389.500 0.340 30 10 GCEE N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)c1 595283116 IAMHCTHOGDHJKD-QZTJIDSGSA-N 387.459 0.537 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2=O)C1 595363417 AIQOLXOMPKNPQB-AWEZNQCLSA-N 391.449 0.978 30 10 GCEE Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(CC#N)C2)n(C)n1 595967910 YJQDIOWWHLFZMW-UHFFFAOYSA-N 389.503 0.426 30 10 GCEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)CO)cc1Br 597745992 GRPBPAWBJINGIB-VIFPVBQESA-N 376.232 0.314 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(COC)n2C[C@@H]2CCCCO2)CC1 670361410 SIQKKBZZVAXQFK-INIZCTEOSA-N 392.504 0.418 30 10 GCEE C[C@H](Oc1c(I)cc(C#N)cc1[N+](=O)[O-])[C@@H](N)C(N)=O 698608699 VPQFYOFIUMXDDV-SSDLBLMSSA-N 390.137 0.651 30 10 GCEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 733201869 MTDNUNCLSLJCNR-OAHLLOKOSA-N 390.513 0.926 30 10 GCEE C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 733287818 QVXDTXRIYYENLU-DNXIFWLFSA-N 398.506 0.520 30 10 GCEE CCOC(=O)C(C)(C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742625431 CACYPYZQUJSFNG-LLVKDONJSA-N 381.454 0.962 30 10 GCEE COC[C@@H](C#N)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 750809516 FFADAOORCNVJAO-KZULUSFZSA-N 375.381 0.852 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(CCO)CCOC2)ccc1F 762780392 CLUAMHDSRFXAAU-KRWDZBQOSA-N 386.445 0.809 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 764261877 SSKVFCIBZZYZPW-TZMCWYRMSA-N 392.437 0.278 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1ccc2c(c1)CCO2 770228659 BTUCOQMNQZVYQS-INIZCTEOSA-N 383.491 0.616 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CCS(=O)(=O)C1 774172145 MHHNPZWLIUQTJR-CABCVRRESA-N 377.470 0.277 30 10 GCEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803564932 GDNUVJJIUVHDME-IUODEOHRSA-N 397.497 0.389 30 10 GCEE C#CCN(CC(=O)N1CCC[C@H]1C(C)(C)O)CC(=O)N1CCC[C@@H]1C(C)(C)O 821124973 JAZNLHCOBVLGON-CALCHBBNSA-N 393.528 0.445 30 10 GCEE COc1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1C#N 827270952 HMDLMEHEPFMXOZ-OAHLLOKOSA-N 381.454 0.785 30 10 GCEE C#C[C@H](NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@@H]1CCCO1 831071320 DPPUCIMVRLJYBB-BQFCYCMXSA-N 386.500 0.889 30 10 GCEE CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 846237954 IWVIMMBSSBDFBS-DLBZAZTESA-N 387.436 0.852 30 10 GCEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cc1 848460238 FDKKGPYOQLFQQU-QPJJXVBHSA-N 377.422 0.619 30 10 GCEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3c2CCC3)c1=O 853445924 ZNWSSGGPHIRIGA-UHFFFAOYSA-N 383.477 0.266 30 10 GCEE C#C[C@H](NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C1CCOCC1 853637142 OJMPMDGCSBNDNM-JXFKEZNVSA-N 384.436 0.969 30 10 GCEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C1CCOCC1 856108436 BQYHCBSRKAONBH-QGZVFWFLSA-N 392.477 0.707 30 10 GCEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@H](O)c1ccc(C#N)cc1 861982333 AVIAGTHNUHYERH-HZUKXOBISA-N 391.449 0.561 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br 867341140 VABOYWDGZMLPPY-JTQLQIEISA-N 376.228 0.898 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](F)C[C@H]2CNC)s1 876843475 SCEIOZMWDOSKSH-RYUDHWBXSA-N 375.491 0.913 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 884072126 QTASLBXZIYLYCL-INIZCTEOSA-N 377.416 0.947 30 10 GCEE CC1(C)CO[C@H](CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 898669564 QSIMNKDDWVPNAW-MRXNPFEDSA-N 385.468 0.923 30 10 GCEE CNC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 903781200 NQFVXXTZSDKVIC-INIZCTEOSA-N 387.459 0.946 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)ncnc2-n2cccn2)C1=O 1116275389 QJJLEWPHPOHOPB-UHFFFAOYSA-N 389.759 0.231 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 1120482714 QVXKMWBMTOSAKW-HNNXBMFYSA-N 378.469 0.944 30 10 GCEE C#CCN1CCCC[C@@H]1c1nnc(N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n1C 1121391847 PLTAIENXEVEDHR-ARFHVFGLSA-N 377.514 0.846 30 10 GCEE C#CCN(c1nnc(C[C@](C)(O)c2ccccc2)n1C)[C@@H]1CCS(=O)(=O)C1 1121555007 IQKIQFHPUOCRGE-APWZRJJASA-N 388.493 0.892 30 10 GCEE C=CCn1c([C@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1121612054 FUCIOICLCHXUSY-QXSJWSMHSA-N 395.529 0.810 30 10 GCEE Cc1cc(C(F)(F)F)nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1181001571 VCCOJLJZHFCRHZ-UHFFFAOYSA-N 380.286 0.635 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@H]1CCS(=O)(=O)C1 1261169314 MRLNMHCXBIUMFD-CAOSSQGBSA-N 394.493 0.099 30 10 GCEE C=CCOCCCNC(=O)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1261692918 AUZIRKBTUHTNNI-IBGZPJMESA-N 388.424 0.066 30 10 GCEE C=CCn1c(N2CCOC3(CCS(=O)(=O)CC3)C2)nnc1C1(OC)CC1 1263000119 PENIUAZLXXGREJ-UHFFFAOYSA-N 382.486 0.884 30 10 GCEE C=C(C)Cn1c([C@H]2CCC(=O)N[C@H]2C)nnc1N1CCN(CCOC)C(=O)C1 1263339373 KVAWMYKUSICRCR-GJZGRUSLSA-N 390.488 0.531 30 10 GCEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCc1cnn(C)n1 1286432800 YJYNODUFRIBZSF-UHFFFAOYSA-N 394.483 0.625 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1286452769 UFTDMHBQQWRXLL-ZDUSSCGKSA-N 398.533 0.510 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[C@]1(C)CCC(=O)N1 1292103131 WQSRBOZHBAMSSC-DICRZQGBSA-N 375.469 0.723 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1301273071 NAWRQKCYDQFCKM-MCFWBGNESA-N 389.547 0.812 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CCOC)C1 1301475473 SAIZUPILSNGGIK-HNNXBMFYSA-N 390.488 0.679 30 10 GCEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(C)(=O)=O 1316165920 CPRPZLTVHUARLR-CYBMUJFWSA-N 385.490 0.787 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)C1 1320915138 JVPFZZCRUXFGIY-AWEZNQCLSA-N 378.429 0.923 30 10 GCEE 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CCN1C(=O)CN(CC(=O)N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1849811389 CBSKFJWIVNQLCK-UHFFFAOYSA-N 385.424 0.855 30 10 GCEE CN(CC#CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)Cc1ccccc1 1850103440 VDIXFNJCPKUTTM-QGZVFWFLSA-N 378.498 0.154 30 10 GCEE CS(=O)(=O)[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1854045645 ZPCBIIIYYMSMDV-HOCLYGCPSA-N 375.450 0.666 30 10 GCEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C(=O)C2)C1 1854393392 ISXPAAPVWDGGQP-SJORKVTESA-N 390.528 0.955 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccc4c3OCCO4)CC2=O)CC1=O 1855439918 LSXDEMWFOPHLPW-INIZCTEOSA-N 399.447 0.663 30 10 GCEE C=CCN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C1(C)C 1856359065 MMRRJVUSVGIASJ-CYBMUJFWSA-N 376.482 0.909 30 10 GCEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CCOC3)C2)CC1 1857042811 FSGZMPRUTJCXNQ-UKRRQHHQSA-N 383.470 0.353 30 10 GCEE CS(=O)(=O)C1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1857346749 HAIKFWHFEANJJV-INIZCTEOSA-N 375.450 0.808 30 10 GCEE 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381.498 0.863 30 10 GCEE N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@H]4CCNC4=O)CC3)n[nH]2)cc1 595658401 IHZLRCWNTPJCRX-HNNXBMFYSA-N 379.424 0.668 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCC(O)CC2)cc1 595951290 PYPGNVBJOINIBB-UHFFFAOYSA-N 387.483 0.318 30 10 GCEE N#Cc1ccnc(NC[C@@]2(CO)COCCN2Cc2ccccc2)c1[N+](=O)[O-] 596514285 FJROEDYNICEIKB-LJQANCHMSA-N 383.408 1.537 30 10 GCEE CC(C)(C)OC(=O)CCCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599022675 OONINHHAUPVNTH-UHFFFAOYSA-N 391.428 0.899 30 10 GCEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(Br)cc2C#N)C1 600709645 OYLWHECBYLCDKT-UHFFFAOYSA-N 387.259 0.541 30 10 GCEE N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615456459 BZGNOAKEGMEYIH-UHFFFAOYSA-N 399.476 0.966 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2CCC(CC)(N3CCOCC3)CC2)CC1 636677413 UFHRBKRTZSOKID-UHFFFAOYSA-N 392.544 0.856 30 10 GCEE C=CCOCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 679496178 WZUSJOWXWSLYFD-UHFFFAOYSA-N 395.481 0.472 30 10 GCEE C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 726458058 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C#CCN(C(=O)NCc1ccccc1CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1116464574 IHEAHSZNVQPLIK-MRXNPFEDSA-N 398.506 0.563 30 10 GCEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)OCC)C1 1119737599 QREVWRSBQIWJKZ-MRXNPFEDSA-N 376.409 0.658 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1119785051 WLBXADJLECUINA-ZDUSSCGKSA-N 383.495 0.499 30 10 GCEE C=CCn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN(Cc2ccccn2)CC1 1121730801 DPXCKTNLCQKLLQ-HNNXBMFYSA-N 396.455 0.404 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](CC(=O)OC)C2)nnc1[C@]1(C)CCC(=O)NC1 1122532849 FIIVMEUXSVNQBM-AUUYWEPGSA-N 391.472 0.790 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)NCC#CCO)(C(=O)OC(C)(C)C)C1 1155733092 JJZOZRZXUHRLBV-LJQANCHMSA-N 398.456 0.446 30 10 GCEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)[C@H](O)C1CCCCC1 1169417779 YBSJMOMPTDVWAL-RHSMWYFYSA-N 395.481 0.143 30 10 GCEE COC(=O)CC1(NC(=O)Cc2cccc(OCC#N)c2)CCS(=O)(=O)CC1 1255491205 PZDHDYMGBRNELC-UHFFFAOYSA-N 394.449 0.758 30 10 GCEE COc1ccc([C@H]2CN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCO2)cc1 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382.445 0.803 30 10 GCEE Cn1ccc(N2CCC[C@H](N/C(O)=N/CC3CCN(CCO)CC3)C2=O)n1 329807898 OYLQDMDWZKDJSZ-HNNXBMFYSA-N 378.477 0.123 30 10 GCEE CCN1CCN([C@@H](C)C/N=C(/O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 329949897 BYZGHPZIGYZDMD-JCGIZDLHSA-N 392.504 0.301 30 10 GCEE Cc1oc(NC(=O)[C@@H](C)N2CCCN(S(=O)(=O)N(C)C)CC2)c(C#N)c1C 411745932 NESMCAQSPCZTGC-CYBMUJFWSA-N 397.501 0.909 30 10 GCEE C[C@@H](O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCO1 411951374 OUBCGYOMDJEWOY-NOZJJQNGSA-N 382.214 0.867 30 10 GCEE C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 418869476 ANEMEAOLVSKZLE-COXVUDFISA-N 383.452 0.284 30 10 GCEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](CO)CN1CCOCC1 425299457 YIZMMTBZZRAQPV-LBPRGKRZSA-N 398.257 0.509 30 10 GCEE C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 427874811 JCIJRJYPAGTQCN-NWDGAFQWSA-N 387.827 1.565 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463347153 WZDJEADCSCXZHE-UHFFFAOYSA-N 394.478 0.498 30 10 GCEE 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30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359304735 HWIPWMJOMMYUMC-UONOGXRCSA-N 376.461 0.364 30 10 GCEE CCS(=O)(=O)N(C)CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1437241922 IVGLCNFCPOCXHC-UHFFFAOYSA-N 378.498 0.920 30 10 GCEE C#CCN1CCCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 1444334914 KEEHQQUOWOJQCT-HNNXBMFYSA-N 378.473 0.232 30 10 GCEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1448000919 ACLLTGGHKRROHG-NEPJUHHUSA-N 377.401 0.194 30 10 GCEE N#C[C@]12CN(Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]1CS(=O)(=O)C2 1460885806 XEBPYPKBDQTTJX-MEDUHNTESA-N 378.841 0.718 30 10 GCEE Cn1nnc2c1C[C@@H](C(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)CC2 1472618762 HBVBKQUELHLGJL-LBPRGKRZSA-N 383.408 0.824 30 10 GCEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507593238 XYDWUMJOSWQBJC-QGZVFWFLSA-N 388.516 0.796 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)(C)C 1507638415 QULHKMAUJVVHFI-UHFFFAOYSA-N 384.484 0.892 30 10 GCEE C#CCN1CCN(c2nnc(-c3c[nH]nc3C#N)n2C[C@H]2CCCCO2)CC1 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1705907322 ILAQSQDLIFWFHO-UHFFFAOYSA-N 383.456 0.734 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705934733 VPFNWKBSSSDKKQ-CQSZACIVSA-N 379.486 0.567 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705935304 MYTZMCNVTAYPPR-WMLDXEAASA-N 384.502 0.826 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C 1719205844 YYHBANGSZBNPNO-DZUCGIPZSA-N 377.485 0.990 30 10 GCEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1722629460 RSQUZPDDIXJLOY-LJQANCHMSA-N 390.488 0.695 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCOC2)C1 1722699295 UEWHFWFVGIXKIY-BEFAXECRSA-N 391.472 0.470 30 10 GCEE C=C(C)CN(CC)C(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1733503308 HVLYSWHQBJTMGP-RFSXOUPVSA-N 391.512 0.386 30 10 GCEE C#CCC1(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCOCC1 1735421557 LHHAFQQRDYTOQX-VQHPVUNQSA-N 378.469 0.310 30 10 GCEE O=C(CC#Cc1ccccc1)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O 1735927616 GVLXRXULPIDVBZ-ZFORQUDYSA-N 382.460 0.931 30 10 GCEE C#CCNC(=O)CC(=O)N[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccccc1 1737930940 DLKKBELLHZXOOZ-BCZAFHOVSA-N 395.459 0.523 30 10 GCEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cncn1 1740610112 YTTGZARFAQDDBT-UHFFFAOYSA-N 389.423 0.553 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740942825 LYUGPUWQSLXZQZ-PBHICJAKSA-N 398.533 0.375 30 10 GCEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1748029805 HHUGUMSRCQFQEH-UHFFFAOYSA-N 383.456 0.882 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCO2)CC1 1748994097 AQFBDIVQUVVSIA-FQEVSTJZSA-N 386.500 0.725 30 10 GCEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)NC 1749166256 YNILKOHTNUFMSY-UHFFFAOYSA-N 384.506 0.352 30 10 GCEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)C1 1751276314 BFVNCFAUAAVQLH-AUUYWEPGSA-N 385.472 0.885 30 10 GCEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760522765 YKSPUWRIKGGLBN-GOSISDBHSA-N 395.529 0.794 30 10 GCEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760548552 JKSWHGFWRLZIIF-CYBMUJFWSA-N 382.490 0.216 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 1770726661 IEUFMTUTJMJRIB-KSSFIOAISA-N 392.435 0.762 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCCC[C@@H]2C1 1772566463 MNRQXOFRWXZLMO-HUUCEWRRSA-N 387.488 0.206 30 10 GCEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642470 QMDFBIBQOHWKNT-WFASDCNBSA-N 377.422 0.485 30 10 GCEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)Cn3cncn3)C2=O)CC1 1854998516 CXIOYDOEGYVDQU-QGZVFWFLSA-N 393.451 0.942 30 10 GCEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1Cc1ccc(C#N)cc1F 1855039011 WYJVWXXBTZJXQV-SWLSCSKDSA-N 393.440 0.691 30 10 GCEE Cn1cc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c(C(F)F)n1 1855039342 QMDWRJAENJIBDR-GFCCVEGCSA-N 380.399 0.630 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCC#N)C2(CCCC2)C1=O 1856624760 ACDNNDXYZSGNMF-HNNXBMFYSA-N 396.513 0.698 30 10 GCEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1856923115 FNIWYNAOLQXOPN-MSOLQXFVSA-N 396.447 0.623 30 10 GCEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861254131 AQCSDHPGRYNAOM-ROUUACIJSA-N 399.422 0.913 30 10 GCEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1F 1865722768 ZKNXKOFTVOGYAY-GFCCVEGCSA-N 386.383 0.220 30 10 GCEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228339 KTDWXVXICANRCB-AWEZNQCLSA-N 389.456 0.635 30 10 GCEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCC#CBr 1886378941 YZLLPGJGPSKGGB-SECBINFHSA-N 383.264 0.396 30 10 GCEE CC(=O)N[C@@H](C)C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890041928 DXXLZHSXZIAAIK-SFHVURJKSA-N 392.544 0.548 30 10 GCEE Cc1nn2c(=O)c(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cnc2s1 1891398509 OQYSPHFMWYBKBA-NSHDSACASA-N 397.420 0.805 30 10 GCEE C#CCNC(=O)[C@@H](C)[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990666795 ZGRMWUXWAULKOV-HGXPUBCKSA-N 380.422 0.253 30 10 GCEE CC1(C)OB(c2cncnc2N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2116075245 OOOCWPGNEWLCIJ-LBPRGKRZSA-N 385.320 0.700 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)N3CC[C@H](C#N)C3)[C@H]2C1 2118172090 URPRXVVDENAJIF-RDBSUJKOSA-N 386.474 0.397 30 10 GCEE CO[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1NC(=O)OC(C)(C)C 2122640048 ARRBSODNCXLQOT-KBPBESRZSA-N 388.490 0.691 30 10 GCEE C#CCN(C(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123594464 LIBFTNGZSCWBGZ-TUVASFSCSA-N 382.482 0.891 30 10 GCEE C#CCC[C@H](NC(=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C)C(=O)O 2123894477 MZMOJLWQDCBCCL-WDEREUQCSA-N 382.442 0.957 30 10 GCEE C[C@H](C#N)N1CCN(C(=O)c2c(CNC(=O)OC(C)(C)C)nnn2C)CC1 2181102549 GGBFVZPRTSPYGO-GFCCVEGCSA-N 377.449 0.510 30 10 GCEE C#CCN1CCC(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2204035906 HBUAKCGWKMIWGI-GOSISDBHSA-N 399.513 0.282 30 10 GCEE CC[C@@H](C#N)S(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C 2218561481 LBOAFCRCGGTMRK-ZDUSSCGKSA-N 379.479 0.766 30 10 GCEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)CCS(=O)(=O)C1 2237783024 UTOVZHCGCBZHKV-JCURWCKSSA-N 399.469 0.209 30 10 GCEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)[C@H](O)C(F)(F)F 2265348190 DVJOLUBGHCJUCW-AEJSXWLSSA-N 382.335 0.786 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N3CCNC[C@@H]3C#N)c2)OC1(C)C 2267369195 TUVAUMCSUZWWOQ-LBPRGKRZSA-N 383.304 0.533 30 10 GCEE C[C@@H]1CSC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267473694 JGOCDROHPQFIOK-ZYHUDNBSSA-N 387.336 0.749 30 10 GCEE CC1(C)OB(c2ccccc2C(=O)N2CC(CS(N)(=O)=O)C2)OC1(C)C 2281936119 JHWBAVPSQLKSAZ-UHFFFAOYSA-N 380.275 0.346 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)OC1(C)C 2282029373 RGEIJTXYUZRBKQ-UBHSHLNASA-N 378.303 0.700 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@]3(CNCCO3)C2)OC1(C)C 2282030620 IGRFYRVSJZBDLM-QGZVFWFLSA-N 379.291 0.647 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](O)C(F)(F)F)n1 2282048552 NGOKOSCTFCRYLT-SNVBAGLBSA-N 377.172 0.762 30 10 GCEE Cn1nc(C(=O)N2C[C@@H](F)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282053400 UWVYYBZGEBIKFI-NXEZZACHSA-N 387.648 0.775 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@]2(C)CCC(=O)NC2=O)OC1(C)C 2282066619 KIQKOJKUJCOZDL-INIZCTEOSA-N 379.247 0.367 30 10 GCEE COCCNC(=O)CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282198212 YKAFQAUNVFMWTF-UHFFFAOYSA-N 382.291 0.930 30 10 GCEE CCC1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282312042 QEYSXWPABVMSBY-UHFFFAOYSA-N 384.311 0.925 30 10 GCEE Cc1nnccc1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329738 QOUVPYWFJMBQBN-UHFFFAOYSA-N 379.251 0.619 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1N 2282418899 LQCZXSKOXOJHBH-IUODEOHRSA-N 381.307 0.739 30 10 GCEE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282419452 VEGIJPXILCVMNJ-SWLSCSKDSA-N 385.291 0.147 30 10 GCEE Cc1cc(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)no1 2282489915 IDIVKRYQZSLMDP-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N3C[C@@H]4C[C@@]4(N)C3)c2)OC1(C)C 2282498379 COCCBSJVPNTLIE-KBXCAEBGSA-N 378.303 0.849 30 10 GCEE Cc1nc(C(=O)N(C[C@H](C)O)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2282518900 HBDNMBWLCYTSKY-PHIMTYICSA-N 384.307 0.955 30 10 GCEE CC1(C)OB(c2cc(C(=O)NCCNS(=O)(=O)C(F)F)co2)OC1(C)C 2282530261 RHKMCFUPSCLUDW-UHFFFAOYSA-N 394.205 0.451 30 10 GCEE COCC[S@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282593331 PDKUKSHEFJBBJK-SANMLTNESA-N 385.295 0.912 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@]3(CCN3)C2)OC1(C)C 2282832319 NEUKYOVTEBGKAF-MRXNPFEDSA-N 399.347 0.710 30 10 GCEE C[C@H]1CN[C@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852386 OLIMIZJKTOLBRL-NEPJUHHUSA-N 384.311 0.090 30 10 GCEE CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852914 WEHDNFOZMSTMAG-NEPJUHHUSA-N 387.311 0.405 30 10 GCEE Cc1csnc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282855782 JIVYKRFVQCXMSH-UHFFFAOYSA-N 398.319 0.963 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CO)CCCC1 2282862424 CGACHJLYNOYJMG-UHFFFAOYSA-N 385.295 0.303 30 10 GCEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282868042 HVKRTPKSFYAALR-KGLIPLIRSA-N 398.359 0.968 30 10 GCEE CN(CC[S@@](C)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282978137 JRTSVYGACKWQQH-AREMUKBSSA-N 383.275 0.848 30 10 GCEE CC1(C)OB(c2cc(N[C@H]3CNC[C@H]3S(C)(=O)=O)ccc2N)OC1(C)C 2282995417 RGHPXIIGCSROEM-LSDHHAIUSA-N 381.307 0.365 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3CCO[C@@H]4[C@@H](C(=O)O)[C@@H]43)s2)OC1(C)C 2284492002 IMPOMZUBAFJLNO-RWMBFGLXSA-N 379.243 0.971 30 10 GCEE COC[C@H]1C[C@H](CN)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2289508152 VFNKPNQXKUYOPJ-NWDGAFQWSA-N 381.307 0.878 30 10 GCEE C=CC[C@]1(CO)CCCN1C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335462541 RDUOWTDRSCPJKE-CXAGYDPISA-N 390.502 0.854 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342044351 OBTPJWBSIRTDBA-GLJUWKHASA-N 384.498 0.920 30 10 GCEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]2[C@H]3CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359268365 JWQZOPYYWBUCRM-DCAQKATOSA-N 381.669 0.826 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CO[C@@]3(CCNC3)C2)OC1(C)C 2362495891 CDMNHVCRMVNERW-GTNSWQLSSA-N 379.291 0.693 30 10 GCEE CN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2367355020 ANWFMZSAYVEDJA-GPJBEXFUSA-N 378.469 0.874 30 10 GCEE Cn1ncc(C(=O)N[C@H]2CC[C@@H]2S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2368616827 NCJJOSHZFKCTKW-RYUDHWBXSA-N 383.279 0.025 30 10 GCEE CN(C)CC#CCN[C@]1(C(=O)O)CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2377953536 YXJBIKAHRNLZAP-MOPGFXCFSA-N 381.473 0.764 30 10 GCEE C/C(=N/OCC(=O)OCc1cc(=O)n(C)c(=O)n1C)c1ccc2c(c1)OCO2 59993359 TWOPCBVROCWSAK-ODLFYWEKSA-N 389.364 0.297 30 10 GCEE CCn1c(=O)/c(=C/c2ccc(C)cc2C)s/c1=C(/C#N)C(=O)N1CCOCC1 97996332 UXOSIRQDFIAIAX-HTAXBBIHSA-N 397.500 0.908 30 10 GCEE CN1C(=O)/C(=C/Nc2ccccc2[N+](=O)[O-])C(=O)c2c1n(C)c(=O)n(C)c2=O 106914892 YMQOQDYEKGCTMR-CMDGGOBGSA-N 385.336 0.147 30 10 GCEE C#CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 179273692 QIFXSZBWDNLHSL-UHFFFAOYSA-N 392.525 0.953 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CCC3)n2C)cc1 184021853 GDHONDJQJYDZOJ-UHFFFAOYSA-N 387.465 0.924 30 10 GCEE CN(C)C(=O)CN/C(=N\C1CCCC1)N[C@H]1CCCN(c2cnn(C)c2)C1 185517853 FINPMPTZVMLJTC-INIZCTEOSA-N 375.521 0.955 30 10 GCEE CC/N=C(/NCCc1nc(C)no1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261818818 UGCRDZMPZDKBGR-KRWDZBQOSA-N 377.449 0.196 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 273385882 FOUMOTAHIVALDD-BBRMVZONSA-N 397.497 0.896 30 10 GCEE C[C@H](/N=C(/O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)N1CCCCC1 329605262 HHSCWUHXMJYOJZ-YAYDYNKSSA-N 377.441 0.896 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](c2ccccn2)C1 349537096 ZJGDRJLHUCSHPF-KBPBESRZSA-N 386.499 0.422 30 10 GCEE 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30 10 GCEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCOC1 1539421757 XOUPMCFWLZVGRQ-SFHVURJKSA-N 391.497 0.871 30 10 GCEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c(=O)o1 1544462725 JAVJXZPIGJJFFZ-XMHGGMMESA-N 393.425 0.596 30 10 GCEE C#CC[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OC 1556971251 TWXBAXWQKOJWDQ-MRXNPFEDSA-N 378.450 0.212 30 10 GCEE N#Cc1cn(CCC(=O)NCCOc2ccc(C(F)(F)F)cn2)c(=O)nc1O 1566389821 IIAGSTIPAAJVDU-UHFFFAOYSA-N 397.313 0.820 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1569409935 RTWKKIFESNFFRE-DEPYFDJDSA-N 376.457 0.049 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)c1cn(C)nn1 1570629946 VNYFTPZEDGBXSL-NSHDSACASA-N 376.442 0.405 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1CCOCC1=O 1573240827 NKICZNMFCDYUCM-TWMKSMIVSA-N 393.484 0.180 30 10 GCEE N#C[C@]12CN(C(=O)CCn3cnc4sccc4c3=O)C[C@H]1CS(=O)(=O)C2 1585660422 MHPPFSFODPTTPQ-MEDUHNTESA-N 392.462 0.245 30 10 GCEE 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CN(C)CCN(C(=O)C(=O)/C=C/c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1630640111 GPWFLKJRIIOUIN-WHWKNOJMSA-N 382.457 0.985 30 10 GCEE N#C[C@@]12CN(C(=O)/C=C\C(=O)Nc3ccc4n[nH]cc4c3)C[C@H]1CS(=O)(=O)C2 1639175353 OGPRYOJHOMIHMQ-ATRACHIOSA-N 399.432 0.454 30 10 GCEE C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@H]1CC 1656711531 ZHOHRXZKXYFMLU-RMJJICAUSA-N 384.480 0.878 30 10 GCEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)NCC#CCO)C2)nn1 1684765714 PYYGGGVHXPBSBR-OAHLLOKOSA-N 392.460 0.645 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690725314 LZSLHXMIUZONIO-UHFFFAOYSA-N 393.517 0.501 30 10 GCEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1697000897 LSJXMQLMLADOKB-HXUWFJFHSA-N 393.451 0.812 30 10 GCEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1698170415 LLJWHWWFAKZTGE-OWCLPIDISA-N 395.460 0.536 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(COC)CCOCC1 1702980776 RBCWMIFKCPMRBV-HZMVEIRTSA-N 378.469 0.716 30 10 GCEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1705729397 WMRHHIRIVVZHKB-RDJZCZTQSA-N 393.488 0.873 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1705875746 FCMFAOARXJWZLV-CQSZACIVSA-N 381.502 0.883 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1705884427 ORRPVJFXPHPGTL-OAHLLOKOSA-N 394.501 0.601 30 10 GCEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1scnc1C 1722345099 NOVKZJMLPFHVHX-LBPRGKRZSA-N 382.515 0.965 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722698174 VNEXSAKIYITKAT-HUUCEWRRSA-N 385.472 0.844 30 10 GCEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722699290 FQORHUYZZDADGR-UHFFFAOYSA-N 380.456 0.736 30 10 GCEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC(F)(F)F 1740297945 TVJHQXBJXOXUOM-WOPDTQHZSA-N 377.363 0.506 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1740629510 QBWKVWYNOBYKNF-HXUWFJFHSA-N 382.468 0.500 30 10 GCEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740667114 QHCYAUWHTZHEBL-UHFFFAOYSA-N 381.484 0.964 30 10 GCEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1740858701 XYROMYYJJCDIMX-CHWSQXEVSA-N 384.506 0.556 30 10 GCEE C#CCN(c1nnc(C2CC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748815109 NLMIZJBMVHWLAV-INIZCTEOSA-N 377.514 0.878 30 10 GCEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1C 1748868162 SLFSWHMERHGVMW-IBGZPJMESA-N 383.456 0.570 30 10 GCEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1nnn(C)n1 1748894999 NGTREGGTIXJLQN-UHFFFAOYSA-N 390.451 0.912 30 10 GCEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1749671852 LDWIGCZTGDVVPF-UHFFFAOYSA-N 398.533 0.251 30 10 GCEE CS(=O)(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 1757742075 QERFLHMBEMLXLH-SNPRPXQTSA-N 378.454 0.573 30 10 GCEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1760279272 XFOBTBSDZHCAFR-AWEZNQCLSA-N 385.497 0.864 30 10 GCEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1[C@@H](C)NS(C)(=O)=O 1760361362 XJPBDZCKTPLKAM-GFCCVEGCSA-N 383.478 0.958 30 10 GCEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(CC)cc2)C1 1850463509 RDJSJRFCIZWXDN-QGZVFWFLSA-N 376.478 0.762 30 10 GCEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1=O 1854012910 VTSQSVDJZRBYJW-HZPDHXFCSA-N 375.450 0.808 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCn4cnnc4C3)C(=O)C2)c(F)c1 1854240817 VYXQKVMOYHIIGM-CQSZACIVSA-N 382.399 0.722 30 10 GCEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCOC2)C(=O)C12CCCCC2 1854419086 SMNIWYHVMVONKW-CQSZACIVSA-N 383.470 0.640 30 10 GCEE C[C@H]1C(=O)N(C(=O)[C@@H]2OCCc3ccccc32)CCN1S(=O)(=O)CC#N 1854744668 XLYIAGYTUIPFBR-SWLSCSKDSA-N 377.422 0.213 30 10 GCEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856118621 LIIACSAYFRXCFS-GFCCVEGCSA-N 397.428 0.896 30 10 GCEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCOC2)C1)C1CN(c2nccnc2C#N)C1 1856228913 YBHYZDAZGGAHMV-HUUCEWRRSA-N 398.467 0.270 30 10 GCEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(c4nc(C)no4)C3)CC2=O)CC1=O 1857212434 NODFPEDVHOAZLC-ZIAGYGMSSA-N 387.440 0.187 30 10 GCEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535567 GZQMMACYNHRQPR-UHFFFAOYSA-N 397.439 0.454 30 10 GCEE CC(C)(C)OC(=O)N1CCC(O)(CNS(=O)(=O)c2cccnc2C#N)CC1 1918774340 BZCHOISDGKWJBN-UHFFFAOYSA-N 396.469 0.994 30 10 GCEE C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@]1(O)CO[C@@H]3C=C(C)[C@H]2[C@H]31 2060405927 QWNQZWRFKIHTPL-SETMLFJESA-N 376.405 0.661 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](CO)C1 2118162062 FSMHYCCEYIVRQC-GFCCVEGCSA-N 382.442 0.556 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118172752 XXKPRZKMEQDQLA-BBRMVZONSA-N 388.490 0.692 30 10 GCEE CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)N3CC(C#N)C3)C[C@H]1CCO2 2118542230 FXDVYGCWGXSTIJ-CZUORRHYSA-N 386.474 0.302 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC(F)(F)CN)OC1(C)C 2255751854 FEQDSJPCSLMDRZ-UHFFFAOYSA-N 382.263 0.920 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCON)OC1(C)C 2255796177 MRMGCKBFHLPKSE-UHFFFAOYSA-N 377.297 0.142 30 10 GCEE C=C(CS(=O)(=O)N1CCNC(=O)C(F)(F)C1)B1OC(C)(C)C(C)(C)O1 2267463242 GVCNAMSBMFOLSP-UHFFFAOYSA-N 380.222 0.571 30 10 GCEE CN(CCO)S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267722934 LQBGQBPQADYULM-UHFFFAOYSA-N 377.218 0.877 30 10 GCEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2OC[C@H](C(=O)O)O[C@H]2C1 2279865824 JVYXBXJUPGUMSC-XDQVBPFNSA-N 382.413 0.373 30 10 GCEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CO[C@@H]3COC[C@@H]32)OC1(C)C 2281807767 SITQSXQEIWURQZ-NQBHXWOUSA-N 380.275 0.834 30 10 GCEE Cn1ncc(C(=O)NCC2([S@](C)=O)CCC2)c1B1OC(C)(C)C(C)(C)O1 2281818193 XINITSNEXHWHLC-SANMLTNESA-N 381.307 0.750 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NCc3nc(=O)o[nH]3)c(Cl)c2)OC1(C)C 2281995839 IBQGTYLQHSHWBZ-UHFFFAOYSA-N 380.597 0.641 30 10 GCEE CCc1nc(C(=O)NC[C@@H]2CNCCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2282022330 SMOIGWFEFVNJQE-NSHDSACASA-N 381.307 0.723 30 10 GCEE Cc1nc(C(=O)N2CCN[C@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282027390 PFODKWXIGZUGBD-RYUDHWBXSA-N 379.291 0.564 30 10 GCEE 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C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(C)(C)c2cccnc2)n1 817860692 RTOSZAYXTXXKSH-UHFFFAOYSA-N 397.479 0.980 30 10 GCEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC=C)[C@H]1CCS(=O)(=O)C1 818123590 WCJHQGBQCMYWRY-MAUKXSAKSA-N 394.497 0.743 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 829583285 YMVJNBKCHHGFGV-HUUCEWRRSA-N 378.473 0.278 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)ccc(F)c3[nH]2)CC1 831584937 QJZUTCYKDGVYOH-UHFFFAOYSA-N 378.429 0.841 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 839595295 PKLYCFQTLXXETF-CQSZACIVSA-N 379.438 0.044 30 10 GCEE C#C[C@H]1COCCN1CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O 840168995 SATKMTZHHYHWQQ-YWZLYKJASA-N 385.420 0.950 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 843245010 YEEAOIRJKRFTDE-SJORKVTESA-N 376.501 0.307 30 10 GCEE CCON(C)C(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 846505353 LABCUXMGVHZSHP-AWEZNQCLSA-N 387.396 0.289 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1nccn1C(F)F 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C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(C(F)(F)F)CCCN2)C1=O 911455416 JGBMMGGOKDLMJQ-NHYWBVRUSA-N 376.379 0.032 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CCN(C)CC1 930094720 JDIAGLPYUOIVDD-SFHVURJKSA-N 382.464 0.464 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)C1CCN(C)CC1 931269719 QXDPSEBMOCXDSA-ONFYXGJMSA-N 391.512 0.631 30 10 GCEE COCCCn1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1=O 1118665938 DGHMINUUPFFAEN-AWEZNQCLSA-N 397.439 0.292 30 10 GCEE C=CCn1c([C@@H]2CN(C(C)C)CCO2)nnc1N1CCN(c2nccnn2)CC1 1121495428 HKIJIAJMVLVLAF-INIZCTEOSA-N 399.503 0.757 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCC(N2CCN(C)CC2)CC1 1121611444 ZNRDKKYGMUWBAQ-ZWKOTPCHSA-N 389.548 0.418 30 10 GCEE C=CCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1121708126 IFGJHSJCXUFUAF-KXBFYZLASA-N 384.488 0.492 30 10 GCEE CN(C)C[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1140132819 PSEDISMYJHEKLH-YYHKSVKZSA-N 380.489 0.812 30 10 GCEE 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393.528 0.449 30 10 GCEE CN1CC[C@H](N2CCC(NS(=O)(=O)Cc3csc(C#N)c3)CC2)C1=O 916582813 VDTJZGASRAILMB-HNNXBMFYSA-N 382.511 0.734 30 10 GCEE CN(C)CCN1CCC(NC(=O)C(=O)N(C)Cc2cc(C#N)cs2)CC1 929353493 FIHPBDYSKTXIDZ-UHFFFAOYSA-N 377.514 0.720 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 929570758 VEMLGPMFLZAQKC-MGPUTAFESA-N 392.500 0.690 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)CC1 930010573 RDFCWVGQEDSURP-ZWKOTPCHSA-N 379.501 0.940 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)OC)C[C@H]2c2ccccc2)CC1 931879775 OVVWYACFGGPOPG-LAUBAEHRSA-N 383.448 0.227 30 10 GCEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)NCCO)n[nH]1 1084286292 QZQXKFGQZZBDNW-UHFFFAOYSA-N 380.478 0.846 30 10 GCEE C#CCN(C(=O)C(=O)N1CC[C@H](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1117902191 IATYBZOZGGKVQI-QZTJIDSGSA-N 388.489 0.727 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H]1CCCC2(CCC2)O1)[C@@H]1CCS(=O)(=O)C1 1120408090 JOBVLUBXYHOECV-HUUCEWRRSA-N 382.482 0.243 30 10 GCEE 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C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1286566382 HNJIEHMTMRFKAJ-ZDUSSCGKSA-N 386.522 0.769 30 10 GCEE C#CCNC(=O)CC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1288264532 MATWUZPNKURJCL-LHFCKMJTSA-N 387.480 0.293 30 10 GCEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)O)CCOC1 1288321480 JDJMXKVRMCACIT-KDOFPFPSSA-N 379.461 0.818 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 1289911119 LYSHCBRODJPORX-HWMZRRJGSA-N 376.461 0.588 30 10 GCEE N#C[C@@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCSC1 1292651471 ZQJQWICORJMTET-WBMJQRKESA-N 380.857 0.829 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1300537974 MLAYEJCUZNSLJW-DLBZAZTESA-N 389.525 0.737 30 10 GCEE C[S@](=O)C1(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC1 1325092815 XXAHOMPZBXIQFR-MHZLTWQESA-N 386.437 0.495 30 10 GCEE C#CCN(C(=O)C(=O)N1CCOC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 1325166735 UVMHRDDNTVFHCU-HNNXBMFYSA-N 382.482 0.197 30 10 GCEE 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30 10 GCEE C#CC1(F)CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 881945835 ZIFHMDKUFNBRKS-ZDUSSCGKSA-N 392.408 0.807 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 884177941 XONDCJRDJAYQDR-DLBZAZTESA-N 379.432 0.762 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 884211812 ORENUPHSVMEZRQ-KRWDZBQOSA-N 394.516 0.368 30 10 GCEE COc1cc([C@H](C#N)NC(=O)C2CN(C)CCN(C)C2)cc(OC)c1OC 906481881 LDYACAXOWUNQQP-HNNXBMFYSA-N 376.457 0.887 30 10 GCEE C=CCn1c(-c2cnsn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 908712112 GALSXXSPRVYTSC-LBPRGKRZSA-N 395.514 0.987 30 10 GCEE C=CCC1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 911885160 VVULJHZZCIQJIQ-CYBMUJFWSA-N 387.502 0.950 30 10 GCEE N#C[C@]12CN(C(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]43)C[C@@H]1CS(=O)(=O)C2 921700956 KRBMSKRAMNGYMH-DGMCESFYSA-N 387.552 0.946 30 10 GCEE C=CCN(C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCS(=O)(=O)C1 930379405 KCNPBFJPKRORCK-NEPJUHHUSA-N 382.404 0.989 30 10 GCEE 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30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1772566908 IIPBCJQOGNVYBM-KGLIPLIRSA-N 376.461 0.489 30 10 GCEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 1850463402 BDFLKPOKWZCOEM-LLVKDONJSA-N 386.832 0.996 30 10 GCEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc3nccnc3n2)C1=O 1854226102 KEKLEPBIUVXQQU-HZPDHXFCSA-N 394.435 0.485 30 10 GCEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)no1 1854245801 ZTUCWLQVIVCPEX-INIZCTEOSA-N 395.423 0.204 30 10 GCEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccncn4)C(=O)C3)C2)cc1 1854321497 ZQZAITCYYXWVAP-SFHVURJKSA-N 390.447 0.907 30 10 GCEE C=CCCN1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C(=O)[C@@H]1C 1854332361 YUPUJEBDUNFIQY-HNNXBMFYSA-N 381.436 0.941 30 10 GCEE Cc1ccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2=O)cc1C#N 1855229464 MKIIKFAQIAYVOP-CABCVRRESA-N 389.477 0.974 30 10 GCEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C1(C)C 1856710291 PWYMZNPBSCTLCG-CABCVRRESA-N 398.529 0.942 30 10 GCEE 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C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)F 1722390603 SIZZPASNLCOVRB-NSHDSACASA-N 377.392 0.914 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1722390878 VNSATRIQWZMRHG-CVEARBPZSA-N 393.513 0.778 30 10 GCEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1722406483 YBDKXHUZZCPLDH-SNRMKQJTSA-N 378.473 0.930 30 10 GCEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1722673896 IOZXRLNHGNSMLU-IBGZPJMESA-N 393.488 0.958 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)CC 1740532318 DKEKMRPTUXDINM-AQXOFRPNSA-N 375.520 0.115 30 10 GCEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 1740565172 LIWDWYWILCBFKG-QGZVFWFLSA-N 386.500 0.838 30 10 GCEE C#CCN(c1nnc(C(C)C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740617803 XQSQUDDRIWWMAW-OAHLLOKOSA-N 376.486 0.810 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCOCC3)CC2)CC1 1749004171 FVMARTROALMKAX-UHFFFAOYSA-N 386.500 0.417 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1749170299 KFRHZSNQECGMAV-ZDUSSCGKSA-N 384.506 0.523 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760518442 VFWFHOQJZPEEMF-AWEZNQCLSA-N 398.467 0.923 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1760553276 ABKUZFPDULEPIG-INIZCTEOSA-N 393.448 0.721 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760556371 BGBHUPKPPIUKST-ZDUSSCGKSA-N 381.502 0.498 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1CSC 1772566542 DNWGXPRGSCGCQC-OLZOCXBDSA-N 378.502 0.863 30 10 GCEE C=CCN1CC[C@@H](N2CCN(C(=O)Cn3c(=O)oc4ccccc43)C(=O)C2)C1 1853741767 PUMOGHXCCNQKHE-OAHLLOKOSA-N 384.436 0.526 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1=O 1854318709 HALVXWXEJDNUAW-IRXDYDNUSA-N 398.467 0.555 30 10 GCEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1=O 1855804553 WYVVVBUYDJMHPY-GJZGRUSLSA-N 388.468 0.646 30 10 GCEE COc1cc(=O)n(C)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856533344 KSMHSUWTUWCDLO-HIFRSBDPSA-N 384.436 0.761 30 10 GCEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCOC3)C2)C1 1857477416 KRKZFXQJTKPJLJ-HUUCEWRRSA-N 384.436 0.818 30 10 GCEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561341 LWLDDILQUWALPN-UHFFFAOYSA-N 398.467 0.758 30 10 GCEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 1882491372 WPAHFHNZWXVLNB-STQMWFEESA-N 385.461 0.905 30 10 GCEE COC(C)(C)CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2047616468 OUTPEGIWHIPECU-UHFFFAOYSA-N 377.297 0.426 30 10 GCEE CC[C@@H](C#N)S(=O)(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 2118166383 IQQBDAXGWSIZDY-ZDUSSCGKSA-N 384.462 0.791 30 10 GCEE COC(=O)[C@@H](CCNS(=O)(=O)c1cncc(C#N)c1)NC(=O)OC(C)(C)C 2174784882 SMDITBULHLLIMN-CYBMUJFWSA-N 398.441 0.688 30 10 GCEE CN1CCN(C(=O)[C@]23CCOC[C@@H]2CN(C(=O)OC(C)(C)C)C3)[C@H](C#N)C1 2181053929 QPSLRNFYPGJDAF-KHYOSLBOSA-N 378.473 0.926 30 10 GCEE CC1(C)OB(c2cnc(N3CC(S(=O)(=O)C(F)(F)F)C3)nc2)OC1(C)C 2237660702 BXPYZTQSFJPEAM-UHFFFAOYSA-N 393.196 0.899 30 10 GCEE C[C@@H]1[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1(F)F 2267377141 BXCJFHVLALLMPQ-LDYMZIIASA-N 377.222 0.651 30 10 GCEE C=C[C@]1(O)CCCN(C(=O)[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O2)C1 2279898938 ZXAWWCAQZZHJNQ-QZNHQWIBSA-N 382.457 0.929 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CC[C@H]3C(=O)NC[C@H]3C2)OC1(C)C 2281805014 SFHBLNMMSOFKPE-WDEREUQCSA-N 377.275 0.650 30 10 GCEE CNC1(C(N)=O)CN(C(=O)c2sc(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2281935406 BNKBCPAVTUBMLF-UHFFFAOYSA-N 379.291 0.255 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@@H](CO)C[C@H]2CCOC2)OC1(C)C 2281994696 SOGXUBPKNPVQMH-VXGBXAGGSA-N 382.291 0.960 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4C[C@H](C3)[C@@H](O)[C@H]4O)cs2)OC1(C)C 2282200587 PPSAJDPDDATZDV-HGSJOUDDSA-N 379.287 0.861 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@]34CO[C@](C)(C3)C4)c2)OC1(C)C 2282289613 ZKQDGQSDYDGAGT-QAQDUYKDSA-N 380.275 0.981 30 10 GCEE CC(C)[C@@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282312827 BZAVRBXHVPHIIG-LBPRGKRZSA-N 384.311 0.923 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(N)CCC1 2282332486 BOHZHBUADIGEKC-UHFFFAOYSA-N 384.311 0.269 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@H](CF)C1 2282352324 MZYMGXJUENUTHI-LLVKDONJSA-N 389.258 0.078 30 10 GCEE COC[C@@](C)(CO)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282354161 NDVLJQMLRBIXGY-QGZVFWFLSA-N 385.291 0.662 30 10 GCEE Cc1nc(S(=O)(=O)NCc2cc[nH]c2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506842 YIQUHIXMQFDVBU-UHFFFAOYSA-N 380.279 0.834 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NC[C@@]3(N)CCOC3)c(Cl)c2)OC1(C)C 2282609951 PBGVJPXTFNNNPS-KRWDZBQOSA-N 381.669 0.882 30 10 GCEE CC1(C)OB(c2cncnc2C(=O)N=[S@]2(=O)CC[C@@H](CN)C2)OC1(C)C 2282675396 XEBOOYWHAGKDRM-LJZMDLFKSA-N 380.279 0.363 30 10 GCEE C[C@@H]1CCN[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829982 NOZGKGFDSLDCQD-IUODEOHRSA-N 381.307 0.657 30 10 GCEE Cc1cc(S(=O)(=O)NCCOCCO)ccc1B1OC(C)(C)C(C)(C)O1 2282842425 YHFVINSWKQXUAS-UHFFFAOYSA-N 385.291 0.581 30 10 GCEE C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853581 FVFDEAZQQVWDAW-VXGBXAGGSA-N 384.311 0.090 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)C(C)(C)C 2282854895 XDDSKEGMYMVYTG-LLVKDONJSA-N 387.311 0.405 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4CCN[C@H]4C3)cc2)OC1(C)C 2282864100 BVSWEQCFCNJNOK-BBRMVZONSA-N 378.303 0.968 30 10 GCEE C=C(CS(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1)B1OC(C)(C)C(C)(C)O1 2282866627 MOZAHFYEDWYGDQ-ZDUSSCGKSA-N 388.295 0.341 30 10 GCEE C=C(CS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CO)C1)B1OC(C)(C)C(C)(C)O1 2282882605 OFUWWFBWSJCEOQ-YOEHRIQHSA-N 387.307 0.977 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)N=[S@](C)(=O)CCC(=O)O)OC1(C)C 2284387959 VWPQTTUSGDCRJJ-AREMUKBSSA-N 383.235 0.489 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N(O)CCC(=O)O)ccc2F)OC1(C)C 2284415262 WUIPPBXSBMXCQC-UHFFFAOYSA-N 389.210 0.980 30 10 GCEE CN(C)CCN(CC(=O)O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2284422881 JMSWYHOKOKHGID-UHFFFAOYSA-N 383.279 0.531 30 10 GCEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CF)CNC(=O)OC(C)(C)C 2319396447 BPVGELQIPOUYNC-MLGOLLRUSA-N 378.466 0.380 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CC[C@H](c3nn[nH]n3)C2)OC1(C)C 2362503115 MRWDFXJYDYAVKL-VIFPVBQESA-N 376.251 0.585 30 10 GCEE Cn1nccc1C#C[C@H](N)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2367741883 AEZWMDLCXJYHOS-IPELMVKDSA-N 376.457 0.630 30 10 GCEE CC(C)(C)OC(=O)N1CC(N2CC([C@H](O)C#CC3(S(C)(=O)=O)CCC3)C2)C1 2367788030 NOIJNYCHOJMQBT-MRXNPFEDSA-N 398.525 0.869 30 10 GCEE CN1CCN(C(=O)[C@H]2CO[C@]3(CNC(=O)OC(C)(C)C)C[C@H]2C3)[C@@H](C#N)C1 2368934379 AHYNGAPQCZXSIN-XMDUPGNXSA-N 378.473 0.972 30 10 GCEE Cc1ccc(NC(=O)CN2C(=O)/C(=N/n3c(=O)[nH][nH]c3=O)c3ccccc32)cc1 59166314 LDQDDHNDCIWTHF-XQNSMLJCSA-N 392.375 0.411 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(CC)nn(C)c2CC)CC1 151621075 IELKQHMAVBWUSR-UHFFFAOYSA-N 383.518 0.153 30 10 GCEE CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 268531631 DLTJRQMIEZEBPC-UHFFFAOYSA-N 391.859 0.773 30 10 GCEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 285314309 NCIBUHOTKGPJMH-CYBMUJFWSA-N 375.447 0.742 30 10 GCEE N#CCC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 288062633 GBPBVKIGKLZUPN-UHFFFAOYSA-N 393.241 0.763 30 10 GCEE CS(=O)(=O)N1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 294263404 FOFHWTRKDPIVJO-UHFFFAOYSA-N 375.447 0.494 30 10 GCEE CCC(CC)C(=O)N1CCC(/N=C(/O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 330817869 PGGFFMDDRDWSCA-OAHLLOKOSA-N 388.534 0.951 30 10 GCEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 363576363 GQQLKTNJEILYKZ-UHFFFAOYSA-N 394.472 0.872 30 10 GCEE N#CCCCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 368575947 PFLYQDOLLQGBMG-CABCVRRESA-N 384.436 0.832 30 10 GCEE N#Cc1ccc(OC[C@@H](O)CN2CC(S(=O)(=O)NC3CCCC3)C2)cc1 375389905 GLENXBYEFQCRFD-INIZCTEOSA-N 379.482 0.844 30 10 GCEE CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 411033146 VPHIFUSGOUTGJA-QGZVFWFLSA-N 384.484 0.543 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCOCC)CC1 425909955 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Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H](CO)CC2CC2)n1 2282501079 RWBYLZDAWSUYKN-GFCCVEGCSA-N 385.295 0.159 30 10 GCEE Cc1nc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508539 XTEMVCVIJUTJBO-NWDGAFQWSA-N 383.279 0.190 30 10 GCEE Cc1c(C(=O)NCC[C@H](C)[S@@](C)=O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552514 KXSBUHXPMFIFIV-KPHLJTLVSA-N 383.323 0.915 30 10 GCEE COC[C@H](NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282564739 YSLKFAOXKVEJON-ZDUSSCGKSA-N 382.653 0.869 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CO)C[C@@H]1CO 2282581228 FHZRONJLAYBAQA-NWDGAFQWSA-N 382.291 0.566 30 10 GCEE Cc1sc(C(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1B1OC(C)(C)C(C)(C)O1 2282616193 YCLVGGZLOGXHRJ-OBJOEFQTSA-N 385.266 0.871 30 10 GCEE COCCNC(=O)[C@H](C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633974 GFGGTXPRHXBZED-NSHDSACASA-N 382.291 0.928 30 10 GCEE C[C@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCS1(=O)=O 2282640710 QYTFYELBKZSOIP-NEPJUHHUSA-N 382.291 0.962 30 10 GCEE CCCOCCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282839521 FKIABZCQLQLXLT-UHFFFAOYSA-N 387.311 0.814 30 10 GCEE C[C@H]1NCCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282841876 QWFRZKFTRAKMFB-DGCLKSJQSA-N 384.311 0.138 30 10 GCEE CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851319 ADHLCKXNLTUXKE-WCQYABFASA-N 387.311 0.405 30 10 GCEE COCC[C@H](N)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282861724 RZBICOZLTBKQPA-ZDUSSCGKSA-N 384.307 0.628 30 10 GCEE CC(=O)NCCN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282864634 IYBWJBSLEVHZOV-UHFFFAOYSA-N 382.291 0.742 30 10 GCEE CCN(CC(C)(C)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282869236 ZMNKOHZDNJYCQC-UHFFFAOYSA-N 387.311 0.501 30 10 GCEE C#CCCN1CC[C@H](NC(=O)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 2284239427 WMPHHCRAVMSMDB-INIZCTEOSA-N 376.501 0.751 30 10 GCEE CN[C@@H](C#Cc1cnn(C)c1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2340575774 WEUGYBWRKUGCOT-YOEHRIQHSA-N 382.486 0.442 30 10 GCEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 2342039909 KXRGPJODBXXOLY-CABCVRRESA-N 385.530 0.754 30 10 GCEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367303141 AHAGQYOFDSMXFW-LVZMMCSGSA-N 380.485 0.857 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@H](C(N)=O)C3(CC3)C2)OC1(C)C 2370336052 ATHZTXSBXNCFKH-LLVKDONJSA-N 377.275 0.780 30 10 GCEE C#CC[C@H](O)CN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 2377819333 VAYWXXXESNMKHI-KYNGSXCRSA-N 382.457 0.974 30 10 GCEE C#CCNC(=O)CN[C@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2379431778 XLJZZGJGOUXHJT-IBGZPJMESA-N 379.457 0.960 30 10 GCEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 97512940 ACTPKXSECSNWMY-UHFFFAOYSA-N 394.395 0.222 30 10 GCEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 157730028 AQEWLVCQZBWVHZ-UHFFFAOYSA-N 387.400 0.646 30 10 GCEE Cc1noc(C)c1CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 286666830 LVZAICCKEWWLSF-UHFFFAOYSA-N 382.424 0.566 30 10 GCEE Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 369218647 JZKLDUXFFCCLNK-MRXNPFEDSA-N 383.452 0.834 30 10 GCEE Cn1ccc([C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2ccc(F)cc2)n1 409487635 TXLURFJRXJEWKU-HOCLYGCPSA-N 379.417 0.707 30 10 GCEE C[C@H](N)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 420139836 XJDZGVJRNQBIRE-HNNXBMFYSA-N 392.463 0.938 30 10 GCEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCN1CCO 428138321 AONLSKZZFWZVNR-OAHLLOKOSA-N 379.482 0.903 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 442901736 UJMIRGAKYXQEBW-RJZRQDKASA-N 375.391 0.789 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC1 448618240 LFBOIDRXLOSVEL-UHFFFAOYSA-N 387.419 0.170 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(C)no2)CC1 460003738 IRYFYPWDCPPDPC-HNNXBMFYSA-N 389.456 0.093 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCc1ccccn1 460702277 ZTHAAUNUPGGHKS-UHFFFAOYSA-N 389.419 1.530 30 10 GCEE COC(=O)C(C)(C)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 494385795 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COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 595214666 HTWDVZANOLKFKC-OKILXGFUSA-N 389.408 0.932 30 10 GCEE N#CC1(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCOCC1 597015113 VJXLOAVACNZRML-UHFFFAOYSA-N 385.468 0.947 30 10 GCEE CCC1(N(C)C)CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 601522346 XJVPOGDSFIKHDE-UHFFFAOYSA-N 398.511 0.935 30 10 GCEE C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 625436695 FIHXDAUTMJRLPL-QGZVFWFLSA-N 388.468 0.400 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OC)c2C)CC1 658446669 HPLWLNUIULQVOV-UHFFFAOYSA-N 388.468 0.066 30 10 GCEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415286 LGESRRHUJNIZMC-CQSZACIVSA-N 385.445 0.487 30 10 GCEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664822 OYTVGOSOPIABJN-MRXNPFEDSA-N 378.436 0.882 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCN1C1CC1 759034403 ZATYTEGQVZQNQJ-MRXNPFEDSA-N 379.424 0.464 30 10 GCEE C[C@@H](O)c1cn(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nn1 763029497 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CN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C1(C#N)CCC1 858750863 UREUVWLDDAEFSY-UHFFFAOYSA-N 384.845 0.622 30 10 GCEE C#CCOc1ccc(F)cc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 860687004 ZBEWJTGSLFOFDJ-CYBMUJFWSA-N 385.417 0.620 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 862195883 XTQZXIACHJGABF-INIZCTEOSA-N 387.436 0.705 30 10 GCEE C#CCOc1ccc(CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 867354591 GHNIPGGNFBETDP-HNNXBMFYSA-N 386.495 0.400 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 875600857 DCNPQIGMIDEAJJ-HNNXBMFYSA-N 389.452 0.507 30 10 GCEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC2CCC1CC2 905888183 BXXBIRYIOJVEHV-HTWSVDAQSA-N 396.513 0.428 30 10 GCEE C#CCCCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCO1 909769316 XIXIQAXRXHIILN-QGZVFWFLSA-N 388.516 0.623 30 10 GCEE C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C[C@@H](C)N1CC#N 911703185 LOGAEYJWXARZFX-SXGZJXTBSA-N 383.452 0.898 30 10 GCEE C#C[C@@H](NC(=O)[C@H]1C(=C)[C@H]1C(=O)N[C@@H](C#C)C1CCOCC1)C1CCOCC1 912693340 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GCEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN(CCO)CCO 1870445324 ZNUUMGSYDXFMFZ-UHFFFAOYSA-N 382.457 0.541 30 10 GCEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@@H]1CCOC1 1890720729 GAFYJTIBVYFYIP-KGLIPLIRSA-N 386.470 0.175 30 10 GCEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2nccc(N3CCOCC3)n2)C1 1891296827 KVTVPQCLMDYIFS-AWEZNQCLSA-N 395.423 0.658 30 10 GCEE C#CC[C@H]1CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCO1 1892788863 RERKLBRSKCGZJN-KBPBESRZSA-N 386.470 0.271 30 10 GCEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ncccc3F)s[nH]2)OC1(C)C 2110094367 NIVJITBVTZVPSY-UHFFFAOYSA-N 386.239 0.594 30 10 GCEE CC(C)(C)OC(=O)NCc1nc(NS(=O)(=O)N2CCC[C@H](C#N)C2)n[nH]1 2126784000 PHSMMWDUZLCSLH-SNVBAGLBSA-N 385.450 0.722 30 10 GCEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 2172940958 FIKBMCAZMJILAQ-HUUCEWRRSA-N 396.469 0.910 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2ccc(C#N)cc2)[C@H](O)C1 2197491496 VBXZAJZDVKOFRP-BEFAXECRSA-N 375.425 0.907 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCNC2)OC1(C)C 2267412165 JAYIXGFHHAYBBQ-NSHDSACASA-N 387.336 0.614 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CS(=O)(=O)C1 2267521896 RPJFFIZTTBNLHF-JTQLQIEISA-N 384.288 0.791 30 10 GCEE Cn1cnc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n1 2267714214 VSVMCVQHHWQEDO-UHFFFAOYSA-N 384.292 0.654 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CCO)C(=O)O)c2)OC1(C)C 2269036964 GZKJJICTQKMZCI-SNVBAGLBSA-N 391.276 0.161 30 10 GCEE C#CC1CC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)(C(=O)O)C1 2281279967 MZXJIDSHHMCSAW-XJGHLBKUSA-N 394.346 0.786 30 10 GCEE CC1(C)OB(c2ccc(F)cc2C(=O)NCCNS(C)(=O)=O)OC1(C)C 2281760128 QFRYXBBGGOKAEK-UHFFFAOYSA-N 386.254 0.404 30 10 GCEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)[C@H]1CC(=O)NC1=O 2281943370 NNXMIIITVOPWKM-NSHDSACASA-N 378.259 0.843 30 10 GCEE CN1CCO[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2282010017 VLXAWFHPPIZTFK-QWHCGFSZSA-N 379.291 0.597 30 10 GCEE 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COCC[S@](C)(=O)=NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282573650 DFEBLCUMFHDDOJ-SANMLTNESA-N 385.295 0.912 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCC1(C)C 2282839174 ZXFWFFKVZPXDIW-NSHDSACASA-N 384.311 0.829 30 10 GCEE Cc1nc(S(=O)(=O)NCc2cnoc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282841098 RWZVSKSOVBRIMV-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(C)[C@@H]1CO 2282857021 BLDSMNOVJUGCDH-NSHDSACASA-N 385.295 0.111 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H]1C(F)(F)F 2282867704 CGRKQFGQZPKRQY-SFYZADRCSA-N 396.200 0.343 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC3(CNC3)C2)OC1(C)C 2282869019 WCUURRVPVQLURP-UHFFFAOYSA-N 378.303 0.970 30 10 GCEE C=C(CS(=O)(=O)N1CCC[C@]2(CNC(=O)N2)C1)B1OC(C)(C)C(C)(C)O1 2282869851 JGXAEKLGUCDXIZ-INIZCTEOSA-N 385.295 0.651 30 10 GCEE Cc1nc(S(=O)(=O)NC[C@H]2C[C@@H](N)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282882746 QCSNTHXEQLFDMZ-TXEJJXNPSA-N 384.311 0.043 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)OC1(C)C 2283067371 GAVVQQIOKPCRBH-HGXOIEIDSA-N 381.178 0.242 30 10 GCEE COC[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284393741 PAPCCRKMJNFPEZ-GFCCVEGCSA-N 385.247 0.364 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCN(CC(=O)O)C2)OC1(C)C 2284487500 ZDLFYHSNFCRKNY-JTQLQIEISA-N 381.263 0.331 30 10 GCEE CO[C@@H](CN)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2317602264 DCAAKTPEVJJGOM-JTQLQIEISA-N 376.309 0.299 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(C[C@H](N)C#CC(C)(C)S(C)(=O)=O)nn1 2339668699 TZMOMZZBBCMQHS-GFCCVEGCSA-N 385.490 0.457 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]2CCC[C@@H]21 2359272618 DYAFRWAIQIKLCF-SRVKXCTJSA-N 382.295 0.581 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2[C@@H]3C[C@H]2CN3)OC1(C)C 2359276486 SAPYJXSETAGLIP-TUAOUCFPSA-N 399.347 0.470 30 10 GCEE CNCC[S@@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362336677 SOYLOSUKDDEUDI-AREMUKBSSA-N 384.311 0.485 30 10 GCEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2366850343 JIJQJVNLCAGXEJ-GFCCVEGCSA-N 379.243 0.741 30 10 GCEE CC(C)(C)OC(=O)NCCn1cc([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)nn1 2367799525 BHJYXJGVNNEXRH-ZDUSSCGKSA-N 397.501 0.773 30 10 GCEE Cn1c(N2CCN(Cc3ccc(Cl)s3)CC2)c(C#N)c(=O)n(C)c1=O 28740612 BQBKWDACHCEQEA-UHFFFAOYSA-N 379.873 0.993 30 10 GCEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(S(C)(=O)=O)CC1 42536425 AVVLIZVKSSJEQR-HNNXBMFYSA-N 394.497 0.908 30 10 GCEE C=CCN(CC(F)(F)F)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 66292184 DSDACPSOOKYSDA-UHFFFAOYSA-N 387.362 0.791 30 10 GCEE Cc1nnc(CN/C(=N/C2CC2)N2CC[C@H](S(=O)(=O)NC(C)C)C2)n1C 261991016 RGLRDUACHRUJQB-AWEZNQCLSA-N 383.522 0.134 30 10 GCEE C=CC/N=C(\NC[C@@H]1CCS(=O)(=O)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 262392018 MKQPBOGJTQSXJQ-HNNXBMFYSA-N 384.546 0.884 30 10 GCEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 271043404 OIGTXKSEGUJFFA-OLZOCXBDSA-N 383.451 0.063 30 10 GCEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 271043406 OIGTXKSEGUJFFA-QWHCGFSZSA-N 383.451 0.063 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 273414442 LJRWSKIGGMYWOW-QGZVFWFLSA-N 390.484 0.305 30 10 GCEE N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C/c2ccccc2)c(=O)n1C1CC1 297680375 CSCLCIPUHIHQRL-LNWFBJFBSA-N 381.457 0.607 30 10 GCEE C[C@H]1CN(S(=O)(=O)N2CCC(C/N=C(/O)c3cnn(C)c3)CC2)C[C@@H](C)O1 329361864 YSNXVKJHXIMVLW-OKILXGFUSA-N 399.517 0.791 30 10 GCEE CCn1cc(/C(O)=N/CC(=O)N2CCC[C@H]2C(=O)NC)c(C(F)(F)F)n1 331239491 WIAJNJAIGANLPS-JTQLQIEISA-N 375.351 0.963 30 10 GCEE COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 364110846 RJBPKUCKIONZBJ-CQSZACIVSA-N 382.380 0.632 30 10 GCEE CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[N+](=O)[O-] 370978711 JSEKNSNCTUUCFM-CYBMUJFWSA-N 378.410 0.811 30 10 GCEE COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)c1 409779852 OQBAEIZYNVLGEE-NHYWBVRUSA-N 384.396 0.650 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)O)C3)CC2)c(Cl)c1 422889911 QTTUBSOLKLCYEY-CYBMUJFWSA-N 390.827 0.793 30 10 GCEE C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(CC(=O)NCCOC)CC1 424130722 VBFSCANBHTYMCF-HNNXBMFYSA-N 394.545 0.917 30 10 GCEE Cc1ncc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)s1 460582491 NGOZUJAPLLTVCL-UHFFFAOYSA-N 381.421 1.467 30 10 GCEE COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1F 480723562 SKXPQXWDEBFBBC-HNNXBMFYSA-N 399.444 0.821 30 10 GCEE Cc1cnccc1CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 485863455 ISHSMFGMKAFRMB-UHFFFAOYSA-N 378.436 0.664 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 508498147 PTDPLSLRXVGRGI-HUUCEWRRSA-N 399.517 0.802 30 10 GCEE CN(Cc1cnc(N(C)C)nc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 517206938 ACQGXZHFEMEQAB-UHFFFAOYSA-N 388.453 0.351 30 10 GCEE CNC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCO1 529742953 QZGNYAXHTIOZOT-HUUCEWRRSA-N 389.431 0.680 30 10 GCEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cs1 530311202 BUDGULZFYCSHSB-UHFFFAOYSA-N 377.451 0.865 30 10 GCEE C[C@H](C#N)CN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1 533141703 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CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](O)C1 755440343 GJVUGLUCULBIIK-VNHYZAJKSA-N 395.481 0.238 30 10 GCEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755680308 NRIMQNWMBXDHHL-WQTVUKCASA-N 391.405 0.964 30 10 GCEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)c1 771542624 JHENYQMWEXDUDI-AWEZNQCLSA-N 397.464 0.502 30 10 GCEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)NCCC#N)CCCC1 786296882 QHVSRQDKOQUHQI-UHFFFAOYSA-N 375.429 0.653 30 10 GCEE N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 787755199 JRUUDKMYYQBVQG-HNNXBMFYSA-N 394.439 0.057 30 10 GCEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 800117235 QSOBIXGFQOIOIL-MCIONIFRSA-N 388.490 0.691 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 808282447 APWSSLVBBYLLRV-HNNXBMFYSA-N 398.506 0.590 30 10 GCEE C#CCNC(=O)CN1CCN(S(=O)(=O)CC2Cc3ccccc3C2)CC1 809814805 BWYYXRDKEOWRJB-UHFFFAOYSA-N 375.494 0.098 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C[C@@H](C)C2)s1 822439215 JECGSNNLROBXNP-MYODQAERSA-N 390.552 0.982 30 10 GCEE C#C[C@@H](NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C1CCOCC1 823191935 UMEUHNAMXJRZLV-GOSISDBHSA-N 376.501 0.610 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)c1 827437580 HUDVBQHBPLRFLR-KDURUIRLSA-N 379.478 0.937 30 10 GCEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCc1ccncc1C#N 828878096 WRPVDMVEIFVZPB-NSHDSACASA-N 377.426 0.714 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)CC1 838650840 LULWVDDCGXJULR-OAHLLOKOSA-N 397.520 0.919 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)NC(C)(C)C 844888316 CMJRTZNLIIENGO-OAHLLOKOSA-N 382.486 0.951 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N(CCCO)Cc1ccccn1 846264564 IZFMQLJGIRQZIO-LJQANCHMSA-N 396.447 0.856 30 10 GCEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 846660761 YBSZLBFVJACEQA-HNNXBMFYSA-N 392.437 0.633 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1 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C#CCN(C(=O)C(=O)NCC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1325174824 BNXGZLMQTQSUDK-HZPDHXFCSA-N 383.514 0.016 30 10 GCEE CCN1C[C@@H](CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 1326484260 OJSWWPLNPUSPJV-GFCCVEGCSA-N 381.396 0.062 30 10 GCEE CC(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1326778464 FFWDPXRNLOGMAS-OAHLLOKOSA-N 395.423 0.586 30 10 GCEE COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1327104224 MGUJPTDODRGERB-GDBMZVCRSA-N 398.419 0.191 30 10 GCEE C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(OCC#N)cc2)CS1(=O)=O 1328007716 UBXPATUWGUSLDC-OCCSQVGLSA-N 379.438 0.287 30 10 GCEE C#CCN(C(=O)C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 1328546455 DANSIGZENLHXLG-WDEREUQCSA-N 381.281 0.335 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 1328596939 WUGCMIWQHUUSGD-AWEZNQCLSA-N 375.400 0.344 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CCN1C1CC1 1330388948 NSYUYKVWKWASBG-QGZVFWFLSA-N 379.424 0.082 30 10 GCEE 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386.389 0.914 30 10 GCEE C=CCOC[C@@H]1CN(C)C(=O)[C@@H]2CCN(C(=O)Cn3ccccc3=O)CC[C@@H]12 1614932031 MTTQTDFUAIIPME-OKZBNKHCSA-N 387.480 0.994 30 10 GCEE CCn1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1616337105 VWVFQWCNCMRELX-TVQRCGJNSA-N 387.259 0.676 30 10 GCEE C=CCNC(=O)CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1621965960 VONGWFXSCPKONZ-UHFFFAOYSA-N 394.222 0.268 30 10 GCEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(O)C2=O)c(OC)c1 1624906461 KKHSSMGWCAHTGU-ZIAGYGMSSA-N 377.397 0.415 30 10 GCEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1630743027 KZFILNKVCQCEBX-OAHLLOKOSA-N 391.497 0.877 30 10 GCEE C=C(C)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)OCC 1671199148 MFWGZJKVVZKTEV-ZDUSSCGKSA-N 381.410 0.393 30 10 GCEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC=C 1690066712 MHFINVGVAUOAOE-UHFFFAOYSA-N 391.439 0.683 30 10 GCEE C=CCN(c1nnc(Cc2cccnc2)n1CCS(=O)(=O)NC)C1CC1 1690548776 NLZOLQZFXVVGQQ-UHFFFAOYSA-N 376.486 0.968 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncn(C)n2)C1 1690685146 WMZGFQVHKDELOB-CQSZACIVSA-N 386.460 0.472 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705936050 IXKQZDPQYUWBGG-KGLIPLIRSA-N 397.501 0.085 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1722397727 NBLJKQBCCWSJJF-GJZGRUSLSA-N 382.468 0.607 30 10 GCEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C 1722459685 PJKNDCUDZCPNPV-KBPBESRZSA-N 384.527 0.772 30 10 GCEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ncc(C)o1 1740378055 PXOCXQFASDVLRM-FPCVCCKLSA-N 375.425 0.786 30 10 GCEE C#CCN(C)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1740621200 XJXUOFUTEFNKBR-UHFFFAOYSA-N 383.543 0.679 30 10 GCEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1740640998 BIDCEPPINOJMLY-PXNSSMCTSA-N 382.468 0.752 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2nncn2C)CC1 1740704995 AGADUKWKACFYDK-UHFFFAOYSA-N 382.472 0.688 30 10 GCEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC(N)=O 1740742737 AAJNKYFWSSLUHR-VHSXEESVSA-N 385.266 0.838 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1741129620 GBHPEWWTQCOXTN-BXUZGUMPSA-N 385.432 0.036 30 10 GCEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1749142485 CJCKCBAMEWVRTM-OAHLLOKOSA-N 397.439 0.581 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1749230552 YZYQLSYDZYEBDE-MRXNPFEDSA-N 398.529 0.982 30 10 GCEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 1749302909 ATLIKAZKLDUZCV-UONOGXRCSA-N 379.486 0.615 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1760113899 CUPMVWPWLUTLMM-MELADBBJSA-N 379.486 0.512 30 10 GCEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C[C@@H]1C 1767116994 CDUAGDYVNASGOH-AWEZNQCLSA-N 392.471 0.919 30 10 GCEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2nccs2)CCO1 1771538729 HEGLHDPHYLZPBW-CYBMUJFWSA-N 387.469 0.828 30 10 GCEE COCCN1C(=O)COC[C@@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 1848934631 FETFHTRWORFIJU-FUHWJXTLSA-N 386.452 0.692 30 10 GCEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O)[C@@H]1CCOC1 1854038460 QZKDKSLTTNDMRE-UKRRQHHQSA-N 391.449 0.590 30 10 GCEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccnc(OCC)c2)C1=O 1854193379 IPQUJXPOFDAFGV-JKSUJKDBSA-N 386.452 0.940 30 10 GCEE N#CCCN1CC[C@H](N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)C(=O)C2)C1 1855073243 XDZHTGFFFQAPJR-KRWDZBQOSA-N 398.463 0.659 30 10 GCEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)C1 1855339190 JAHQYZSFMVCXSP-GDBMZVCRSA-N 383.514 0.684 30 10 GCEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(n4nccn4)CC3)C2=O)CC1=O 1855414371 WZNIKXSMYLEURH-GDBMZVCRSA-N 386.456 0.077 30 10 GCEE CN(C)C(=O)CN1CCCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1855736483 JEYIRKCQTVUEES-SFHVURJKSA-N 397.479 0.395 30 10 GCEE C[C@H]1C(=O)N(C(=O)CCn2nnc3ccccc3c2=O)CCN1[C@H](C)CCC#N 1856259365 LOQAQMLNQBOLME-CABCVRRESA-N 396.451 0.933 30 10 GCEE CC(=O)N1CCC(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1 1856322063 JRTLGMJSQIZPJN-UHFFFAOYSA-N 398.463 0.866 30 10 GCEE C=CCN1C[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1=O 1856340302 BMRSPEMZCBTPEG-QGZVFWFLSA-N 396.447 0.642 30 10 GCEE Cn1cc(CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)nn1 1857241176 GPQQMIUOQZXQOW-MRXNPFEDSA-N 393.451 0.983 30 10 GCEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861186394 IITZQNONRVDAHJ-WBVHZDCISA-N 390.459 0.700 30 10 GCEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340406 TYVPYUMWEZBPEN-SNVBAGLBSA-N 388.336 0.796 30 10 GCEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCOC)ncnc21 1875226777 PSQYELOWWHSZQM-UHFFFAOYSA-N 388.472 0.426 30 10 GCEE CN1CCN(CC#CCOC2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1 1889339212 PPFHKEJNWRHOFF-IBGZPJMESA-N 378.517 0.607 30 10 GCEE C[C@H](NS(=O)(=O)c1cccnc1C#N)C1(O)CN(C(=O)OC(C)(C)C)C1 1918781810 LORDPMPWCKSXKK-NSHDSACASA-N 382.442 0.602 30 10 GCEE N#CCONS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2032577139 URYDUEFCDGNJPS-UHFFFAOYSA-N 382.135 0.723 30 10 GCEE CN(Cc1ccccc1)C[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)O 2108329379 DQZFXEPVMVRQBX-INIZCTEOSA-N 380.470 0.642 30 10 GCEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cnn2)[C@H]2CS(=O)(=O)C[C@H]21 2118198855 LHWHOYJMPOPCGC-QWHCGFSZSA-N 379.442 0.571 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)Cc2ccccc2C#N)C1 2126234923 MMPCLSVZYKRWGI-GJZGRUSLSA-N 381.454 0.958 30 10 GCEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1cn(C)nn1 2157048319 ZRZVZDBOFSZNPX-UHFFFAOYSA-N 398.319 0.997 30 10 GCEE Cc1cnc(C#N)nc1N1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2174814202 FUAOCLAJDAHQNI-QWHCGFSZSA-N 393.469 0.879 30 10 GCEE C=C[C@@]1(CO)COCCN1C(=O)c1cn(C)c(CNC(=O)OC(C)(C)C)n1 2199847897 HQIJCHLUNHPPDR-GOSISDBHSA-N 380.445 0.834 30 10 GCEE C=CCN(C)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@@H]2C1 2220118829 ZIJKLUDCFWMQIS-MCIONIFRSA-N 375.491 0.509 30 10 GCEE COC[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255751077 UQSJFDATPPPXSP-LLVKDONJSA-N 377.293 0.333 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)NCC3[C@@H]4CNC[C@@H]34)c2)OC1(C)C 2267411982 GUSOOUUIAASXCT-VXGBXAGGSA-N 384.332 0.791 30 10 GCEE C[C@@H]1[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2267461230 PJOJMTWXLCQSSN-ZJUUUORDSA-N 386.304 0.748 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCNC[C@@H]2C#N)OC1(C)C 2267466129 VWQGICXJWMYSAN-NSHDSACASA-N 383.304 0.533 30 10 GCEE CC(C)[C@H](CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267709243 YHSIHGFQZYAROQ-NSHDSACASA-N 389.352 0.845 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2C[C@H]3CNC[C@@H]32)OC1(C)C 2267714424 XPZVBWFUTNWPCX-GMXVVIOVSA-N 384.332 0.934 30 10 GCEE C=C(CS(=O)(=O)N1CCOC[C@H]1CC(=O)O)B1OC(C)(C)C(C)(C)O1 2269038678 AJQIHJQUWLVMJA-GFCCVEGCSA-N 375.252 0.679 30 10 GCEE CN(C)C(=O)OC1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2281797041 QEAYQAFCADXJAD-UHFFFAOYSA-N 381.263 0.965 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2Cc3nncn3C2)OC1(C)C 2282000893 UGZYXMLYTIFALA-JTQLQIEISA-N 375.263 0.636 30 10 GCEE Cc1nc(C(=O)N2C[C@@H](O)[C@H](O)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282022405 GRBADBXGPNCZLM-PWSUYJOCSA-N 382.291 0.707 30 10 GCEE CN(CCCS(C)(=O)=O)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282038974 PGENRBSTQPGIER-UHFFFAOYSA-N 385.295 0.226 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2282318645 IPFVKRWXXCYROA-ROHXPCBUSA-N 380.279 0.047 30 10 GCEE CCCC[C@H](CN)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282348385 KSICNPBSUWVURM-GFCCVEGCSA-N 386.327 0.515 30 10 GCEE Cc1nc(S(=O)(=O)N2CC[C@@H](C)C2=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282501054 RMORSKFGQKNLED-SNVBAGLBSA-N 383.279 0.585 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]3C[C@@]3(F)C2)n1 2282504432 OQSUKWPPRWRSBH-MEDUHNTESA-N 385.270 0.842 30 10 GCEE CCCCOCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282507146 CGMKIDKMWSALNN-UHFFFAOYSA-N 387.311 0.814 30 10 GCEE CC1(C)OB(c2csc(C(=O)N3C[C@H](N)C[C@@H](C(N)=O)C3)c2)OC1(C)C 2282594073 ZNDDGKATDMSLCL-ZYHUDNBSSA-N 379.291 0.322 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OC[C@@H](CO)[C@@H]4C3)ns2)OC1(C)C 2282604499 UUKXJWKUAABHIT-MDZLAQPJSA-N 380.275 0.522 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N3CCOC[C@H]3CN)c(Cl)c2)OC1(C)C 2282607945 OFCVDWLSKKANSX-GFCCVEGCSA-N 381.669 0.834 30 10 GCEE CN1C(=O)O[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282628619 OUAYHYDEXDMFLZ-GHMZBOCLSA-N 379.247 0.717 30 10 GCEE CC(C)[C@](C)(CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282849772 GVDARLJLFVIXRS-INIZCTEOSA-N 387.311 0.405 30 10 GCEE COC(C)(C)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854188 OLMPCVFDMIHUIL-NSHDSACASA-N 387.311 0.811 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3COCC[C@@H]3N)c2)OC1(C)C 2282859270 KDCGPWRNNVJQIA-LSDHHAIUSA-N 382.291 0.380 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](CN4)C3)cc2)OC1(C)C 2282863077 MSZIAKMQEJXMMQ-HIFRSBDPSA-N 378.303 0.968 30 10 GCEE Cc1nc(S(=O)(=O)N2C[C@H](N)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282866547 LLVIAWXUUMPVEF-CMPLNLGQSA-N 384.311 0.138 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)CC3)c(O)cc2O)OC1(C)C 2282985566 FCEMKVVYWNMHEU-UHFFFAOYSA-N 381.259 0.602 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](O)[C@H](CC(=O)O)C3)s2)OC1(C)C 2284384947 MFVDTUNHBPBKPZ-MNOVXSKESA-N 381.259 0.955 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@H]3C(=O)O)ccc2F)OC1(C)C 2284398323 WRCFQWGVGVTMSW-MFKMUULPSA-N 385.222 0.876 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)OC1(C)C 2284405671 OCDDEMMALNJLPG-IAZYJMLFSA-N 399.299 0.998 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC3(C(=O)O)COC3)c2)OC1(C)C 2284410634 VKJRFYNKAQQKFA-UHFFFAOYSA-N 383.231 0.118 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@@H]3[C@@H](C(=O)O)[C@H]32)OC1(C)C 2284428570 SCIQGQQZXRGQBT-HBNTYKKESA-N 380.231 0.366 30 10 GCEE CO[C@H](CNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284455523 KHJULBAVWFKDDC-JTQLQIEISA-N 384.263 0.970 30 10 GCEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)CC1(C#N)CCOCC1 2339931024 HDTDAVULVAYOQY-ZDUSSCGKSA-N 391.490 0.766 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CCO[C@@H]3CCNC[C@@H]32)OC1(C)C 2362497274 ADCYYSOZLFLNOL-QWHCGFSZSA-N 379.291 0.645 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(O)[C@@H](N)C#Cc1ccnn1C1CC1 2367773703 UATCBXVGCBOEBF-FRQCXROJSA-N 376.457 0.942 30 10 GCEE C#C[C@@H]1COCCN1[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2374762086 CPHFOPLFYLJWOG-ZMYBRWDISA-N 380.441 0.944 30 10 GCEE C#C[C@]1(O)CCN([C@@]2(C(=O)O)C[C@H]3[C@@H](C2)OCCN3C(=O)OC(C)(C)C)C1 2377841806 LTJJADDCLLWNHA-FTUNRGFVSA-N 380.441 0.678 30 10 GCEE C#CCOC1CN([C@@]2(C(=O)O)CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 2378656170 YFWMGTJICHSKFS-RBUKOAKNSA-N 380.441 0.944 30 10 GCEE Cn1nccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 193006581 SSRYBEWBYPWLMP-QPJJXVBHSA-N 385.449 0.838 30 10 GCEE COc1ccccc1C=NNc1nnc(C)/c(=N/Nc2nnc(C)c(O)n2)[nH]1 254630435 WQMCAVIYHDUFEP-UHFFFAOYSA-N 382.388 0.695 30 10 GCEE CC/N=C(/NC[C@@H]1CCC[C@@H]1O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261976186 NRYKFQVHMLUUSN-SQNIBIBYSA-N 379.549 0.741 30 10 GCEE C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](NS(C)(=O)=O)C2)c(OC)c1 265250482 AQQZEQOKRRSLGO-CVEARBPZSA-N 384.498 0.787 30 10 GCEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 279528238 PYYDSRPHMIOGMZ-IBGZPJMESA-N 386.408 0.926 30 10 GCEE Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 285640120 VCYWGBCAACKTHV-CYBMUJFWSA-N 381.440 0.521 30 10 GCEE CN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC(F)(F)F 285753490 AXGAGPCEIINTHG-UHFFFAOYSA-N 398.389 0.212 30 10 GCEE CN1C[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCC1=O 287013956 NBGGWNVRBQCWSU-OAHLLOKOSA-N 384.436 0.665 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(C)cc1C 326864087 VVXVACWDFNZLMS-ZDUSSCGKSA-N 385.463 0.813 30 10 GCEE Cc1nc2n(n1)CCC[C@@H]2N/C(O)=N/[C@H]1CCCN(c2nccn(C)c2=O)C1 329404689 BQIVQTMUJNMXAG-KBPBESRZSA-N 386.460 0.688 30 10 GCEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 329471776 ZFOWDIPVMHCRMK-LLVKDONJSA-N 375.454 0.796 30 10 GCEE Cn1ccc(N2CCC[C@H](/N=C(/O)Cn3cnc4c(cnn4C)c3=O)C2=O)n1 329646558 IZCVNIUDMDNNJN-LBPRGKRZSA-N 384.400 0.016 30 10 GCEE COc1c(C/N=C(/O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)nn1C 329660396 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C=CCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1121608033 RHNBSHLMHPXQPO-HNAYVOBHSA-N 392.504 0.107 30 10 GCEE CCOC(=O)c1cn(C)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1134171920 AXBDRJGWZKUCIQ-UHFFFAOYSA-N 390.421 0.879 30 10 GCEE CCN1C(=O)CO[C@H](C(=O)NCC2CCN(CC#N)CC2)[C@H]1c1ccnn1C 1136779005 AFJWSWMGYSSIDS-MSOLQXFVSA-N 388.472 0.060 30 10 GCEE COc1ccc(S(=O)(=O)NCC(=O)NCC#C[C@@H]2CCCCO2)cc1OC 1158987632 XHUYWNJNSZLVQQ-AWEZNQCLSA-N 396.465 0.671 30 10 GCEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1178206940 CUNYZZZPQMVQRR-UHFFFAOYSA-N 380.426 0.087 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](COCCOC)C1 1262943879 BYSKBVKBLSFARB-KGLIPLIRSA-N 385.490 0.318 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](C(=O)OCC)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1263285840 PMOYTTWTFKBNRR-ZRGWGRIASA-N 393.488 0.534 30 10 GCEE C=CCOCCn1nnnc1N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1263695259 WPROPMYOJLZVPO-DGCLKSJQSA-N 395.407 0.822 30 10 GCEE C#CCN(c1nnc(C)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 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382.442 0.739 30 10 GCEE COc1ccc(C2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)nc1 601500775 YACQLHIHDHBNFU-UHFFFAOYSA-N 385.468 0.854 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1 635157103 PTFOXCQWJDDDAS-JOCHJYFZSA-N 398.507 0.524 30 10 GCEE C=CCOCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 679518543 YEYKLYHLDZPSIB-UHFFFAOYSA-N 381.498 0.620 30 10 GCEE N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)cn1 692351962 FEXIROQIVSGOQB-GOSISDBHSA-N 386.433 0.961 30 10 GCEE C#CCN(C(=O)NCc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 771399257 FLVNYNUENJSNLO-CYBMUJFWSA-N 390.465 0.914 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 783479004 HYFVRXBHCCSWCQ-AWEZNQCLSA-N 379.438 0.456 30 10 GCEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc21 787457861 ZKTBHBQRWQQQAO-UHFFFAOYSA-N 390.403 0.972 30 10 GCEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NC(=O)CC2(C#N)CC2)cc1F 815988262 FDDZPQXQJIRPNR-UHFFFAOYSA-N 375.403 0.696 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 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COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C#CC2CCNCC2)c1 852816897 JLNLXCLEWGGBLA-UHFFFAOYSA-N 379.438 0.079 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(NS(C)(=O)=O)nc2)n1 861393707 PZUABBCGMMALQN-UHFFFAOYSA-N 391.453 0.572 30 10 GCEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCOC1 864483361 MRSPRAMVNPVLQZ-QGZVFWFLSA-N 381.429 0.979 30 10 GCEE C=CCC1(COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCOCC1 870808043 ONJVCPZYZZVMSP-GJZGRUSLSA-N 385.482 0.938 30 10 GCEE C#CCN(C(=O)NC[C@@H]1CC(=O)c2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 876187178 DDCFQHDRTAOLRM-KGLIPLIRSA-N 376.434 0.852 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)CC1 876191581 NQBMXIDICVLUJV-OAHLLOKOSA-N 386.452 0.650 30 10 GCEE NC(=O)C1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 895620130 RSUMJTCOBGWLBS-UHFFFAOYSA-N 378.454 0.276 30 10 GCEE C=C1[C@@H](C(=O)NCCCc2cnn(C)c2)[C@H]1C(=O)NCCCc1cnn(C)c1 900512773 VHJBFXYCMGWWGG-HDICACEKSA-N 384.484 0.754 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@H]1CCN 903777597 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389.254 0.145 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2COC(C)(C)C2)n1 2282836386 IZSIVPYYHSNFLI-NSHDSACASA-N 385.295 0.565 30 10 GCEE C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868556 PAFHBSCFGLJGGV-VXGBXAGGSA-N 384.311 0.923 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H]3CC(C(=O)O)=C[C@H]3O)cs2)OC1(C)C 2284472161 AQHCGQLMVCRKTA-NWDGAFQWSA-N 379.243 0.921 30 10 GCEE CNC[C@@]1(O)CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2286312493 JLNKLNJAAFYUNC-KRWDZBQOSA-N 381.307 0.629 30 10 GCEE Cn1nnc(CNC(=O)OC(C)(C)C)c1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339664864 VLGGSHZDTVCPHF-NSHDSACASA-N 385.490 0.666 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccn(C2CC2)n1 2340428399 UGOKJFHZANZIPR-LSDHHAIUSA-N 383.470 0.868 30 10 GCEE C=C[C@@]1(CO)COCCN1C(=O)[C@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2 2360235646 CNYYXYVZVPUOIY-KYNGSXCRSA-N 382.457 0.788 30 10 GCEE C#CCCN(CC(=O)O)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2361659599 UXYOJXLMXWDLQZ-IHRRRGAJSA-N 382.413 0.326 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC2CCN(C(N)=O)CC2)OC1(C)C 2362574329 SHMMCBZGYJCBFH-UHFFFAOYSA-N 380.279 0.715 30 10 GCEE Cn1cc([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)nn1 2367786019 GBRYEBPPBRBSBD-KBPBESRZSA-N 398.485 0.713 30 10 GCEE C#CCOC1CN([C@]2(C(=O)O)C[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)C1 2373245165 AMOHJIINNMBDAF-DOXZYTNZSA-N 380.441 0.942 30 10 GCEE Cc1nn(C)c(C)c1CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 115713733 NUBPXFPGLCMSKU-UHFFFAOYSA-N 394.479 0.983 30 10 GCEE COC[C@](C)(CCO)NCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 176374584 OKAJAGUZDSMPNL-IBGZPJMESA-N 378.448 0.723 30 10 GCEE C#CCN1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 179177645 RBZATPHLGBJATN-OAHLLOKOSA-N 378.498 0.958 30 10 GCEE C/N=C(/NCCC(=O)N1CCN(C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 261650270 AXWDCZFXELDFAS-UHFFFAOYSA-N 380.537 0.057 30 10 GCEE CC/N=C(/NC[C@H]1CCc2nnc(C)n2C1)N1CCC(CC(=O)NC)CC1 261858464 YZWWWHSQPAIREO-MRXNPFEDSA-N 375.521 0.963 30 10 GCEE COc1ncc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(N)=O 268551011 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N#CCCCCNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 561350845 NFKRMVZQZDVATK-ZWKOTPCHSA-N 397.479 0.512 30 10 GCEE CN(CC1(O)CCC1)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 563429786 CKAIQUMYTMQGPB-UHFFFAOYSA-N 399.494 0.557 30 10 GCEE C[C@H](O)CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c1 563975903 NGEOWOGAIZPZQY-STQMWFEESA-N 389.499 0.611 30 10 GCEE CS(=O)(=O)CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1ccccc1 571819419 YVHPTYIEJCQONB-MRXNPFEDSA-N 377.466 0.789 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2COCC2(C)C)cc1 577191111 ATOFQRHVOMXZRX-FZMZJTMJSA-N 387.483 0.580 30 10 GCEE CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 593530525 YRKRDMJHLZDSOT-UHFFFAOYSA-N 376.438 0.850 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C 593583498 AXWJGEFZLLIPLV-NSHDSACASA-N 386.451 0.543 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2N2CCOCC2)CC1 593765268 WDIROEDAUYHESV-UHFFFAOYSA-N 390.459 0.722 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 594636590 VXAUMWCLSUZQDD-UHFFFAOYSA-N 389.524 0.958 30 10 GCEE CC[C@H](COCC1CC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 595091917 UNHAWPLACKHYIX-QGZVFWFLSA-N 396.451 1.458 30 10 GCEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)n2)c1 600088542 YJAPIQZGKCMLFE-CYBMUJFWSA-N 399.432 0.723 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2OCCC3)CC1 651505714 MFCWDPAYWSIFGK-UHFFFAOYSA-N 379.482 0.620 30 10 GCEE C=CCn1c([C@@H]2C[C@H]3CC[C@H]2O3)nnc1N1CCCN(S(C)(=O)=O)CC1 652557697 JLJQLCXGYWLIMW-RBSFLKMASA-N 381.502 0.971 30 10 GCEE N#Cc1ncccc1S(=O)(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 692357298 TXOYCYTUJIFIBR-GOSISDBHSA-N 386.433 0.961 30 10 GCEE C#CCN(C(=O)c1nnn(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 729333970 DQHRSGMMHSVRLX-OAHLLOKOSA-N 388.449 0.847 30 10 GCEE C#CCN(C(=O)c1cc(S(C)(=O)=O)ccc1CC)[C@@H]1CCS(=O)(=O)C1 759865552 AWRRVVUYRQBRJD-CQSZACIVSA-N 383.491 0.915 30 10 GCEE C#CCN(C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)[C@@H]1CCS(=O)(=O)C1 774051711 DUIFRRBSZCTPKF-CYBMUJFWSA-N 377.422 0.696 30 10 GCEE C#CCN(C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774148084 ZYSGEBOGAYUUTB-GFCCVEGCSA-N 385.392 0.735 30 10 GCEE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177625 NXAXWDALNWFLQE-BFUOFWGJSA-N 395.456 0.870 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 781069893 FXGULKKMSLPBOP-KRWDZBQOSA-N 382.505 0.961 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 787537876 GEMARFUTGAFFFU-UHFFFAOYSA-N 377.422 0.194 30 10 GCEE COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798743910 FKODKTFKOFHAOM-RYUDHWBXSA-N 385.380 0.745 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 832800924 DKYVZTWWGYEZSJ-KRWDZBQOSA-N 398.387 0.301 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 837096156 JOUXZUXGDNFARG-HZPDHXFCSA-N 396.490 0.390 30 10 GCEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 837371923 JNEQJTVEMPMPOD-MRXNPFEDSA-N 393.465 0.251 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 839597052 BJGLJJHJWJBEKN-CQSZACIVSA-N 381.392 0.079 30 10 GCEE C#C[C@H]1COCCN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 841550459 ZPNIMNHAPJHRQQ-AWEZNQCLSA-N 387.502 0.897 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2CN(C3CC3)C(=O)O2)cc1 845069427 VVKPDCHGCHCIRL-ZDUSSCGKSA-N 379.394 0.363 30 10 GCEE COC[C@@H](CS(=O)(=O)NC(=O)c1c(C)oc(-n2cccc2)c1C#N)OC 853201688 GEDFGPBAZVXRIK-LBPRGKRZSA-N 381.410 0.971 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 853711097 LKSFNWUQFCJWHC-UHFFFAOYSA-N 380.489 0.526 30 10 GCEE COCCc1nnc(S)n1N=Cc1c(I)cnn1C 863096301 CHSKJPQPGJHKQN-UHFFFAOYSA-N 392.226 0.976 30 10 GCEE Cc1nc(=NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n(-c2ccc(C#N)cc2)[nH]1 863880744 GIMYKCRMFNKVIP-BKEDOTJMSA-N 379.376 0.528 30 10 GCEE CN1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC[C@@H]21 867313827 IQERYDAAEGJOOI-IRXDYDNUSA-N 382.468 0.154 30 10 GCEE C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccnn1C 867479439 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0.449 30 10 GCEE Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460692474 QPUQHUZIEQGPFA-AWEZNQCLSA-N 390.407 0.827 30 10 GCEE COCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCOC1 470559980 SEZINSGRYAFQAJ-ZFWWWQNUSA-N 381.454 0.489 30 10 GCEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 506196571 ZUCCYEXBGJNSFQ-KRWDZBQOSA-N 394.435 0.519 30 10 GCEE COc1ccc(CN2CC[C@@H]2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 528501396 LQQFGHZDGBHTOP-WBVHZDCISA-N 380.470 0.328 30 10 GCEE N#C[C@H]1CN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCO1 538387552 QJAZSBALXYOKDM-KSZLIROESA-N 383.452 0.519 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)nn(CCOC)c2C)CC1 552851655 KRFUVQYXBBHMQQ-UHFFFAOYSA-N 378.477 0.598 30 10 GCEE COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 553278084 GKZCPLZRMACUPX-QGZVFWFLSA-N 399.495 0.692 30 10 GCEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCCS2(=O)=O)cc1 566412482 GZPIIYBGISWDBQ-UONOGXRCSA-N 379.463 0.975 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1 577291267 DSEXNCAEOROPAK-GFCCVEGCSA-N 397.482 0.431 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl 592076368 FGVGLVWXBDLHSE-AWEZNQCLSA-N 390.870 0.790 30 10 GCEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)CC1 593404293 PNGGXUIQVDNUBI-ZBQLUDKISA-N 381.436 0.987 30 10 GCEE CNC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 593508242 QTFMZFLWPPHXEG-UHFFFAOYSA-N 379.258 0.753 30 10 GCEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnc(C)n2)c(=O)n1CC1CC1 596188048 UBUCZGWPIHMPHL-UHFFFAOYSA-N 397.504 0.838 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCO[C@H]3CC3(F)F)CC2)nc1 597250243 UBHMCQVOERSCDX-AWEZNQCLSA-N 393.394 0.579 30 10 GCEE N#Cc1cccc(-c2cnc(CNC(=O)C3(n4cnnn4)CCOCC3)[nH]2)c1 597403101 YDDZCCILCUAUTJ-UHFFFAOYSA-N 378.396 0.757 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CC1 599550766 YXXOKGNPDIGOTO-IFXJQAMLSA-N 388.493 0.889 30 10 GCEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CN(C)CCO1 601307795 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C=CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)CC1 672355940 HHTBLUNBZXBCME-QGZVFWFLSA-N 389.500 0.703 30 10 GCEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 730144344 JPJCLKJGWACWBA-UFIXSJTLSA-N 387.509 0.625 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CCN1C1CC1 732705725 FGXHFJYUEDZIIY-SFHVURJKSA-N 383.452 0.660 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccnc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 783482086 UJJBAYDWBZXNKL-AWEZNQCLSA-N 379.438 0.456 30 10 GCEE C#CCN(C(=O)NC1CCN(c2nccs2)CC1)[C@H]1CCS(=O)(=O)C1 798508427 FDYQITKBXYTEFT-AWEZNQCLSA-N 382.511 0.944 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 824981122 NZZDUERMVSFJLU-VGWMRTNUSA-N 378.425 0.638 30 10 GCEE C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H](C)N1CC#N 826715916 UOWGUXOWCOFKFX-IRXDYDNUSA-N 385.516 0.961 30 10 GCEE C#CCN(CC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)C(=O)OC(C)(C)C 829599187 GUIZEDPLRCMMAY-YJYMSZOUSA-N 392.456 0.693 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 831568214 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GCEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC4(CCCCC4)C3)C2)c(=O)nc1O 1118837638 KHTZTHOGHANDJB-UHFFFAOYSA-N 385.424 0.387 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1122525219 FNBPJFSIQPUBEW-MRXNPFEDSA-N 385.472 0.514 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCC(=O)NCC#N)C[C@@H]1[C@H]1CCCO1 1140178009 WSHRMNJUCFCKRO-RRFJBIMHSA-N 394.472 0.937 30 10 GCEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 1194059860 FZGARGMAHSSGKH-UHFFFAOYSA-N 398.506 0.666 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)C1CC1 1230102699 CEJIXJOGUPEFJZ-GFCCVEGCSA-N 378.458 0.146 30 10 GCEE CS(=O)(=O)NCC1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1235533546 ZUOLSPHGGZXEQU-QGZVFWFLSA-N 376.482 0.996 30 10 GCEE N#Cc1cccc2c1CN(C(=O)C(=O)NCc1cccnc1N1CCOCC1)C2 1261532904 YOIGCLVWDZSIQN-UHFFFAOYSA-N 391.431 0.948 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](CN(C)CCC)C1 1262944178 JRSPEINNLLTXDC-LSDHHAIUSA-N 382.534 0.996 30 10 GCEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncc2cccnc21 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30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 767726157 QAFBOEQWPKDNEO-LBPRGKRZSA-N 398.462 0.425 30 10 GCEE C#CCN(C(=O)Nc1cccn(CC(=O)OCC)c1=O)[C@H]1CCS(=O)(=O)C1 774049083 AKYBJVWZFNDBCT-ZDUSSCGKSA-N 395.437 0.066 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 784870809 BVQAFYCKFBNWAJ-CQSZACIVSA-N 383.404 0.402 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 788811011 OBDPNJADILUDKP-UHFFFAOYSA-N 398.419 0.650 30 10 GCEE O=C(CN1CCOCC1=O)OCCC#Cc1ccc(CN2CCOCC2)cc1 790786225 TYVCTANXOJAKED-UHFFFAOYSA-N 386.448 0.662 30 10 GCEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802614864 WWUIXOUQZSLOSG-IRXDYDNUSA-N 390.488 0.969 30 10 GCEE CC(C)(CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@@]1(O)CCOC1 834296255 SXDNDFKKAZLGJZ-GOSISDBHSA-N 379.388 0.960 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 834542637 ISMYERGXRHFFEN-SFHVURJKSA-N 398.511 0.367 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 838265125 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CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@]2(C)CO)c1 516785294 IJPMAFVWSDBUFS-HNNXBMFYSA-N 387.483 0.366 30 10 GCEE N#Cc1ccc(S(=O)(=O)CCN2CC3(CCOCC3)CC[C@@H]2CO)nc1 528645545 PEIHRRTVPCNDHI-MRXNPFEDSA-N 379.482 0.980 30 10 GCEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)c1 530317789 VCWWXJGEIXLYIW-ZDUSSCGKSA-N 399.472 0.658 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 556044338 UPMBUCAGUCOKKP-GDBMZVCRSA-N 388.468 0.466 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(CO)(c2ccccc2)C1 563302286 CUJMHJRQPTWIBU-HNNXBMFYSA-N 399.472 0.998 30 10 GCEE Cn1ccnc1CN1CCC[C@H](NC[C@H](O)COc2ccc(C#N)cc2)C1=O 565829350 KCNPFDQQTQSLSE-WMZOPIPTSA-N 383.452 0.812 30 10 GCEE Cc1ccccc1CN1CCN(C(=O)CN2CCN(C(=O)CC#N)CC2)CC1 572494522 YFMWBEULSJSPKB-UHFFFAOYSA-N 383.496 0.697 30 10 GCEE CC1(C)[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 582976654 ZBVPFZMCZCYOSW-ZNMIVQPWSA-N 399.494 0.580 30 10 GCEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 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C[C@@H](C#N)CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CC1 611088638 BHYAUFURPLJJBX-ZDUSSCGKSA-N 380.470 0.810 30 10 GCEE C=CCn1cc(C(=O)N[C@](C)(C(=O)O)c2ccc(S(C)(=O)=O)cc2)nn1 649251322 VOZMKYQRYBGCDV-INIZCTEOSA-N 378.410 0.597 30 10 GCEE C#CCN(C(=O)CCNS(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 729332361 YAIUWZJBEZEQQY-LBPRGKRZSA-N 390.508 0.065 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 755228566 VGMYQXSCDWWNOZ-UHFFFAOYSA-N 386.456 0.710 30 10 GCEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2CCO)CC1 776001441 OWVQWAGILPVSRI-JKSUJKDBSA-N 378.498 0.540 30 10 GCEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 780861382 KAAQYNJYUVKVAF-RBUKOAKNSA-N 378.432 0.962 30 10 GCEE C[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)n1cnc(C#N)n1 798747338 GVYBEUGWTAIARJ-VIFPVBQESA-N 392.322 0.287 30 10 GCEE Cn1c(N2CCCC2)c(C=NNc2ccc(C(F)(F)F)nn2)c(=O)n(C)c1=O 817325419 BPCBVFOCGVMDLY-UHFFFAOYSA-N 397.361 0.939 30 10 GCEE C#CCN(CC(=O)N[C@@H](C)c1ccnn1C)CC(=O)N[C@H](C)c1ccnn1C 828887529 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CO[C@H]1CC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856471 STVVJPKKXVZVBB-RYUDHWBXSA-N 385.295 0.423 30 10 GCEE C[C@H]1C[C@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282863171 NZLKVXFZLGGTON-RYUDHWBXSA-N 385.295 0.111 30 10 GCEE C=C(CS(=O)(=O)N1CC(O)(C(F)(F)C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2284401890 KKLHKOSAAKDKSP-UHFFFAOYSA-N 397.205 0.270 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@@H]3[C@H](C(=O)O)[C@H]32)OC1(C)C 2284428569 SCIQGQQZXRGQBT-GMTAPVOTSA-N 380.231 0.366 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](C(=O)O)C[C@@H](O)C3)ns2)OC1(C)C 2284450617 GNOMIUFUORFYAL-VHSXEESVSA-N 382.247 0.350 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)NCC2(C(=O)O)CC(O)C2)OC1(C)C 2284463902 BPFMNMOSPOVHKB-UHFFFAOYSA-N 382.247 0.398 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1COC(=O)C1 2296238725 JPGHQAJUFSDRAL-CYBMUJFWSA-N 381.259 0.888 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@H](CC#N)C(F)(F)F 2313878641 XEDRRAFZOUAQSE-DTWKUNHWSA-N 387.380 0.885 30 10 GCEE CC1(C)OB(c2sncc2C(=O)Nc2cnn(CC(N)=O)c2)OC1(C)C 2362500743 KPGAZTSASRFNGV-UHFFFAOYSA-N 377.235 0.376 30 10 GCEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)C#Cc1cnn(CCOC)c1 2366098999 IQKUJJMIIGQAGV-GPMSIDNRSA-N 378.473 0.969 30 10 GCEE Cn1nccc1C#CC(=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2367754317 OVKNXBKXPFBHAF-MOPGFXCFSA-N 375.425 0.872 30 10 GCEE C=CC1(N[C@@]2(C(=O)O)[C@H]3COC[C@@H]2C[C@@H](N)C3)CN(C(=O)OC(C)(C)C)C1 2377255247 PSHZMNOSWGYWNU-JOZQASQYSA-N 381.473 0.959 30 10 GCEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 14208918 URERTZFYVZKSKC-QGZVFWFLSA-N 377.466 0.959 30 10 GCEE Cc1cc(N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n2ncnc2n1 29722143 SGRXWJCSVDYNSE-QGZVFWFLSA-N 393.451 0.866 30 10 GCEE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NCCO)n[nH]2)cc1OC 59815078 QSGQCYWQEABDPF-VXLYETTFSA-N 394.457 0.859 30 10 GCEE CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 96377101 MVONMZSCPAADOO-UHFFFAOYSA-N 377.466 0.643 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC)c(F)c2)CC1 119222384 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Cc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1S(=O)(=O)NCC#N 330612486 QGQBBNIHISXBDS-UHFFFAOYSA-N 392.481 0.737 30 10 GCEE Cc1n[nH]c(C)c1NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N 349526447 SYCFXDFMJSZYLY-JTQLQIEISA-N 377.492 0.722 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC2(C(F)F)CC2)nc1 349534280 HEDSDTZRDUNMNP-UHFFFAOYSA-N 394.425 0.802 30 10 GCEE N#Cc1ccc(C2(c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)CC2)cc1 350250647 SWQHPVZZUGITEB-UHFFFAOYSA-N 386.433 0.821 30 10 GCEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C#N)C2)C1 363086771 HVVJZLXWNXTXBR-KBPBESRZSA-N 382.442 0.443 30 10 GCEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@H](C)n3cnc(C#N)n3)C2=O)c1 409763362 DQTBYAVXWQLUIB-LRDDRELGSA-N 398.423 0.992 30 10 GCEE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 422110981 XMSNJMNXLNRCMJ-HNNXBMFYSA-N 384.436 0.523 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 439245210 IMDFVGNCHVWBIW-GOEBONIOSA-N 377.466 0.942 30 10 GCEE COc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1C 527073418 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C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1358994864 XWGDCWHLFQGPJH-MQNRADLISA-N 396.538 0.412 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CCOC)CC1 1359035396 SDGPYMYYVKECII-GOSISDBHSA-N 390.532 0.853 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 1448797351 OQMIUYHWQSPZET-SFHVURJKSA-N 389.433 0.298 30 10 GCEE CN(C)[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)COc2ccccc2C1 1457200153 NLUZUFIAHJOKEN-HXUWFJFHSA-N 395.419 0.139 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)cc(C)nc2OC)CC1 1468583417 IXHBAMQVWXKOGZ-UHFFFAOYSA-N 395.485 0.002 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CC(=O)N(C)C1 1471912973 DNGUJNNGFRIJIZ-JSGCOSHPSA-N 378.454 0.210 30 10 GCEE N#C[C@]12CN(C(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)C[C@H]1CS(=O)(=O)C2 1479559009 KZEVQBDARPNWCE-PLQHRBFRSA-N 397.403 0.848 30 10 GCEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1507557418 QKSDUDBVPYBVIM-GJZGRUSLSA-N 399.517 0.543 30 10 GCEE C=C(C)Cn1c([C@H]2CCNC(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 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0.820 30 10 GCEE C=C(CCC(=O)OC)C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1558137645 XTIFAMSIYBDTGT-UHFFFAOYSA-N 395.481 0.753 30 10 GCEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 1565814776 IJQOZLCWZVPCPX-UHFFFAOYSA-N 377.466 0.335 30 10 GCEE C#CCN1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1 1583003929 LWBHGTIKEVZIDG-ZSYWTGECSA-N 375.513 0.751 30 10 GCEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587842367 PRDMKOOHNQDPDS-UHFFFAOYSA-N 397.483 0.860 30 10 GCEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1611494673 SVHCVVRGFDFFJX-OAHLLOKOSA-N 394.431 0.874 30 10 GCEE C[C@H]1C(=O)NCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1616902074 OHUSECHSTPYITN-SWLSCSKDSA-N 383.408 0.500 30 10 GCEE C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1626948108 HIAQFWSFCHAPOV-ACJLOTCBSA-N 380.445 0.595 30 10 GCEE N#Cc1c(Br)cccc1OCC(=O)NCCNC(=O)c1cc[nH]n1 1632610213 UCKLENLNPNHGLK-UHFFFAOYSA-N 392.213 0.969 30 10 GCEE 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C#CCN(c1nnc(C)n1CCCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1588034576 ITTUXGKUJIORNL-INIZCTEOSA-N 383.518 0.182 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CC1 1588647700 XRPNTWRPLYBVKA-CQSZACIVSA-N 382.486 0.445 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1595466199 GDVMZQARRULLRG-UHFFFAOYSA-N 399.455 0.382 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1595536496 BQMYOFKXGXCRGC-HUUCEWRRSA-N 398.471 0.606 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1595544425 HYACRGMQDUBNMC-KBPBESRZSA-N 399.517 0.344 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595544948 OIAZKHDWWGBWMT-UONOGXRCSA-N 397.501 0.445 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1595545346 WBIJSGVPEBJLIN-GJZGRUSLSA-N 376.461 0.189 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)C1=O 1595554973 GBGYGLDGKZMXEQ-APPDUMDISA-N 383.376 0.103 30 10 GCEE C=C(CN(C)C)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 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C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1722501221 WVUMEGFJHKWYGE-UHFFFAOYSA-N 398.533 0.856 30 10 GCEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722532273 HGTZCTFEVBVRNM-KUHUBIRLSA-N 388.472 0.538 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722705149 AOLVTXRIURHNCQ-GJZGRUSLSA-N 379.461 0.501 30 10 GCEE C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 1735927098 QJMFXLSXUDEROJ-KBXIAJHMSA-N 381.473 0.090 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1740549088 DMMYWYTXTLMSID-KGLIPLIRSA-N 376.486 0.614 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1740611190 WODYHWSJPNPOQP-HNNXBMFYSA-N 381.502 0.871 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COC 1740657861 ZYNWXKVURXRJIS-CVEARBPZSA-N 378.498 0.926 30 10 GCEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1740899210 IHRCWAZOICQANV-AWEZNQCLSA-N 384.502 0.734 30 10 GCEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1748771656 MOKMQSKRQSUSTC-QAPCUYQASA-N 396.513 0.967 30 10 GCEE Cc1csc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)n1 1751751652 GNJWKRKOUKYTFE-ZDUSSCGKSA-N 387.469 0.943 30 10 GCEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760138442 YPVMYYVJPHTYGC-ARFHVFGLSA-N 376.457 0.946 30 10 GCEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760153638 XOMMJDMPQVVZPF-HNNXBMFYSA-N 381.440 0.299 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1760175975 WFJGUKPIOWGURN-CQSZACIVSA-N 399.517 0.353 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1760553279 ABKUZFPDULEPIG-MRXNPFEDSA-N 393.448 0.721 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCOCC1 1760555555 HZSIGKYGJVLCIX-OAHLLOKOSA-N 384.502 1.000 30 10 GCEE C=CCN(C(=O)CCNS(=O)(=O)c1cccc(F)c1)[C@H]1CCN(C)C1=O 1848939901 HUDSZRUGOVIKCN-HNNXBMFYSA-N 383.445 0.739 30 10 GCEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1 1858964631 GYSJGMOYLIQMML-UHFFFAOYSA-N 387.417 0.989 30 10 GCEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1873599006 CYLROPRFBTXJGN-UHFFFAOYSA-N 387.484 0.831 30 10 GCEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCN(C)C)ncnc21 1875229094 OKAYMRVZLXSJGM-UHFFFAOYSA-N 390.488 0.408 30 10 GCEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(c3ncccc3C#N)CC1)CS2 1892286641 FUDFWNYROCQNEA-OAHLLOKOSA-N 396.476 0.889 30 10 GCEE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 1965809371 LCMMPDBBMGAWJU-LJQANCHMSA-N 391.541 0.873 30 10 GCEE N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2CO)CCN1Cc1ccccc1 2101587623 ZMSOPSQLNXPOFC-ROUUACIJSA-N 378.498 0.788 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2108331175 RZCAKHZGLLGXLI-CZUORRHYSA-N 388.490 0.428 30 10 GCEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)N2CC[C@H](C#N)C2)CC1 2118165085 XFNCBBFQVJWJSO-CYBMUJFWSA-N 388.490 0.428 30 10 GCEE C#C[C@@]1(O)CCCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C1 2123592263 MWWANVYHJRKEHS-SJORKVTESA-N 386.470 0.055 30 10 GCEE CC#CC[C@H](NC(=O)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C)C(=O)O 2123887815 WMGQLQJVNUNYGZ-QWRGUYRKSA-N 382.442 0.957 30 10 GCEE N#C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)C1 2140606312 HVUIOIZMOZGOOG-ROUUACIJSA-N 377.514 0.530 30 10 GCEE COC(=O)[C@H](CCNS(=O)(=O)c1cccnc1C#N)NC(=O)OC(C)(C)C 2174784856 SIQPRNFQKOWDIF-NSHDSACASA-N 398.441 0.688 30 10 GCEE C=CCC1(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)CN(C(=O)OC(C)(C)C)C1 2180118166 SPXLNXOQZLBJBT-LBPRGKRZSA-N 381.429 0.601 30 10 GCEE C#CCN(C)C1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2191156488 FUXHNYLMAAZAAZ-CQSZACIVSA-N 399.513 0.186 30 10 GCEE C#CC[C@@H](C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244224791 VRWOOTVUQKWFAC-HIFRSBDPSA-N 382.438 0.786 30 10 GCEE COC(=O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255750467 KEEUMSAAJQXFRH-UHFFFAOYSA-N 375.277 0.889 30 10 GCEE CC#CC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)C(=O)O 2265300005 QNOGMBPDFJZRBQ-GUBZILKMSA-N 382.335 0.786 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCOC1=O 2267357277 SPTJGNIIHZMQTM-JTQLQIEISA-N 387.288 0.950 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CO)CCCO)c2)OC1(C)C 2267366231 CONGHFVBOXGRPE-GFCCVEGCSA-N 391.320 0.459 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H](O)C(F)F)c2)OC1(C)C 2267371647 DFIPSRHELVYMCW-LBPRGKRZSA-N 377.218 0.890 30 10 GCEE C=CCSCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267374253 OUYPIWCOZPJRNL-UHFFFAOYSA-N 387.336 0.917 30 10 GCEE CCOC[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267411106 UFFJTEAVDGCPED-LBPRGKRZSA-N 391.320 0.723 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2COCC[C@H]2O)OC1(C)C 2267467463 CZLGEUXKGUJSSM-VXGBXAGGSA-N 389.304 0.475 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CNC3)sc2Cl)OC1(C)C 2267541732 HXXRKTHUAVZNOB-UHFFFAOYSA-N 386.666 0.857 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C(N)=O)CC1 2267705106 FBEDAOXXGFVEHP-UHFFFAOYSA-N 386.304 0.652 30 10 GCEE CNC(=O)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712757 YVZRXCGIZGTION-UHFFFAOYSA-N 388.320 0.804 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(C(N)=O)CC3)s2)OC1(C)C 2267718524 UVUHKWNMAAZKFI-UHFFFAOYSA-N 386.304 0.591 30 10 GCEE C=C(CS(=O)(=O)NC[C@]1(C(=O)O)CCCO1)B1OC(C)(C)C(C)(C)O1 2269042376 YQMSNRBSDPMGOI-HNNXBMFYSA-N 375.252 0.727 30 10 GCEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3OC[C@@H](C(=O)O)O[C@H]3C2)C1 2279869630 MKYPRSPFHYPVBX-AVGNSLFASA-N 382.413 0.679 30 10 GCEE CC1(C)OB(c2cc(C(=O)NCC3[C@H]4CS(=O)(=O)C[C@H]34)co2)OC1(C)C 2281814511 LDFRJNVFDZBNSQ-CHWSQXEVSA-N 381.259 0.599 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281988065 HDLODWHRLZQITO-WDEREUQCSA-N 383.279 0.404 30 10 GCEE CCn1cc(C(=O)NC[C@H](N)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282043142 IBKODDFJRXYBPX-JTQLQIEISA-N 376.188 0.822 30 10 GCEE CN(C)CC(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282351196 XRKNHDLJNSRTRJ-UHFFFAOYSA-N 386.327 0.338 30 10 GCEE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282423533 PYFHUJMEEZPJQT-GJZGRUSLSA-N 383.275 0.366 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(OC(F)F)C2)n1 2282496524 CITPJLFUPFKALJ-UHFFFAOYSA-N 393.221 0.331 30 10 GCEE COC(=O)CN(C)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282497685 TWXZJVNNDQGHDR-UHFFFAOYSA-N 383.275 0.920 30 10 GCEE Cc1nc(C(=O)NCC[C@@H]2COC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282514300 BCOMCWGJKLIMAE-VXGBXAGGSA-N 382.291 0.878 30 10 GCEE Cc1nc(C(=O)N[C@@H]2CCC[C@@H](O)[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282515959 YLDNMRYEHGGJSP-WZRBSPASSA-N 382.291 0.755 30 10 GCEE CC1(C)C[C@@H](O)[C@@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282530692 XVWINAMRVHUAIS-NEPJUHHUSA-N 382.291 0.789 30 10 GCEE CS[C@H]1CNC[C@H]1NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282580989 AURZRJQULXSUGZ-NEPJUHHUSA-N 380.323 0.461 30 10 GCEE CC1(C)OB([C@H]2C[C@H](C(=O)N3CCCN(S(N)(=O)=O)CC3)C2)OC1(C)C 2282637528 AASQOFUXDXKSRS-JOCQHMNTSA-N 387.311 0.597 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H]1C1CC1 2282831683 CMRBSHHHWCNQFG-LBPRGKRZSA-N 382.295 0.677 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3cccnn3)c2)OC1(C)C 2282832410 OOKRXABVTQHOGI-UHFFFAOYSA-N 376.247 0.649 30 10 GCEE CN(CCC(N)=O)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282844617 GQSFZPRJUMWNFW-UHFFFAOYSA-N 382.291 0.623 30 10 GCEE CC(C)C[C@@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868503 OEOOCHLLCQXZNW-GFCCVEGCSA-N 387.311 0.405 30 10 GCEE C=C(CS(=O)(=O)N1C[C@H]2C[C@@H](O)[C@@H](O)C[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282876414 CUPPDMLLJWFHSS-NMWPEEMBSA-N 387.307 0.567 30 10 GCEE CSCC[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284428337 OZZAKMKOVOCCPN-LLVKDONJSA-N 383.279 0.655 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2COC[C@@]2(C)C(=O)O)OC1(C)C 2284449988 WXZOXLBJZKTHOG-QLJPJBMISA-N 382.247 0.662 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@@H]4C[C@]4(CN)C3)c2)OC1(C)C 2288266744 NIFXJFXQYLWEKY-UGSOOPFHSA-N 378.303 0.955 30 10 GCEE C#CC(CO)(CO)NC(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2290377696 QKWNBQLHHUCXKG-UHFFFAOYSA-N 379.287 0.751 30 10 GCEE CN[C@H](C#Cc1ccc(OC)nc1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2295782722 AMDPUNWEQKKRAK-VCBZYWHSSA-N 377.441 0.684 30 10 GCEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cc(OC)c(OC)c(OC)c1 2323701145 NQEMIBMCUUXHBZ-CABCVRRESA-N 390.436 0.990 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)C#C[C@@H]2[C@@H]3COC[C@@H]32)C1 2342456613 JEMLNORFZXRGTC-LVQVYYBASA-N 383.466 0.876 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC2CN([C@@H]3CCOC3)C2)OC1(C)C 2362569048 LFHAWZBBJRCQLE-GFCCVEGCSA-N 379.291 0.645 30 10 GCEE C=C(CS(=O)(=O)N1CCN(CCN)CC1(C)C)B1OC(C)(C)C(C)(C)O1 2363149111 RDZFQRZLUCDKAU-UHFFFAOYSA-N 387.355 0.859 30 10 GCEE Cn1cc(C#C[C@@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)cn1 2366038229 VBWLANTVCDPIJC-HUUCEWRRSA-N 396.513 0.912 30 10 GCEE Cn1nccc1C#C[C@H](N)[C@@]1(O)CCCOC12CN(C(=O)OC(C)(C)C)C2 2367744993 XZJVXXATVZEGON-KXBFYZLASA-N 376.457 0.630 30 10 GCEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@]1(O)CCOC[C@H]1NC(=O)OC(C)(C)C 2368402814 FTCZHJWSPPJOTK-PNNYDICQSA-N 380.485 0.905 30 10 GCEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)N1CCN(CC#N)CC1)CO2 2368682548 HAJXDGFLJYGCOR-HVEKOLDVSA-N 378.473 0.974 30 10 GCEE C#CC(CO)(CO)N[C@@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2379605253 HBIGTYUPTWBQKV-KSSFIOAISA-N 384.473 0.956 30 10 GCEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C(=O)[C@@H]1C2 4097211 OJQSYBOSDDVFNO-LXGOIASLSA-N 397.339 0.095 30 10 GCEE biogenic,in-vitro CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 10937937 MTFJRFCTTNSACY-IBYYOGEZSA-N 376.413 0.083 30 10 GCEE CN(C(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1(C#N)CCCCC1 10938301 ZMJWVDGUPRZPKP-BQYQJAHWSA-N 388.424 0.325 30 10 GCEE C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C 248688854 WWXNPRHCDNVEQP-KBPBESRZSA-N 375.473 0.967 30 10 GCEE CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 268957491 WONQZHSWJJHPJJ-OLZOCXBDSA-N 378.454 0.304 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](CC)CO)CC2)c1 269483070 KZOSPZJTLXSQSF-MRXNPFEDSA-N 381.498 0.680 30 10 GCEE C(#CCN1CCC[C@H](Cn2ccnn2)C1)CN1CCC[C@H](Cn2ccnn2)C1 284270949 XLLSPCDXBMCVLY-PMACEKPBSA-N 382.516 0.997 30 10 GCEE 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N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2)c(=O)nc1O 530267352 QBCBUENDBOWDRM-LBPRGKRZSA-N 379.376 0.257 30 10 GCEE C[C@H]1CCN(c2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccn2)C1 530270707 RVUDYIFTAJLAKH-LBPRGKRZSA-N 380.408 0.759 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OCC)cc2)CC1 547303385 WGINLDOCZDIIOJ-UHFFFAOYSA-N 388.468 0.262 30 10 GCEE Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 556635248 WDWKYSLTLHXYJE-CYBMUJFWSA-N 381.440 0.521 30 10 GCEE C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 563073041 VTBQAWSBBBZARG-CRAIPNDOSA-N 385.468 0.367 30 10 GCEE N#Cc1ccc(OCCNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 563581671 VHSHUQUYHHFNOP-KRWDZBQOSA-N 385.468 0.790 30 10 GCEE C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C(=O)OC(C)(C)C 567732169 WTNHOTGRMHBMOY-KBPBESRZSA-N 389.456 1.562 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCO2)c1 572257475 RWHSFLNNRGEHHX-STQMWFEESA-N 387.483 0.724 30 10 GCEE C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 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GCEE C=CCCOCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 683138843 NCPUQSFHXCZDNH-INIZCTEOSA-N 389.500 0.542 30 10 GCEE C#CCN(C(=O)c1ccc(-n2cnnn2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 729332881 AYRWFWUJDCLCFX-GFCCVEGCSA-N 379.829 0.578 30 10 GCEE N#C[C@H]1CN(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CCN1C1CC1 732672764 MOFARLBQCWHLBN-AWEZNQCLSA-N 375.502 0.797 30 10 GCEE COc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1C#N 746773059 QGVKITVXIYHCEO-UHFFFAOYSA-N 399.451 0.543 30 10 GCEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765145684 LIKAWFSUNJASID-UHFFFAOYSA-N 396.428 0.665 30 10 GCEE C#CCOc1ccccc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 768263457 JBQSBCNPPMRYHV-UHFFFAOYSA-N 379.482 0.393 30 10 GCEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@H](C#N)C2)C1=O 771467891 IPJNTQPLHRSBQE-BFUOFWGJSA-N 386.408 0.522 30 10 GCEE C#CCN(C(=O)Cc1ccnc(O)c1Br)[C@@H]1CCS(=O)(=O)C1 772147450 APORCTBDMAYOGD-LLVKDONJSA-N 387.255 0.741 30 10 GCEE COC[C@](C)(CCO)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 778435176 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CN(CCO)S(=O)(=O)c1ccc(C(=O)NOc2cccc(C#N)c2)cc1 1635506696 PZCMNHKGXAXINH-UHFFFAOYSA-N 375.406 0.895 30 10 GCEE O=C(c1cnn2c(=O)cc[nH]c12)N(O)CCCN1C(=O)c2ccccc2C1=O 1639054582 RTYLKRCHHGPRKP-UHFFFAOYSA-N 381.348 0.540 30 10 GCEE COCCOC1(CNC(=O)CNC(=O)c2ccc(C#N)cc2)CCOCC1 1640968528 KNIODCVAHDMVOX-UHFFFAOYSA-N 375.425 0.616 30 10 GCEE CC(=O)c1cccc(OCCCC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1641968194 VJAUKAPGLJGMFT-UHFFFAOYSA-N 384.392 0.999 30 10 GCEE N#Cc1ccc([C@H]2CN(C(=O)C3CCN(S(N)(=O)=O)CC3)CCO2)cc1 1647997356 BAVSSMCMIHEJOK-MRXNPFEDSA-N 378.454 0.374 30 10 GCEE CN(C)c1cc(C(F)(F)F)nc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1651481364 PXCXWRPZIFNYSE-TVQRCGJNSA-N 375.376 0.936 30 10 GCEE COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1665585550 BXPMMLYEKVSKNN-UHFFFAOYSA-N 375.410 0.579 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCNS(C)(=O)=O 1690045939 UGIORDSNUAGMBJ-MRXNPFEDSA-N 393.513 0.922 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690628973 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CCc1nnc(N2CC[C@H](C(=O)OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764787165 LGGGKTFWAXMHIE-VVLLMFOMSA-N 388.428 0.366 30 10 GCEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768133958 UGWLOOYAXRTIAB-INIZCTEOSA-N 387.488 0.727 30 10 GCEE COCc1nc(N2CCOCC2)ncc1C(=O)N(C)C(=S)N=CN(C)C 1851477159 ZFUXNDMHRLLFMF-UHFFFAOYSA-N 380.474 0.406 30 10 GCEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[C@H]1CCN(C)C1=O 1852009971 ZJQSIXKHKQLVSX-HOCLYGCPSA-N 379.482 0.907 30 10 GCEE N#Cc1ccc(NC(=O)NCCN2CCN(CCn3ncccc3=O)CC2)cc1 1852995141 UZUVNCZETBTMHO-UHFFFAOYSA-N 395.467 0.554 30 10 GCEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@@]2(C)CCS(=O)(=O)C2)CC1 1853451868 QUOKADKFIAPWLW-AWEZNQCLSA-N 388.515 0.633 30 10 GCEE CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)C1 1853743771 SCMOECHCUSEHAW-KSSFIOAISA-N 384.436 0.478 30 10 GCEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(-n4cccn4)ccn3)C(=O)C2)C1 1855039659 XXNPBUODDOAJFW-KRWDZBQOSA-N 393.451 0.540 30 10 GCEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)CC1=O 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C[C@H]1C[C@@H](C)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 619285219 DCTYPDNGMBLOOB-GASCZTMLSA-N 376.482 0.874 30 10 GCEE C[C@@H](C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)n1cnc(C#N)n1 619610810 BQNAUBDQIWHRSL-HNNXBMFYSA-N 393.451 0.444 30 10 GCEE C=CCOCCCNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 668861901 PBEYYWJGDGORCZ-UHFFFAOYSA-N 383.470 0.408 30 10 GCEE Cc1ccc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1S(=O)(=O)NCC#N 765271783 MYBRFWIOXPQKFN-AWEZNQCLSA-N 392.437 0.464 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccncc1OC)c1cc[nH]n1 772642194 WPYRYWYHFISDNS-NSHDSACASA-N 375.385 0.975 30 10 GCEE C=CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 772709451 DTNBPSQFGLIGQE-GFCCVEGCSA-N 391.471 0.324 30 10 GCEE C#CCN(C(=O)NCCOc1ccc(C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 774211914 PBKUURSHLWWUEA-HNNXBMFYSA-N 394.449 0.684 30 10 GCEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774225101 FNQQEJKHORFDLZ-SJORKVTESA-N 389.477 0.932 30 10 GCEE C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 793924123 MKKBUFMNHHCWPA-GFCCVEGCSA-N 378.454 0.242 30 10 GCEE C#CCC(CC#C)C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 803700404 OKHXQTJNKAXNES-DLBZAZTESA-N 395.477 0.387 30 10 GCEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2nc(C#N)cs2)CC1 814851222 NVZOUELXMKBFNY-UHFFFAOYSA-N 391.482 0.792 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@H]([C@H](C)N)C2)n1 817983468 DXHAURJBCORKQF-HOTGVXAUSA-N 375.473 0.077 30 10 GCEE C#CCN(CC(=O)N1CC[C@@H](O)C(C)(C)C1)CC(=O)N1CC[C@@H](O)C(C)(C)C1 822295895 KAEPKIPYWHPJQU-IAGOWNOFSA-N 393.528 0.160 30 10 GCEE C#CCN(CC(=O)N1CC[C@H](N(C)C)[C@@H]1C)CC(=O)N1CC[C@@H](N(C)C)[C@@H]1C 823161697 TYYGARXLVDCMPD-CADBVGFASA-N 391.560 0.024 30 10 GCEE C#CCN(CC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C)CC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C 823587986 RYXTVFPGVRHRBX-ZOFHRBRSSA-N 393.528 0.781 30 10 GCEE C#C[C@@H]1COCCN1C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 838587955 SOZPGAUSDVDCFB-CQSZACIVSA-N 379.438 0.112 30 10 GCEE C[C@H]1CN([C@@H](C)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 847313822 DOOFSIBKOKYJAA-VOYJBQKSSA-N 379.461 0.310 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 847554243 YGIZDTTTWWHBTM-HNNXBMFYSA-N 376.457 0.873 30 10 GCEE C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@](C#N)(c2ccccn2)C1 852331243 WYEGKIVEHNCCBB-RNODOKPDSA-N 396.451 0.190 30 10 GCEE N#CCC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(F)nc2)C1 852906277 AKXDEGZCSVTTGS-UHFFFAOYSA-N 390.462 0.918 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccccc1N 855496002 QXYFMHRAWBDZJC-UHFFFAOYSA-N 381.454 0.351 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCCNC2=O)s1 874290712 RNSWJUBHFCPQBI-CYBMUJFWSA-N 385.511 0.882 30 10 GCEE CNC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 903784787 MEEJFQYSAGQQAS-AWEZNQCLSA-N 390.513 0.572 30 10 GCEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CN3CCCN2CC3)c1 917051308 VZFUAFJMWDFYGH-AWEZNQCLSA-N 399.314 0.989 30 10 GCEE C#CCN(C(=O)C(=O)NCCCN(C)C(=O)OC(C)(C)C)C1CCN(C)CC1 929518934 TUMVPQFUBCDGTG-UHFFFAOYSA-N 394.516 0.916 30 10 GCEE CCN1C(=O)NC(=O)/C(=C/c2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O 1084607532 QHLZOPRHGRVNRM-LCYFTJDESA-N 394.409 0.437 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1119214884 BCUDLCGEVNEZLK-XHDPSFHLSA-N 395.818 0.855 30 10 GCEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1141670003 XOWQBCQVDGXDHW-UHFFFAOYSA-N 393.469 0.219 30 10 GCEE C#CCN(C(=O)Nc1ncc(CC(=O)OCC)s1)[C@H]1CCS(=O)(=O)C1 1206419793 NALXMTCLMJTFKZ-NSHDSACASA-N 385.467 0.903 30 10 GCEE C=CCc1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)NC)C2)cc(OC)c1OC 1261394575 HHUKNDCRKZLAPR-HNNXBMFYSA-N 389.452 0.643 30 10 GCEE C#C[C@H](C)N(C)c1nnc(CN(C)S(N)(=O)=O)n1CCc1ccccc1 1263173451 BEOOLULLEJZKDC-AWEZNQCLSA-N 376.486 0.614 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286774298 HQJFSRKCOQNQGF-LSDHHAIUSA-N 389.504 0.452 30 10 GCEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OCC)CC1 1286789774 KXKFSYIWOAWNEU-UHFFFAOYSA-N 376.461 0.811 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)Cc1ccccc1C)c1cc[nH]n1 1296454891 FRGVXLJVCRQTQR-OAHLLOKOSA-N 388.424 0.722 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1300464424 DRWSAMNTNGIYPI-GFCCVEGCSA-N 378.458 0.438 30 10 GCEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 1301067208 YBWLCPFPVMRBTH-UONOGXRCSA-N 385.490 0.460 30 10 GCEE COC(=O)c1cc(C#N)c(=O)n(CCOCCN2C(=O)c3ccccc3C2=O)c1 1307284699 JZHMONJNUVJYGG-UHFFFAOYSA-N 395.371 0.819 30 10 GCEE COc1ccc(Cl)cc1CNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1308127769 HIZWISMUHCLSMV-SUMWQHHRSA-N 397.884 0.835 30 10 GCEE C#CCNC(=O)CNCC[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1318816791 NTDHUFRMRHHAHM-VUHPKUFZSA-N 377.485 0.006 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 1324838037 QAMNACPEFUEXPV-AWEZNQCLSA-N 395.506 0.046 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1325632323 KHYATVLFJUTELW-KRWDZBQOSA-N 391.493 0.013 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 1326704162 FQGOHLYVZKXQPB-JKEDJMADSA-N 397.475 0.967 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 1327700340 PFYJNNBNZZGSOB-DOTOQJQBSA-N 395.525 0.711 30 10 GCEE C#CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)NC 1330180612 LKHUMSULPUAQPA-INIZCTEOSA-N 386.452 0.625 30 10 GCEE C=CCC1(O)CCN(C(=O)C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)CC1 1335094401 ZRLSXRSBWNPGRQ-GOSISDBHSA-N 379.457 0.653 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1335169802 LHLHOZXYOLIMKE-IBGZPJMESA-N 396.491 0.461 30 10 GCEE C#CCOc1ccccc1CNC(=O)C(=O)N1CCC2(CC1)CO[C@H](CN)C2 1335739979 QOTCKWKQWGNKPF-KRWDZBQOSA-N 385.464 0.671 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCCC2)CCN1C1CC1 1336119034 BTDUBGJPAYABSZ-KRWDZBQOSA-N 389.500 0.388 30 10 GCEE C#CCN(c1nnc([C@H]2CCNC(=O)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1339069666 WRAVVGUJMBLPQI-KBPBESRZSA-N 377.470 0.084 30 10 GCEE N#CC1(CNC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCCCC1 1340868540 XWNNLUZFFBXDPP-HNNXBMFYSA-N 376.457 0.473 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)NCCN2C(=O)COc3ccccc32)c(F)c1 1341204186 QZGUVLCNWGTNOI-UHFFFAOYSA-N 396.378 0.855 30 10 GCEE C=C(C)Cn1c(N2CC[C@@](OC)(C(=O)OC)C2)nnc1[C@@]1(O)CCSC1 1343053649 KVMPJHJOBJKAGY-SJORKVTESA-N 382.486 0.947 30 10 GCEE C#CC[C@@H]1CCCN(c2nnnn2CCS(=O)(=O)N2CCSCC2)C1 1343817026 CTQYYAVYTPEPAE-CQSZACIVSA-N 384.531 0.291 30 10 GCEE C=C(C)Cn1c(C[S@](C)=O)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1346281638 LKPCGXIDTSPHNC-DXMSMQRWSA-N 386.543 0.994 30 10 GCEE C#CCCN(CCOC)c1nnc([C@H]2CCNC(=O)C2)n1C[C@H]1CCCO1 1347991555 SPVHQCJSKNKZQM-JKSUJKDBSA-N 375.473 0.927 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1358992639 RJURZYOUSWDGJL-DLBZAZTESA-N 384.484 0.413 30 10 GCEE C=CCOC[C@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)C(=O)OC 1448496997 QQTIFNBJAHIPIK-ZDUSSCGKSA-N 394.428 0.975 30 10 GCEE N#C[C@]12CN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C[C@H]1CS(=O)(=O)C2 1463163148 KYHGOHXLGBBBCH-GRDNDAEWSA-N 377.422 0.260 30 10 GCEE C#CCN1CCCN(C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 1465278427 KQZPUUDJIIGZCB-UHFFFAOYSA-N 375.425 0.349 30 10 GCEE C#CCCCCC(=O)N1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1489476535 XZJPEYQCUMMVBM-VQHPVUNQSA-N 377.485 0.956 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)COC)CC1 1507728436 YMLSEMFEJBNSPC-UHFFFAOYSA-N 388.516 0.828 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(N)=O)nc1 1507759115 AUHHUZKRAMBKHT-HXUWFJFHSA-N 395.467 0.951 30 10 GCEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C1CCN(C)CC1 1514633103 RHPTVRVMYHWMCW-OAHLLOKOSA-N 393.509 0.515 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@@]3(C)C[C@H](O)CN3C)n2C)n1 1519523269 HFSDYPPYEYAICW-QFBILLFUSA-N 387.488 0.209 30 10 GCEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)[C@@H]1CCCO1 1537762678 GHKWWXIPHLYWOU-GJZGRUSLSA-N 399.490 0.416 30 10 GCEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C 1539200447 IJZZJXRVHMKGDE-LZWOXQAQSA-N 375.473 0.986 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C(N)=O)C1 1540902775 PUXNREYOAPCJQE-AWEZNQCLSA-N 381.502 0.848 30 10 GCEE Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1542390295 FAHKIUCAIBWQGU-HOTGVXAUSA-N 384.440 0.566 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CS(C)(=O)=O)s1 1585979186 VNRJMSUIHALJNF-SNVBAGLBSA-N 380.513 0.304 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588800401 DTUKDYZSULJNGT-FQEVSTJZSA-N 379.468 0.574 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC1 1588811710 MRYDCBLJXMBGSE-OAHLLOKOSA-N 395.529 0.096 30 10 GCEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1611702098 NYSRQKKLEMWGGT-GDIGMMSISA-N 381.473 0.590 30 10 GCEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)N(C)[C@@H]1C 1614154586 SYEZTTBDMXVFLE-FYUOJSMYSA-N 391.515 0.682 30 10 GCEE C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1624868963 UOADUNZXPLPUGC-NSHDSACASA-N 380.330 0.365 30 10 GCEE CN(C)c1ccc([S@@](C)(=O)=NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1635336590 ZYRYAIRCHVXPIC-AREMUKBSSA-N 375.410 0.570 30 10 GCEE C#CC1(O)CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 1641041526 ZWURLAXUDUAQHU-UHFFFAOYSA-N 383.404 0.481 30 10 GCEE N#CC1(C[C@@H](O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)CCOCC1 1644168632 VUFSDLCAOKXDOE-IAGOWNOFSA-N 385.530 0.253 30 10 GCEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)nc1 1645084765 FASKFMOJKCIDIM-OAHLLOKOSA-N 377.470 0.087 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCO[C@H]2CC)CC1 1649509733 DZJCFRFXMKVIOX-BDXSIMOUSA-N 379.501 0.653 30 10 GCEE C#CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1669451786 NBQJSOKCJOCRCB-AWEZNQCLSA-N 381.454 0.985 30 10 GCEE CN(CCNC(=O)N1CCO[C@](C)(C#N)C1)S(=O)(=O)c1ccc(F)cc1 1672160253 NEXUMFINGQJZAH-MRXNPFEDSA-N 384.433 0.770 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCOC12CCOCC2 1676665269 LCMASXSMZTVMCT-GDBMZVCRSA-N 386.456 0.906 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 1684576246 TWQASAAZUWWXEC-SVGFKBNWSA-N 377.485 0.847 30 10 GCEE C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1ccncn1 1686176159 KVZNHZFJPNIOHX-YRXWBPOGSA-N 381.480 0.755 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1COCCO1 1690043474 CHLGBLNWRWKOQB-OAHLLOKOSA-N 397.435 0.884 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)CC1 1705639289 LAPWLIJFYPXNMG-PXNSSMCTSA-N 388.516 0.342 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)NS(C)(=O)=O 1719939483 JBGBVWMMHNWLGK-ZSAUSMIDSA-N 399.513 0.153 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccn1 1722372723 DDEXWIWOKLSQTD-OAHLLOKOSA-N 386.481 0.599 30 10 GCEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722600746 SOTSMKFBMSJYGY-CVEARBPZSA-N 390.488 0.927 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722685128 RCYSTLVIBGSHII-CQSZACIVSA-N 375.477 0.999 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1CCOCC1 1736497130 SVSSUWDPADDSAF-ZBRFXRBCSA-N 377.485 0.548 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)N(C)C 1740290732 JNEXGBIFOWRIGZ-MDLJMBGESA-N 399.513 0.107 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCNS(C)(=O)=O 1740630168 GFNWHWRJSUKHSQ-UHFFFAOYSA-N 387.465 0.576 30 10 GCEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1748766689 UXOWANODXLPWSS-UHFFFAOYSA-N 388.453 0.572 30 10 GCEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1749831173 XLLKUPLNDRULOS-FZKQIMNGSA-N 389.460 0.074 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)C(C)(C)C1 1760520832 AUZODUWALBSSAM-STQMWFEESA-N 376.461 0.393 30 10 GCEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1767854642 MIFFMORLSXODEA-OAHLLOKOSA-N 398.489 0.922 30 10 GCEE CCS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1768285604 IQALTGOBJGOSQC-CHWSQXEVSA-N 397.505 0.154 30 10 GCEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1769700190 HAGMTIPGVQZHQX-INIZCTEOSA-N 388.476 0.376 30 10 GCEE C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1772515055 BPLQOBXPKGQDFZ-XLAORIBOSA-N 377.485 0.006 30 10 GCEE O=C(CNS(=O)(=O)c1c(F)cccc1F)NCC#CCN1CCCCC1 1850298586 OYNZGOHNMFWWBU-UHFFFAOYSA-N 385.436 0.849 30 10 GCEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2cccnc2)C1=O 1853682544 LXNWNZNDPBBYDS-IAGOWNOFSA-N 386.452 0.697 30 10 GCEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ncon3)C3(CCCC3)C2=O)CC1=O 1853929524 KLFLMXJEUUMZFJ-CQSZACIVSA-N 387.440 0.588 30 10 GCEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CC(Cn4cncn4)C3)C2=O)ccn1 1855896830 VDJOHHLDHIVOKE-QGZVFWFLSA-N 379.424 0.698 30 10 GCEE C=CCN([C@H]1CCCN(C(=O)C2CC3(CC(=O)C3)C2)C1=O)[C@@H]1CCN(C)C1=O 1856750286 UMOFRIJMZIKWGI-DLBZAZTESA-N 387.480 0.982 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(c4cncn4C)CC3)C2=O)CC1=O 1856905913 JDKWVOGCQHNZCJ-DLBZAZTESA-N 399.495 0.762 30 10 GCEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1857485126 CVXUZTGXEKXEOF-NVXWUHKLSA-N 387.484 0.632 30 10 GCEE C#CCOCCN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535297 YQLKBPLYYDSKCR-SFHVURJKSA-N 396.440 0.922 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)CC1(C#N)CCOCC1 2062350487 ARNZHLWBBJBJQG-GFCCVEGCSA-N 377.463 0.112 30 10 GCEE C=CCC1([C@H](N)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2089480316 HHMISCMLGPBZGG-CQSZACIVSA-N 389.518 0.789 30 10 GCEE N#Cc1c(Cl)ncnc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2106583671 BFYVOHOUDKIGBW-RNFRBKRXSA-N 376.726 0.360 30 10 GCEE N#C[C@H]1CCN(S(=O)(=O)NCCn2cc(I)cn2)C1 2108278292 SGCCDBMHIDWKKE-SECBINFHSA-N 395.226 0.168 30 10 GCEE Cn1nc(CNC(=O)NCC#CC(=O)O)c(I)c1Cl 2117759447 WKPUILBLZMZJKJ-UHFFFAOYSA-N 396.572 0.565 30 10 GCEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(N)(=O)=O)CC1 2124706476 SVSVDYOIXWZLRG-ZDUSSCGKSA-N 388.490 0.031 30 10 GCEE C[C@@H](NS(=O)(=O)c1nc[nH]n1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130085362 KPPYEFYUUIZYBZ-MRVPVSSYSA-N 385.280 0.600 30 10 GCEE CC#CC[C@H](NC(=O)NCCn1cc(I)cn1)C(=O)O 2153502880 WXXDOHGBGFCTAH-JTQLQIEISA-N 390.181 0.654 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)cc2N)C1 2168107428 KFUJHRHKGKNSDK-OLZOCXBDSA-N 396.469 0.789 30 10 GCEE C=CCC1(C(=O)O)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)C1 2180620168 XFCNMUQSKSMBKK-LBPRGKRZSA-N 379.417 0.870 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NC2CCN(CC#N)CC2)nn1 2181143714 LHDNTOQGPGXMOA-UHFFFAOYSA-N 377.449 0.407 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2181147405 ROZWVRGLEHBGHX-HNAYVOBHSA-N 378.473 0.947 30 10 GCEE C[C@@H](C#N)N1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)CC1 2181147968 PCKXKJCUPBAQFY-ZFWWWQNUSA-N 376.461 0.902 30 10 GCEE C=C1CC(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)(C(=O)O)C1 2197461969 RPGARVBEXUEEQE-SGTLLEGYSA-N 384.429 0.256 30 10 GCEE C#CCCN1CCC[C@H](NC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2204042841 ZYNGXKAYCYCFFQ-GJZGRUSLSA-N 383.464 0.910 30 10 GCEE COc1ccc(NS(=O)(=O)c2nc[nH]n2)c(B2OC(C)(C)C(C)(C)O2)c1 2237319600 CMLUDFIQOFVDHU-UHFFFAOYSA-N 380.235 0.913 30 10 GCEE C=C[C@H]1COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249439591 YPFDEOQVZJETHR-LSDHHAIUSA-N 398.437 0.583 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CC1)OCCO2 2255876048 JMRKYEUKRQHJHG-UHFFFAOYSA-N 378.238 0.093 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(F)(F)CN)OC1(C)C 2255953577 KUDTYNQSHDJCQN-UHFFFAOYSA-N 382.263 0.920 30 10 GCEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H](C)S(C)(=O)=O 2266996158 FZECSYWCPPXGBS-UWVGGRQHSA-N 388.320 0.994 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cnsn2)n1 2267706987 JIBQSKGQOVJOKO-UHFFFAOYSA-N 385.280 0.049 30 10 GCEE CC1(C)OB(c2cnccc2C(=O)NCCCCS(N)(=O)=O)OC1(C)C 2281795457 PPQZLVMHNUABGX-UHFFFAOYSA-N 383.279 0.179 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CNC3(CC3)CO2)OC1(C)C 2281998235 MAFDSPBGXLJFDY-NSHDSACASA-N 379.291 0.693 30 10 GCEE COCCN1CC[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282018715 AYTMSPTWPUMSET-GFCCVEGCSA-N 381.307 0.893 30 10 GCEE Cc1nc(C(=O)N2C[C@H](O)[C@H](O)[C@H]2CF)c(B2OC(C)(C)C(C)(C)O2)s1 2282024205 XVDGFNXKJCPFQA-JFGNBEQYSA-N 386.254 0.266 30 10 GCEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCS(=O)(=O)NC 2282128402 KMUSNSWILXQJFT-UHFFFAOYSA-N 385.295 0.086 30 10 GCEE CO[C@H]1CC(=O)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282331038 IUMZKROUAMHUPV-ZDUSSCGKSA-N 381.259 0.922 30 10 GCEE CO[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282344687 MAPQQYROIZPAJJ-QWHCGFSZSA-N 385.295 0.565 30 10 GCEE CN(C)C1CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282346245 MNLWUUDWXOXKKB-UHFFFAOYSA-N 381.307 0.752 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCS[C@@H]3CC[C@@H]32)n1 2282493815 YCDJFMCPFDDIFC-QWHCGFSZSA-N 399.347 0.988 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CCO[C@@H]3C[C@@H](O)C[C@@H]32)OC1(C)C 2282513794 VAVVTMCSRGBAOZ-SDDRHHMPSA-N 380.275 0.807 30 10 GCEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@]3(CN)CO)c2)OC1(C)C 2282591424 PUHACFXFRPBEHI-KRWDZBQOSA-N 382.291 0.210 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](CCO)C2)n1 2282839110 ZAXLOJFXHMYHGX-TXEJJXNPSA-N 385.295 0.159 30 10 GCEE CC[C@@H](C)N(CCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282847637 BORMAVZZOODEJJ-GFCCVEGCSA-N 387.311 0.501 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](CCN)C1 2282849976 JMGRZTABDBXHHM-GFCCVEGCSA-N 384.311 0.079 30 10 GCEE CCNC(=O)CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282851039 WQVUBEVATOLMPK-UHFFFAOYSA-N 383.279 0.185 30 10 GCEE C=C(CS(=O)(=O)N1C[C@@](C)(CO)[C@](C)(CO)C1)B1OC(C)(C)C(C)(C)O1 2282871223 CYRMFONLKCZFTN-IRXDYDNUSA-N 389.323 0.817 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NCc2n[nH]cc2C(=O)O)OC1(C)C 2284384862 KXMQEMCBWSUFFW-UHFFFAOYSA-N 378.219 0.794 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2CCOC[C@H]2CC(=O)O)OC1(C)C 2284446039 RBEWIWVSHMZMAK-SNVBAGLBSA-N 382.247 0.758 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N[C@]23CO[C@](C(=O)O)(C2)C3)OC1(C)C 2284463950 CKJPPLYRUFCHTB-WKILWMFISA-N 380.231 0.558 30 10 GCEE CC1(C)OB(c2ccc(CNC(=O)C3CS(=O)(=O)C3)c(F)c2)OC1(C)C 2285156504 RFZCMGMHLXVFTJ-UHFFFAOYSA-N 383.250 0.786 30 10 GCEE CNC[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2286315218 HAAMHNRVDZKILN-QGZVFWFLSA-N 381.307 0.629 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)C#Cc1cnn(C2CC2)c1 2340489754 OLCAALJIBVSQOV-GJZGRUSLSA-N 383.470 0.868 30 10 GCEE C[C@H](C#CC(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2)NC(=O)OC(C)(C)C 2341224583 KVVSXLGQRUGJIF-OLZOCXBDSA-N 385.486 0.715 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C[C@@H](O)C#C[C@@H]2[C@@H]3COC[C@@H]32)C1 2342530230 UTYWYQSZKXYUKH-NPJQDHAYSA-N 385.482 0.667 30 10 GCEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2352141101 PYFAHPNFXFKUFY-MGPQQGTHSA-N 392.518 0.302 30 10 GCEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H](O)[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359278133 XWCKPEBBTRZWTK-HBNTYKKESA-N 381.669 0.968 30 10 GCEE COC[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2361725068 ANJONNUKQGFPQU-QMMMGPOBSA-N 378.160 0.421 30 10 GCEE COCC[C@@]1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCNC1 2362572322 ZAYFLJBSMUXIHQ-KRWDZBQOSA-N 381.307 0.941 30 10 GCEE COc1[nH]c(=N[C@@H]2C[P@](C)(=O)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2365346720 YHMYXNWCFHCFRW-DDDOEAIBSA-N 382.206 0.959 30 10 GCEE Cn1cc(C(=O)NC[C@@]2(O)CCCSC2)nc1B1OC(C)(C)C(C)(C)O1 2369645116 RJEWXRVJCGMVOS-KRWDZBQOSA-N 381.307 0.707 30 10 GCEE C=CCNS(=O)(=O)c1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1OCC 32525039 FLTFIZJRYXOVGM-LLVKDONJSA-N 388.467 0.862 30 10 GCEE C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C(=O)O)[C@H]1CC[C@]2(O)C(=O)CO 59561369 JKOMNQRESQIIQG-GMSDTWOGSA-N 390.432 0.622 30 10 GCEE COCCN1CCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 69504291 CQJHLGSADNQNSF-QGZVFWFLSA-N 379.482 0.700 30 10 GCEE N#C[C@H]1C(=O)N=C2NC(N3CCC(C(N)=O)CC3)=NC(O)=C2[C@@H]1c1ccncc1 72443810 DHGAEXJPXKWDBZ-CHWSQXEVSA-N 393.407 0.170 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)cc1 117849019 CKRSMKJIZNCGSQ-QGZVFWFLSA-N 391.497 0.917 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)o1 124441341 JJKZGLAQNNFLRF-UHFFFAOYSA-N 384.425 0.919 30 10 GCEE 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771542045 LPAUWQFXKUWBGF-GFCCVEGCSA-N 391.432 0.660 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(O)c2Br)CC1 772229537 HYMYPIZSGHGVNX-UHFFFAOYSA-N 395.257 0.447 30 10 GCEE C#CCN(C(=O)NCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 774171572 RGUWXNFKULLUPG-GOSISDBHSA-N 375.494 0.877 30 10 GCEE C#CCN(C(=O)Nc1cc([C@H]2CCCOC2)nn1C)[C@@H]1CCS(=O)(=O)C1 790551894 QUJKFNBXLYMRHP-UONOGXRCSA-N 380.470 0.968 30 10 GCEE COc1nccnc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 793014840 DWQKRJYHJBDJPR-UHFFFAOYSA-N 391.457 0.262 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)c1 819944791 DJFYCJLZJNJCDA-UHFFFAOYSA-N 388.453 0.318 30 10 GCEE C#CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 844045126 APHBQVVCLFFWMO-YESZJQIVSA-N 380.510 0.968 30 10 GCEE C#C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 848290005 WZMDYTZJRHMBTJ-AWEZNQCLSA-N 377.466 0.539 30 10 GCEE CCn1c(N)c(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c(O)nc1=O 852325145 FGOFSQJUOSOASD-IBGZPJMESA-N 382.424 0.686 30 10 GCEE C#C[C@@H](NC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1)C1CCOCC1 852640957 JWNJGZQRUSAVFY-WZQKQDCOSA-N 384.498 0.901 30 10 GCEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854591257 RYAYBKAVRJNYDA-LBPRGKRZSA-N 385.467 0.595 30 10 GCEE Cn1cc(C(=O)N[C@H]2CCCN(O)C2=O)c(CN2C(=O)c3ccccc3C2=O)n1 854649231 SRMHEAZWAHWFPK-AWEZNQCLSA-N 397.391 0.326 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 861818108 XUICTLWQRBTSLE-HNNXBMFYSA-N 376.434 0.867 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 863484133 UTEGGQLUNPGKEH-HNNXBMFYSA-N 379.457 0.740 30 10 GCEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 875386367 NUYWNTUVQXOYEX-YHUYYLMFSA-N 382.457 0.463 30 10 GCEE CN(C)[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccsc1 914074342 CSTXNJIAICDGEE-IJEWVQPXSA-N 382.511 0.931 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 927643523 JGRIJXRPUONNBD-NVXWUHKLSA-N 399.499 0.822 30 10 GCEE CO[C@]1(C)C[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1117358851 CPTBVPHNCJFVSL-VPPMAFANSA-N 392.456 0.291 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 1118404922 IAOUOPZVSNEHIZ-CYBMUJFWSA-N 383.495 0.357 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)CCN1C1CC1 1119115225 GLXIMDNVWPNBJG-IAGOWNOFSA-N 385.468 0.731 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 1120483225 ZEKRWGRJMYRLEZ-GJZGRUSLSA-N 393.484 0.877 30 10 GCEE C#CCN(C(=O)c1cc2c(cc1Cl)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 1120592629 LEIJHMSFQJBIOF-SNVBAGLBSA-N 382.825 0.933 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cnc(C(F)F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1120867335 GOAGEBJODAWCEQ-LBPRGKRZSA-N 385.392 0.915 30 10 GCEE C=C(C)Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1122514698 VHMNKJGHTVFHQJ-KFWWJZLASA-N 393.513 0.719 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cn2cc(CCCO)nn2)n1C[C@H]1CCCCO1 1123305814 MGOIDBXEJIHNBI-NVXWUHKLSA-N 387.488 0.870 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)nc1 1143528200 IUSUQUPWUJPYRW-DLBZAZTESA-N 393.451 0.468 30 10 GCEE CC1(C)[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1N1CCOCC1 1164314652 WIBAMXDSBVRPPM-WTIYMYMHSA-N 376.457 0.518 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)nn1 1261473328 HAMMATKDZSAWNF-ZFWWWQNUSA-N 391.472 0.907 30 10 GCEE C=CCn1c(-c2coc(CO)c2)nnc1N1CCN(C(COC)COC)CC1 1262942041 CZCASRWZZVCIKY-UHFFFAOYSA-N 391.472 1.000 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2COCCO2)CC1 1286481574 GBPUPKZLXKVHOV-SFHVURJKSA-N 382.468 0.435 30 10 GCEE Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@@H]2O)cn1 1289751874 OHJOOTYBGULATR-NMLBUPMWSA-N 392.459 0.653 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 1296521511 WCRBCHJUVCPVIH-WBIUFABUSA-N 379.413 0.849 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1300538808 VLRHJZYGFRASDE-XHSDSOJGSA-N 391.497 0.340 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1301297092 LXVWFWDWNCJGIJ-CYBMUJFWSA-N 390.469 0.345 30 10 GCEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCCn2cc(CO)nn2)c1 1302988846 DKPBDUJAIZSISI-UHFFFAOYSA-N 394.439 0.827 30 10 GCEE C#CC1(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 1303026677 GJQGDHYUILCTII-UHFFFAOYSA-N 384.479 0.431 30 10 GCEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)[C@@H]1CCCO1 1311097966 RDZOIQTZGYKWDZ-HIFRSBDPSA-N 389.408 0.900 30 10 GCEE O=C1CC[C@](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)(c2ccccc2)CN1 1324347326 ARGCAOHTANVTMQ-CECJQHFESA-N 382.420 0.477 30 10 GCEE CCc1nsc(N2CCCN(C(=O)C(=O)NCC3(CC#N)CC3)CC2)n1 1324836941 CENZRRJVGRHNFF-UHFFFAOYSA-N 376.486 0.949 30 10 GCEE C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1325315106 HVISUDCZUAFBCK-XNGJBWTFSA-N 386.452 0.989 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N2CCCCCCNC(=O)CC2)CCN1C1CC1 1332073357 COGIEDKIVWCZCV-MRXNPFEDSA-N 375.473 0.094 30 10 GCEE C=CCN(CC=C)C(=O)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 1332325737 IJZUXCODRLXXNV-IXDOHACOSA-N 377.485 0.845 30 10 GCEE COC(=O)c1ccc(CCNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 1332444974 RZJJPGGMTMSOIA-QGZVFWFLSA-N 384.436 0.331 30 10 GCEE C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1332618385 CBXZZZZFGWKGJG-KRWDZBQOSA-N 380.533 0.618 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 1332701454 ORZMXCLNZDSBTM-UYLCUJDWSA-N 383.448 0.218 30 10 GCEE COc1ccc(CNC(=O)C(=O)NCC[S@](=O)CC(F)(F)F)cc1C#N 1333819693 SNGLZXGGTZFQFV-SANMLTNESA-N 391.371 0.610 30 10 GCEE C#CCN1CCC(NC(=O)C(=O)Nc2cc(N3CCOCC3)ccc2C)CC1 1337055987 CCVNIOMWELEXFN-UHFFFAOYSA-N 384.480 0.984 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1338037629 QRJYIUDGBDOAHW-LJQANCHMSA-N 394.475 0.600 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1338993872 WUASXRBDDCSLQN-OLZOCXBDSA-N 399.542 0.252 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CC[C@](OC)(C(=O)OC)C2)n1CCOC 1341576654 VLQJDGXFWXCDAS-HNAYVOBHSA-N 391.472 0.463 30 10 GCEE CNS(=O)(=O)c1ccc([C@@H](C)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1341690627 CPYUUFIBQFMSSG-WGKGOADCSA-N 378.454 0.772 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 1345496821 JSMQSKBJYUOXOF-GOSISDBHSA-N 386.448 0.670 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)O)n2C[C@@H]2CCCO2)CC1 1345679883 ILFBRADCDPPTCN-INIZCTEOSA-N 389.500 0.736 30 10 GCEE C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1346102321 WJWGGPJMWSSOMT-MXASKKJJSA-N 377.485 0.998 30 10 GCEE C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCC(C(C)=O)CC1 1346604176 PJNKRZLLWZMTDK-UHFFFAOYSA-N 386.456 0.724 30 10 GCEE C=CCn1c(N2CCN(CCc3cnccn3)CC2)nnc1[C@]1(C)CNC(=O)C1 1351552694 KFLJCXIJZAEEGV-FQEVSTJZSA-N 396.499 0.396 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CCC[C@H]2C=CCC2)CC1 1352610361 VROMCZOKBHPTLO-HNNXBMFYSA-N 379.490 0.009 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC1CC1 1359287823 YAKYNXWNCCCSDF-OAHLLOKOSA-N 399.517 0.660 30 10 GCEE C=C(C)C[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1455201423 DWKCATJOPHHTJD-GFCCVEGCSA-N 388.511 0.950 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)OC)c1 1471030517 MFPQCQONSINMJT-RDTXWAMCSA-N 396.465 0.944 30 10 GCEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)C1CCOCC1 1479008861 GMJXAFIXJGFRLU-KRWDZBQOSA-N 386.452 0.147 30 10 GCEE C=CCNC(=O)[C@@H](C)N1CC=C(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1486511819 YKVUISLYTJARLP-LAVFITLUSA-N 377.485 0.477 30 10 GCEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H](OC)C2)CCOCC1 1489546627 OQIADZWWYBLCOF-ZJPYXAASSA-N 390.480 0.740 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCN1CCOCC1 1489698941 MGRMAAZBBFTUPR-TVFCKZIOSA-N 379.501 0.843 30 10 GCEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCS1(=O)=O 1490609606 SJHUXYKXOCHIHR-FXUDXRNXSA-N 382.482 0.242 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C(N)=O)s1 1490610101 YMXWHQODXLXNCV-NDBYEHHHSA-N 375.450 0.747 30 10 GCEE 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N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)CC1 419724713 FGARYPUMTYWRQP-VXLLPVPCSA-N 383.452 0.580 30 10 GCEE CNC(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 420980044 UAQMLICCAWZXNS-FUHWJXTLSA-N 387.459 0.602 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H](N)[C@H]4C3)CC2)n1 423423922 DZGWUZSTFLSGSL-BHYGNILZSA-N 382.468 0.188 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N 451530106 GNFTWSYVCBSZGH-HNNXBMFYSA-N 389.474 0.931 30 10 GCEE COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)ccc1C#N 460602892 DNSJOOLGUDOZDQ-NSHDSACASA-N 377.426 0.284 30 10 GCEE CC[C@H](C(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549552268 QYAQKHHHBGSYEQ-AWEZNQCLSA-N 379.438 0.590 30 10 GCEE CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1=O 558281809 UWAPRDCYSQORIB-CQSZACIVSA-N 387.415 0.083 30 10 GCEE Cc1nccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 560312145 FPSDNOPBSGKRMC-KRWDZBQOSA-N 392.419 0.190 30 10 GCEE Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 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Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 594775713 HBFQDMKENLOSJD-UHFFFAOYSA-N 385.449 0.872 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 595157276 XULVXXKMUBKUGG-UHFFFAOYSA-N 387.465 0.102 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 595962190 YWKFVFNOOXJDDO-HEHGZKQESA-N 385.511 0.856 30 10 GCEE Cc1nsc(N2CCN(S(=O)(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1C#N 601416791 ZCDLBRWNAVKOMC-CYBMUJFWSA-N 395.510 0.538 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2CC2CC2)CC1 612887886 LUOIEOINCVKQHM-INIZCTEOSA-N 390.488 0.200 30 10 GCEE CCCS(=O)(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1 731904192 BVGLQSPYCDNPMY-UHFFFAOYSA-N 386.499 0.822 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 742065482 GXEIROUODAIQEN-SJORKVTESA-N 383.448 0.455 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1 746185636 OZXZQDRHXJRPHD-UHFFFAOYSA-N 380.470 0.303 30 10 GCEE C#CCN1CCC(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 772122069 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CO[C@@H]1C[C@@H]2CN(S(=O)(=O)N(C)C[C@H](C)C#N)Cc3cccnc3N2C1 867626590 QXWCPCXNCCJFOQ-FVQBIDKESA-N 379.486 0.827 30 10 GCEE C#CC1(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCCC1 883449604 ZXIKNTAPFBBCDI-UHFFFAOYSA-N 379.486 0.818 30 10 GCEE C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)C1 891169449 UQZGFDZHTOBPCZ-UHFFFAOYSA-N 393.440 0.983 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2nccc3c2CCCC3)c(=O)n1C1CC1 901840245 FCZBESPKAHOBIE-UHFFFAOYSA-N 380.473 0.768 30 10 GCEE C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 914357530 JMJWSUZSMQNTLR-ORDFZIBCSA-N 382.530 0.933 30 10 GCEE C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@@H](C)N1CC#N 922865782 JZELLDTWVMMEJI-HDICACEKSA-N 392.548 0.411 30 10 GCEE C#CCN(C(=O)C(=O)NCCN1CCc2ccccc2C1)C1CCN(C)CC1 929398056 IDJZOQLDSMLBNX-UHFFFAOYSA-N 382.508 0.717 30 10 GCEE N#CCN1CCC(NC(=O)C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 930032716 OFDCMLDFSJOIAW-CHWSQXEVSA-N 376.379 0.707 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CCN(C)C)c2cccnc2)C1=O 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384.479 0.276 30 10 GCEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)OCC 1213383248 NGXCJOBDPZUOPG-NSHDSACASA-N 377.850 0.737 30 10 GCEE N#Cc1cn(CCNC(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(=O)nc1O 1228617789 GLOZENWIBQSEDL-INIZCTEOSA-N 393.407 0.758 30 10 GCEE CCN(CCC#N)S(=O)(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1256594598 LWKICTKYLRCICR-INIZCTEOSA-N 379.442 0.311 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1261152778 SUPOJQVVKNAZBT-SJORKVTESA-N 391.493 0.586 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 1261560842 BHYCHGDVOBZXGU-GJZGRUSLSA-N 391.493 0.986 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1286447599 MYESLHRYRSIYMJ-RZFZLAGVSA-N 384.527 0.551 30 10 GCEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1288524334 BWOOFEPQBDHTHY-DVOMOZLQSA-N 399.542 0.787 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CNC(=O)CC)CC1 1299463970 IDGOVONIOHKXBN-SUFIHLRJSA-N 387.480 0.389 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1300457957 CINXRSAHOOWKHJ-AWEZNQCLSA-N 382.486 0.181 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)n1 1301272304 FKBVFCDQZBURHP-LBPRGKRZSA-N 382.494 0.272 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCOC1 1301589614 URBZMXQDJSJCMS-LSDHHAIUSA-N 384.502 0.856 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 1302876597 HSMYOBCNJBLDJP-HZPDHXFCSA-N 393.465 0.271 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C)c1 1303943278 DGNNFVBCHSCPMH-CYBMUJFWSA-N 386.495 0.800 30 10 GCEE N#Cc1c(N)sc2c1CCN(C(=O)CCNS(=O)(=O)c1cccnc1)C2 1304491826 SZKHLYLZEWUPQS-UHFFFAOYSA-N 391.478 0.850 30 10 GCEE COC(=O)[C@@H]1O[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C 1306893384 VPAKJENMTWIKOX-KCPJHIHWSA-N 390.392 0.857 30 10 GCEE C#CCN(C(=O)NCc1cnn(CC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1320032267 MKNBHLWRBMZMGE-LBPRGKRZSA-N 378.376 0.777 30 10 GCEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1323568130 HZTLPMWKKQDGMH-YWZLYKJASA-N 397.435 0.353 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 1324872009 XHANGMYIQJGGTJ-KRWDZBQOSA-N 387.436 0.480 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 1328597141 YEBCYTCOFDERJH-KRWDZBQOSA-N 387.411 0.407 30 10 GCEE CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2Cc3cccc(C#N)c3C2)n1 1328728864 AMQZCTCRJASRCU-UHFFFAOYSA-N 387.421 0.280 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@H]3[C@H]3CNC[C@@H]43)CC2)cn1 1329641951 DLWIIICUMZSKAO-FCLVOEFKSA-N 394.479 0.058 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)C1 1331432495 LAVVVCMZDOHHMX-CQSZACIVSA-N 379.457 0.329 30 10 GCEE C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1332493449 DLNVURJVZSQZBM-ZDUSSCGKSA-N 377.445 0.947 30 10 GCEE C#CCN(C(=O)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)C(C)C 1334415882 WBWHZBLIFUPHPW-UHFFFAOYSA-N 379.482 0.564 30 10 GCEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CCc3nnc(O)cc3C1)C2 1335086622 XLEQWVDRMXIRME-UHFFFAOYSA-N 377.404 0.718 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 1336186885 XANSJWOICXXQFF-GOSISDBHSA-N 380.445 0.237 30 10 GCEE C=CCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1339193997 ASFQXMUTOBSACV-DNVCBOLYSA-N 389.504 0.370 30 10 GCEE C=CCn1c(CC[C@]2(C)NC(=O)NC2=O)nnc1N1CC[C@@H]2[C@H](CCN2C)C1 1340637493 VPAXEWSLRRFTOW-LPMFXHHGSA-N 387.488 0.525 30 10 GCEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccnn3c2=O)n1CCCOCC 1343082304 SWCZVJSVCSYCJN-UHFFFAOYSA-N 379.424 0.781 30 10 GCEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1343287583 KIETZCTZGHLUSW-BEFAXECRSA-N 392.504 0.061 30 10 GCEE C=C(C)Cn1c(Cn2cc(CCCO)nn2)nnc1N(C)C[C@@H]1CCOC1 1343879553 OTSIYQABBUDWMH-HNNXBMFYSA-N 375.477 0.892 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C(=O)N(C)C)CC2)n1C[C@@H]1CCCCO1 1345805006 INDKGEWXXPAFKZ-GJZGRUSLSA-N 378.477 0.870 30 10 GCEE C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCNC1=O 1346902035 UUZCROSZDBRRIB-FZKCQIBNSA-N 378.473 0.631 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359474508 SNVJWMQQURBTMH-MELADBBJSA-N 383.474 0.191 30 10 GCEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 1438603862 UEICMFGJHNPORQ-UHFFFAOYSA-N 379.438 0.928 30 10 GCEE CCn1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnc1Br 1443536958 NQIFYMNEOHBLDB-QBFSEMIESA-N 382.218 0.922 30 10 GCEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1Cc1ccccc1 1463001338 ZUAXGHDWSJYSMZ-KXBFYZLASA-N 399.476 0.899 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CNC(=O)NC)c1 1471410804 WHDBNJDPUORDJH-OAHLLOKOSA-N 393.465 0.254 30 10 GCEE CC(C)n1cc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c(O)nc1=O 1471622529 IIZZJRDRWDJLQV-UHFFFAOYSA-N 397.439 0.828 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)Cc2cccc(Cl)c2)C1=O 1471693855 KHFANCJLYLMDRN-CYBMUJFWSA-N 379.800 0.336 30 10 GCEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(=O)NCC3CC3)CC2)c1C#N 1492726938 BPRKPOJYQRPVFC-UHFFFAOYSA-N 397.487 0.353 30 10 GCEE C#CCN(c1nnc(C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507626313 NLUYQJVXQVYHDP-MRXNPFEDSA-N 389.481 0.269 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1508057616 GQJHONHSJWHGAC-HNNXBMFYSA-N 388.472 0.490 30 10 GCEE C=CCOCc1nnc(N2C[C@H](C)O[C@H](C(=O)OC)C2)n1C[C@H]1CCCO1 1525246235 ISXMFMHJBOCROS-ZNMIVQPWSA-N 380.445 0.926 30 10 GCEE COc1ccc2c(c1)OC[C@H](C(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1538308742 RNJQMQBGQGZZJW-GLJUWKHASA-N 376.434 0.643 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1539221304 ZHDMTCRFHUFVAS-WBVHZDCISA-N 391.541 0.952 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540868604 LGYSVDMGQXXWKE-IFXJQAMLSA-N 399.455 0.422 30 10 GCEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)N1CCOCC1 1541634438 IELCMTXICLHVLV-HUUCEWRRSA-N 377.493 0.875 30 10 GCEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555486721 KDHBBWVDDLLPBY-OAHLLOKOSA-N 375.477 0.629 30 10 GCEE C#CCC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1558102961 PLPFDTPJLKMRJS-OCCSQVGLSA-N 386.495 0.153 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(F)cc2)C1 1572850492 LDNAQDVIHYAOOU-TVFCKZIOSA-N 392.427 0.874 30 10 GCEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588049504 HJBUBRDXTITFTD-AEGPPILISA-N 392.460 0.836 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(C)C)CC1 1588806650 YLNPCNKIFGWVKN-QGZVFWFLSA-N 387.532 0.715 30 10 GCEE CCN(C)C(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1615090915 IMXXEFDHAOSRFO-SUMWQHHRSA-N 382.440 0.922 30 10 GCEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC#N)C(F)(F)F 1616997926 JUDMUEJHBTURFP-GFCCVEGCSA-N 394.375 0.620 30 10 GCEE N#Cc1cn(CC(=O)N2CCCN(CCCc3ccccc3)CC2)c(=O)nc1O 1631932097 DUUNFDZEBFMPKB-UHFFFAOYSA-N 395.463 0.988 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)[C@@H](O)c3ccccn3)CC2=O)cc1 1631945203 SPVLVPJDXFYPMP-BJZITVGISA-N 380.404 0.517 30 10 GCEE CCO[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)CN(C)C 1644324535 VNGXAOQAHRRNFE-CYBMUJFWSA-N 382.486 0.198 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCO[C@](C)(C#N)C1 1647990568 CVFIFFUWHGIXKZ-BLLLJJGKSA-N 389.474 0.455 30 10 GCEE N#C[C@H]1C(CN2CC[C@@H](CS(N)(=O)=O)C2)=CC(=O)n2c1nc1ccccc12 1656342976 FZJJROFVARKRMP-OCCSQVGLSA-N 385.449 0.834 30 10 GCEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](CO)CN1CCOCC1 1656472461 AONMVFKJKJOHBN-ZDUSSCGKSA-N 393.387 0.548 30 10 GCEE CC#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1662447477 BWNZAWKLYXDKFK-XLAORIBOSA-N 377.485 0.006 30 10 GCEE N#C[C@]12CN(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)C[C@H]1CS(=O)(=O)C2 1676450205 FZGLFRAYYPLSNF-OFQRWUPVSA-N 383.470 0.294 30 10 GCEE COc1ccc(OC)c(CCNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1683041421 AHHOBXXNIULYFV-UHFFFAOYSA-N 387.396 0.380 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 1683864616 CEJHPJCZJRIIOW-TWMKSMIVSA-N 375.469 0.553 30 10 GCEE 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30 10 GCEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 787787622 MZXLPCYGDROOOT-LBPRGKRZSA-N 383.456 0.579 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)n1 789793950 UDKWKCQWYZQZQC-UHFFFAOYSA-N 393.407 0.479 30 10 GCEE Cc1nnc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1C1CC1 795326659 BOWDBXMXTKURSP-UHFFFAOYSA-N 375.410 0.815 30 10 GCEE CCCCNC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 813644185 HLDBIDDYJILMKF-UHFFFAOYSA-N 379.486 0.484 30 10 GCEE COc1ccc(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)cn1 814839830 XSGNHQGCSGHRPK-UHFFFAOYSA-N 383.459 0.262 30 10 GCEE C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 817114691 JEKQQHZMSXYWJU-SJORKVTESA-N 395.415 0.015 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2nc(S(C)(=O)=O)n[nH]2)CC1 848370033 WZYLZSGYYZFBIC-UHFFFAOYSA-N 397.457 0.797 30 10 GCEE C#C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C1CCOCC1 851829246 JJJFLKJDNABKHA-CQSZACIVSA-N 375.443 0.936 30 10 GCEE C[C@H](C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)n1cnc(C#N)n1 855883638 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30 10 GCEE C=CCn1cc(C(=O)NC[C@@H](CC)NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1582450087 UJBJDVFSPACDIT-KNCOVGOOSA-N 377.445 0.140 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 1584999921 FMPFIINUHLNODT-UHFFFAOYSA-N 397.479 0.215 30 10 GCEE CCn1cncc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1=O 1587015713 IFDNYHXRUDEOBS-CQSZACIVSA-N 394.391 0.979 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N(C)C)CCOCC1 1588124581 NRBONLSQOIGSRE-UHFFFAOYSA-N 379.468 0.919 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cnnn2C)CC1 1588924228 XSYIFPVHYPQWMH-UHFFFAOYSA-N 382.472 0.688 30 10 GCEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1593691084 QRRYUFNSEZIHTL-KKUMJFAQSA-N 376.461 0.792 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(OC)CC1 1595537623 UIYCOSVBAOMBGD-LIRRHRJNSA-N 390.488 0.927 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(S(C)(=O)=O)C2)s1 1626522859 DQRVRPUMNQUSPG-UHFFFAOYSA-N 378.497 0.010 30 10 GCEE C=C(CO)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 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384.480 0.917 30 10 GCEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1689860484 ATBJRGMRKPTFCF-INIZCTEOSA-N 388.516 0.969 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1690015235 FMTHZGYFTOFUEW-DLBZAZTESA-N 384.484 0.149 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690667187 SZRJDMFAQKCHJT-OAHLLOKOSA-N 379.424 0.431 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1691003103 CDBGPJPWQYFBDY-OCDDVZBJSA-N 399.542 0.687 30 10 GCEE C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 1705364297 LMZGHYIDDXEZOP-FPCVCCKLSA-N 383.452 0.087 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C)n(C)c2=O)CC1 1705650773 YYVLFPMOTJREMV-UHFFFAOYSA-N 396.495 0.862 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705900218 UUUWXHWPIBNKEL-LJQANCHMSA-N 399.455 0.617 30 10 GCEE CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1706620779 XEUKWOHGRKERNS-LBPRGKRZSA-N 385.428 0.596 30 10 GCEE 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Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cc1 370993194 PSAMJLHXCBEQIG-UTKZUKDTSA-N 395.463 0.961 30 10 GCEE N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)ccc1F 371568673 AOAMRDCXHOMKGX-UHFFFAOYSA-N 387.458 0.932 30 10 GCEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CNS(C)(=O)=O 404934104 BQUJTHVLWQVJRQ-UHFFFAOYSA-N 388.320 0.555 30 10 GCEE C[C@H](O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 414571580 PDYWDRZQWKOPOF-MAUKXSAKSA-N 388.468 0.057 30 10 GCEE CN1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 422486799 ICZAGKQTHBADOU-MRXNPFEDSA-N 384.484 0.450 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 425872813 ZZVFABWLTKGPGL-ZLDLUXBVSA-N 381.454 0.219 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cc1 442313907 ZLCVLLQPTIHHOX-KBXIAJHMSA-N 385.376 0.448 30 10 GCEE C=C(C)CS(=O)(=O)N1C[C@H](C(=O)OC)N(S(=O)(=O)CC(=C)C)C[C@H]1C 451920014 VITLALDOKLCLQF-ZIAGYGMSSA-N 394.515 0.346 30 10 GCEE C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 453464405 RDYNJFXPFDWWBA-LBPRGKRZSA-N 394.505 0.428 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)Cn3ccnn3)CC2=O)cc1Cl 458151664 WUMJKEDALAVOFI-GXTWGEPZSA-N 388.815 0.333 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 480487998 PDZIDADMMSTQFQ-OBJOEFQTSA-N 378.454 0.337 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2)CC1 491152783 ARIJZMJRTOWSES-UHFFFAOYSA-N 396.394 0.673 30 10 GCEE CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509726762 XKBVGNSVEOAPKF-CQSZACIVSA-N 383.408 0.500 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 518638059 PRHFVSDYTLGEFK-LJQANCHMSA-N 385.512 0.740 30 10 GCEE CN(C)S(=O)(=O)N1CCCN(C[C@@H](O)COc2ccccc2C#N)CC1 528507914 KPDCOWXDYCFLNH-MRXNPFEDSA-N 382.486 0.112 30 10 GCEE COc1ccc2c(c1)C[C@H](C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CO2 530264827 DLDJDNPOCVYICO-LBPRGKRZSA-N 382.376 0.464 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1 533572784 BWMQUHMLDXCXRB-CYBMUJFWSA-N 376.442 0.684 30 10 GCEE CCS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 534698625 YJWGBSVPSLBHQY-ZDUSSCGKSA-N 382.467 0.338 30 10 GCEE C=CC[C@@H](CO)CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 537121974 WDBVBRKRTRSYEN-CQSZACIVSA-N 384.502 0.728 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)n1 542073956 IMCAYYDVQSPBAF-QGZVFWFLSA-N 389.799 0.603 30 10 GCEE Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1=O 543055436 RTIRGUXQUYHSIR-OAHLLOKOSA-N 398.398 0.677 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3F)CC2)n1 545490967 WUZYRLOQTIGYCE-UHFFFAOYSA-N 389.412 0.702 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 545544240 LHIIKERCFYXKIO-UHFFFAOYSA-N 394.391 0.940 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cccc(Cl)c2)CC1 550434189 CACJQZZJLSXZQB-UHFFFAOYSA-N 392.887 0.445 30 10 GCEE CC[C@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 570463639 BIJUTVWNWSVTJO-GFCCVEGCSA-N 375.472 0.222 30 10 GCEE COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(C(=O)CC#N)CC1 580657329 MNVSSXHYMOIOHN-MRXNPFEDSA-N 375.425 0.695 30 10 GCEE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 582874165 DLEJPSQVRGEPNT-UHFFFAOYSA-N 390.462 0.200 30 10 GCEE C[C@H](NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 587675126 VDDYCGCZCBJKGC-HNNXBMFYSA-N 385.468 0.358 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCCO3)C2)c1 600761840 SEQQUTTYXRDBKM-ZDUSSCGKSA-N 399.494 0.821 30 10 GCEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CC(N)=O)C1 624830386 GRFSPJGRVVGGKX-OAHLLOKOSA-N 395.427 0.187 30 10 GCEE C=CCOc1ccccc1CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 636767681 TXLICBQOBSLGHT-HNNXBMFYSA-N 383.470 0.711 30 10 GCEE CC[S@](=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733962038 YCDCVBOLXHHULI-VWLOTQADSA-N 397.522 0.844 30 10 GCEE CC1(C)NC(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O 751622280 KGQMHQHPKLFXQG-SNVBAGLBSA-N 376.394 0.599 30 10 GCEE C#CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 771761726 AWIPGFWHBFSGHV-MSOLQXFVSA-N 377.510 0.528 30 10 GCEE CC#CCCNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 776137435 XIARLGGATZSRSF-UHFFFAOYSA-N 380.250 0.624 30 10 GCEE COc1ccc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1C#N 788239992 CAZANIAVXINFLG-GOSISDBHSA-N 376.482 0.737 30 10 GCEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 793154093 PMWOCXOLOIFMAM-OAHLLOKOSA-N 398.506 0.128 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CCCO1 809313627 UBBLAFLBHYQVLB-ROUUACIJSA-N 390.528 0.350 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(OC)c(Br)c2)CC1 819238137 BACYGJOLHDWUDC-UHFFFAOYSA-N 395.257 0.360 30 10 GCEE C[C@H](CC(=O)OC[C@@]1(C)CCC(=O)NC1)/N=C1/NS(=O)(=O)c2ccccc21 842420555 UFDQERIZEFWMBK-XIKOKIGWSA-N 393.465 0.963 30 10 GCEE C[C@H](O)C(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 847633787 UZEIDNILFGLRSP-HNNXBMFYSA-N 393.484 0.689 30 10 GCEE N#CCc1ccc(NC(=O)COC(=O)CC2(n3cnnn3)CCOCC2)cc1 850231894 PSMKYFKFRQRIDZ-UHFFFAOYSA-N 384.396 0.817 30 10 GCEE COC[C@H](CS(=O)(=O)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)OC 853205779 HOBYRXJASIGDSD-CVEARBPZSA-N 381.454 0.634 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CCCN(C)C)C2)cc1 856427808 GJVFPDAOALBYHW-KRWDZBQOSA-N 393.509 0.781 30 10 GCEE C#CCN(CC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)C(=O)OC(C)(C)C 856442884 ZFNMOGOEEHRAIF-UHFFFAOYSA-N 399.444 0.960 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 859427525 GHPAEBPEJWNAFK-JTQLQIEISA-N 381.376 0.634 30 10 GCEE C#CC[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 862560708 VHSXXPGSTBFYAH-GFCCVEGCSA-N 380.426 0.916 30 10 GCEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(NS(N)(=O)=O)CC1 863344112 CDNIKHSRGWLKNC-UHFFFAOYSA-N 377.426 0.648 30 10 GCEE C=C(CCN(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 900031869 FJRLWFSPXYIYRB-UHFFFAOYSA-N 375.498 0.908 30 10 GCEE CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)N(CC#N)[C@H](C)C2)[C@H]1c1ccnn1C 911697489 JJVMOTNZEWXKRP-NONVJHHQSA-N 388.472 0.153 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)C1=O 912177021 FODJVWKERVHUFH-DLBZAZTESA-N 399.447 0.948 30 10 GCEE N#Cc1cnc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(Cl)c1 913128178 RAMMLEFSXQRWBX-CYBMUJFWSA-N 382.873 0.942 30 10 GCEE N#CCc1ccccc1S(=O)(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 918119680 JUQMFTVOOAJEOH-MRXNPFEDSA-N 397.522 0.636 30 10 GCEE C#CCN(C(=O)C(=O)NCCN1CCc2sccc2C1)C1CCN(C)CC1 929666699 DHIRKAPHIVMKCL-UHFFFAOYSA-N 388.537 0.778 30 10 GCEE COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1117634929 GQXQSXIZOSILET-NEPJUHHUSA-N 382.380 0.535 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1117951034 JZJVHWPTAIZFND-HZPDHXFCSA-N 399.451 0.449 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1118773656 ALGNAJHAJDKBLS-VZCCSQPZSA-N 391.468 0.977 30 10 GCEE C=CCS(=O)(=O)CCn1nnnc1N1C[C@H](CC(F)(F)F)O[C@H](C)C1 1120106687 NWRXLGAGQQUGPU-MNOVXSKESA-N 383.396 0.820 30 10 GCEE C=C(C)Cn1c(N2C[C@H]3CN(C(C)=O)C[C@H]3C2)nnc1[C@]1(C)C[C@H](O)CN1C 1122481471 DKYNNNMNLRWUQM-CLWJZODNSA-N 388.516 0.680 30 10 GCEE C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 1141995488 QWHRYVADSPIFFG-LURJTMIESA-N 395.256 0.453 30 10 GCEE N#Cc1cn(CC(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(=O)nc1O 1144756978 REDDRBJETHTDSL-GOSISDBHSA-N 388.811 0.984 30 10 GCEE COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1151737926 FHHKZESUASDDLH-HNNXBMFYSA-N 398.412 0.509 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc3n2CCOC3)cc1 1158744698 CAKQOGMECVZXCP-UHFFFAOYSA-N 376.438 0.808 30 10 GCEE C#C[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)c1ccc(Br)cc1 1159634732 RBWIIBUGIDACND-NSHDSACASA-N 383.227 0.924 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](COC)c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 1259179717 YVSVBJSFQZEPBB-KBPBESRZSA-N 382.438 0.041 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(C)(C)CN(C)C)CC2)C1=O 1262173893 XDAZFGBUAJWQTC-UHFFFAOYSA-N 378.473 0.790 30 10 GCEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCOC)CCOC1 1296665506 XFJIZYQTNQINPP-MAUKXSAKSA-N 395.460 0.322 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCC(=O)NCC#N)CCC2)C1 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Cn1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 597572312 PFRHOGISTJTBTB-UHFFFAOYSA-N 389.437 0.866 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1 600039983 MRTAAILBWGCWJE-GOSISDBHSA-N 375.381 0.686 30 10 GCEE C[C@@]12CNC[C@]1(C)CN(C(=O)C(=O)N1CCC(C#N)(c3ccccn3)CC1)C2 600795896 BYTDXVDTIJZSGA-BGYRXZFFSA-N 381.480 0.923 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)COC)CC3)cc2C1=O 611924556 YLDZMMNDOBNKEV-UHFFFAOYSA-N 385.420 0.836 30 10 GCEE CCc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 617091853 DEHQGWGGPCBWCO-HNNXBMFYSA-N 381.392 0.964 30 10 GCEE C=CCC[C@@H](NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)c1ccccc1 636782498 TWUXCAYWWCOELH-MRXNPFEDSA-N 394.497 0.417 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2c(C(F)(F)F)cnn2C)CC1 637342203 FVQMHHNMUUVBAP-UHFFFAOYSA-N 388.394 0.568 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CCC)c2ccccn2)CC1 672290996 PASPHSUNQIVAGK-QGZVFWFLSA-N 387.484 0.485 30 10 GCEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C#N 675033600 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C[C@H](CC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 863731876 CSZIVEDQVZMPLP-DMVWFOPNSA-N 377.466 0.876 30 10 GCEE C=CCNC(=O)NC(=O)CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 880501593 LXJOPXQIWBCEGK-FQEVSTJZSA-N 386.452 0.502 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)C1=O 882685295 JTEQCFFOPWTPQU-GJZGRUSLSA-N 385.424 0.634 30 10 GCEE C=C1[C@@H](C(=O)N[C@@H]2CCc3cncn3C2)[C@H]1C(=O)N[C@@H]1CCc2cncn2C1 908133884 KINQKHAMTLRSFA-DTDBQYNISA-N 380.452 0.444 30 10 GCEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 908665954 XSBWLEITJVEWPU-LBPRGKRZSA-N 395.876 0.518 30 10 GCEE C#CCN(C(=O)NCC1(N2CCOCC2)CCOCC1)C1CCN(C)CC1 922835373 VMVIUHMGQOVPTM-UHFFFAOYSA-N 378.517 0.607 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1=O 935798184 PSMKBMGJWMFRAV-ZIAGYGMSSA-N 394.472 0.309 30 10 GCEE C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@H](OC)C2)CC1 942008308 SEHAPJQQWUACEA-NXWXRZEISA-N 390.528 0.014 30 10 GCEE C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 1119863916 LMDSCHBKAKYUHE-GFCCVEGCSA-N 381.454 0.955 30 10 GCEE C=CCn1c(N2CC[C@H](N(C)C(=O)N(C)C)C2)nnc1[C@@]1(C)CNC(=O)C1 1121497719 VBUDUBHJPNMKEI-SCLBCKFNSA-N 375.477 0.434 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCN(c2nccnn2)CC1 1122615972 UYVLYTAKPAUHSO-HNNXBMFYSA-N 385.476 0.369 30 10 GCEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C#N)c(Cl)n1 1124439987 MJYXMIAQBBTJTP-NSHDSACASA-N 384.845 0.372 30 10 GCEE Cn1cc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)c(-c2ccc(C#N)cc2)n1 1127993152 BQPYPEKPBSVTSH-UHFFFAOYSA-N 380.408 0.905 30 10 GCEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1136671406 HMRMYBJEVSUKMI-SUQMRRJOSA-N 396.444 0.559 30 10 GCEE COc1cc(OC)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C=O 1157893114 BBLHXAKCUDKNKC-YVEFUNNKSA-N 378.406 0.527 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 1170280795 RILKDLKTFAWLNV-HZPDHXFCSA-N 375.450 0.968 30 10 GCEE C#CCN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CCN(C)CC1 1178739651 PCDDPFXHDONWEJ-UHFFFAOYSA-N 377.466 0.115 30 10 GCEE C#CCOc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 1190446591 PLIVSZJAZDPCQX-UHFFFAOYSA-N 385.401 0.707 30 10 GCEE C[C@H](NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1nnc2n1CCC2 1261531762 QHSGKGINFVFIFV-WFASDCNBSA-N 382.424 0.465 30 10 GCEE C=CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1262988589 WGIUHCNJBHVDMO-JXFKEZNVSA-N 388.516 0.824 30 10 GCEE C=C(C)Cn1c(C[C@@H]2SCCNC2=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1263320657 GSNCZILVCNKLNG-UGSOOPFHSA-N 390.513 0.345 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](OC)C1 1281843033 RESYWNINXFNHAO-LVQVYYBASA-N 381.473 0.082 30 10 GCEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286347843 QSPJPZDVVMAVRF-JXFKEZNVSA-N 386.500 0.944 30 10 GCEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1286766332 PTNXVCXYVPQNKZ-UHFFFAOYSA-N 388.476 0.641 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnn2)C1 1286809685 UUYCNFZOZYSUGF-GJZGRUSLSA-N 386.460 0.692 30 10 GCEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOC 1286814024 HZGTYGPZBWWPHQ-UHFFFAOYSA-N 385.490 0.198 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1300531609 DFGFKLYZCJXOQE-MRXNPFEDSA-N 378.436 0.532 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CCOC)C1 1301475474 SAIZUPILSNGGIK-OAHLLOKOSA-N 390.488 0.679 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301500524 NBIMAJRYFGTDBB-HOTGVXAUSA-N 390.488 0.389 30 10 GCEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1301503278 XSNNKOXKQILNJR-UHFFFAOYSA-N 392.504 0.464 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)F)CC1 1301520440 HAEIDBSUEDXWLV-CYBMUJFWSA-N 384.431 0.819 30 10 GCEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)CCO1 1303008845 BEWLJYJYJNURGR-INIZCTEOSA-N 387.488 0.615 30 10 GCEE C#CCN1CCC[C@H](NC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 1311824281 ARQPSKDSUFSXSD-OXJNMPFZSA-N 383.452 0.638 30 10 GCEE CO[C@]1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CCS(=O)(=O)C1 1313320539 YXHFKCDUABVMNY-SFHVURJKSA-N 392.481 0.852 30 10 GCEE C[S@@](=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1316362268 GXTAGWKFVLDAIB-WHDAMIPWSA-N 376.486 0.880 30 10 GCEE CN(Cc1ccccc1Cl)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322759513 DEOOVQYUDDTLKI-FOCLMDBBSA-N 390.827 0.941 30 10 GCEE C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1323983758 KQUYJXCJHYWRIS-OCCSQVGLSA-N 387.440 0.613 30 10 GCEE C[C@H](C#N)CNS(=O)(=O)CCCCS(=O)(=O)N(C)c1nncs1 1324292857 XGRKVIFYBGFJFN-SNVBAGLBSA-N 381.505 0.163 30 10 GCEE CNS(=O)(=O)c1cccc([C@H](C)NCCN/C(O)=C2\N=CC=CC2=O)c1 1324840414 AYBMTAITKHAREE-ZFHSLQLHSA-N 378.454 0.772 30 10 GCEE C#CCSCCNC(=O)C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 1328394219 JOASOAFODXEQPO-UHFFFAOYSA-N 381.498 0.985 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 1329476608 JNBYRBDSXUGMRN-KRWDZBQOSA-N 391.493 0.842 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 1333008720 NQZLJFBOOLVQNN-ROUUACIJSA-N 383.496 0.580 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1CCOCC1 1333470604 RXGOZMCRLUTKHD-WBVHZDCISA-N 397.431 0.375 30 10 GCEE C#CCN1CCC[C@H](NC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)C1 1333656903 ILHPXMOKCYMHHX-INIZCTEOSA-N 378.498 0.534 30 10 GCEE C=C1CCC(CNC(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 1336267483 FZKMMHUYQSHOLW-FQEVSTJZSA-N 393.484 0.325 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(c2nc(C)ns2)CC1 1338776961 YRIDMAKCBQXLMC-KBPBESRZSA-N 390.517 0.688 30 10 GCEE C=C(C)Cn1c(CCCS(C)(=O)=O)nnc1N1CCCn2nncc2C1 1342025048 MNEAVTIZRLRNLP-UHFFFAOYSA-N 379.490 0.833 30 10 GCEE C=C(C)Cn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(=O)(=O)CC)CC1 1343763255 LLBBKNVMNBPUFJ-HUUCEWRRSA-N 398.533 0.063 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCO[C@@H](CC(=O)OC)C1 1343765125 YEBGXPFRGDBMMY-ILXRZTDVSA-N 379.461 0.360 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1343879020 KKQAEJSMXKOSOG-CVEARBPZSA-N 378.477 0.199 30 10 GCEE C=C(C)Cn1c(N2CCN([S@@](C)(=N)=O)CC2)nnc1[C@]1(O)CCSC1 1344027868 VWEANFAPXYRJMB-ODCWNRFASA-N 386.547 0.892 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)C(=O)Nc2cc3c(nc2O)CCCC3)CC1 1346195296 JHLGYTYMWFPIPX-UHFFFAOYSA-N 386.408 0.910 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CCNC(N)=O)C1 1348104699 JXXPAQTTXWLLNS-PYWIUJKZSA-N 392.500 0.771 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1349797930 JGFHZFRQIKGAGY-OAHLLOKOSA-N 379.413 0.982 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CCN(c3nncn3C)CC2)n1CC1CC1 1350437973 RYTOCYTUGWQIBL-KRWDZBQOSA-N 395.515 0.913 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1351574316 QOFRHYQCXIDNRI-HUUCEWRRSA-N 380.518 0.893 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1351604931 QMGNDYIZSIPMHJ-ILXRZTDVSA-N 378.477 0.917 30 10 GCEE C=CCn1c(N2CCO[C@](C)(C(=O)OCC)C2)nnc1[C@]1(OC)CCOC1 1355937621 OJFNMYJDVGQUQQ-ROUUACIJSA-N 380.445 0.885 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1358994865 XWGDCWHLFQGPJH-ODCWNRFASA-N 396.538 0.412 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359331791 IHVCVXHVPCDPQH-OAHLLOKOSA-N 381.502 0.861 30 10 GCEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1465444632 HNSSPGXSPWSMSZ-GFCCVEGCSA-N 377.401 0.288 30 10 GCEE N#Cc1ncn(CCNC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)n1 1470104073 QJTLEGAUNBITNX-UHFFFAOYSA-N 395.489 0.139 30 10 GCEE C#Cc1cccc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1 1470512184 XRNDTECGIVVZAR-UHFFFAOYSA-N 378.432 0.900 30 10 GCEE N#C[C@]12CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@H]1CS(=O)(=O)C2 1472192295 YPJSFLLZVAKTRP-JENIJYKNSA-N 388.493 0.690 30 10 GCEE COc1cc2c(c(OC)c1OC)CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1472726881 BGNPCTJVWJJPFH-UHFFFAOYSA-N 386.408 0.576 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNS(C)(=O)=O 1490813033 IIBPEZZJRIQFRT-NMNMXBMNSA-N 399.513 0.155 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1OC 1507710874 WUOSSWKHUXCUES-RDJZCZTQSA-N 386.456 0.873 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2n[nH]c(C)n2)C1 1508111469 YNLKTSPPRDHXPW-CQSZACIVSA-N 388.476 0.867 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508143453 ZESKWDGCFPMGEX-ZDUSSCGKSA-N 381.502 0.813 30 10 GCEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 1538210556 MXMHLOJEHKNVJO-UHFFFAOYSA-N 395.466 0.531 30 10 GCEE N#C[C@@]12CN(C(=O)c3ccc(=O)n(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1538308681 OUMTYCARULYRIL-UGSOOPFHSA-N 384.417 0.243 30 10 GCEE C#CCN(c1nnc(C)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1539206160 MNWSCWOJMQHOJA-HZPDHXFCSA-N 388.497 0.672 30 10 GCEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539510481 JCDKKNOODYRRPC-CYBMUJFWSA-N 384.469 0.315 30 10 GCEE N#C[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1ccc(Br)cc1 1543287818 DRHKWTWEXRMAER-QWRGUYRKSA-N 386.227 0.043 30 10 GCEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cn1 1554333931 VGZMLETXQWBTEA-MRXNPFEDSA-N 398.471 0.714 30 10 GCEE 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Cc1cc(C(=O)N2CC(C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)C2)no1 1857271285 CWMVBHRULOGUEE-INIZCTEOSA-N 385.424 0.418 30 10 GCEE Cc1cc(=O)n2cccc(C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)c2n1 1857305186 CQKUYGJJCNRXDT-INIZCTEOSA-N 379.420 0.980 30 10 GCEE C[C@]12CCC(=O)N1CCN2C[C@@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1857463918 YKNORYTYMWNRLD-VBKZILBWSA-N 381.436 0.986 30 10 GCEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870521929 SRJAQPWMQLCILC-HOTGVXAUSA-N 393.484 0.785 30 10 GCEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C1 1891914365 FSWKCRHLTMXTOK-CYBMUJFWSA-N 383.433 0.769 30 10 GCEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)C[C@@H](O)C1(C)C 2073136880 XTOVMMQCYICFNZ-LYGAQUJYSA-N 376.475 0.930 30 10 GCEE N#C[C@@H]1CCCN(S(=O)(=O)N=c2cnc(I)c[nH]2)C1 2108272105 QRUXAADDNSXYGZ-QMMMGPOBSA-N 393.210 0.395 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)N2CCC(C#N)CC2)C1 2111800854 MPOLLEBXMIPZHH-KGLIPLIRSA-N 388.490 0.427 30 10 GCEE COC1(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2118171479 VINFDHHLTLBGOL-ZDUSSCGKSA-N 388.490 0.692 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CO)CNCCS(=O)(=O)c1ccc(C#N)cc1 2126276648 BPXOQKLRKVUJHF-CQSZACIVSA-N 383.470 0.807 30 10 GCEE Cn1cc(I)c([C@@H](O)C(=O)C2=CCS(=O)(=O)CC2)n1 2224343313 TYSGZNSUOOFQSW-LLVKDONJSA-N 396.206 0.372 30 10 GCEE C=C(Br)CS(=O)(=O)NCCCNS(=O)(=O)C(F)(F)F 2229355707 OFNJFJGTQQINOQ-UHFFFAOYSA-N 389.215 0.644 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC(F)(F)C[C@@H]2CC#N)[C@H](O)C1 2234014522 IBZMPNSGTADGCF-XWCIJXRUSA-N 389.399 0.869 30 10 GCEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)CN)cc2Cl)OC1(C)C 2255745843 SUXCGTSLJJQGQX-QMMMGPOBSA-N 396.727 0.299 30 10 GCEE C=C(CS(=O)(=O)N=[S@](C)(=O)CC1CNC1)B1OC(C)(C)C(C)(C)O1 2255795711 XUSGRXUMSLNLBS-HSZRJFAPSA-N 378.325 0.821 30 10 GCEE CC1(C)OB(c2csc(C(=O)N[C@H]3CC(=O)NC3=O)c2Cl)OC1(C)C 2267109561 RILCMKMTHGZKNO-QMMMGPOBSA-N 384.650 0.846 30 10 GCEE CO[C@@H](CCO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267370528 MZUAWDSWOWSIHE-NSHDSACASA-N 391.320 0.723 30 10 GCEE COC[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2267468610 LUTYMAYSXSNWDX-NSHDSACASA-N 391.320 0.987 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNS(C)(=O)=O)s1 2267583996 ZPPNGGTZQWOUOJ-UHFFFAOYSA-N 388.320 0.635 30 10 GCEE CN1CC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707925 ACKZHWFOTONDGF-NSHDSACASA-N 387.336 0.566 30 10 GCEE CCS(=O)(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2279034932 IRPATSANNLOCOT-UHFFFAOYSA-N 381.307 0.853 30 10 GCEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281927387 ZDOYIDHRPCOIMA-LLVKDONJSA-N 383.279 0.358 30 10 GCEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282198629 CWMMLXXPVWNYOK-NSHDSACASA-N 384.263 0.343 30 10 GCEE CC[C@@](C)(NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(F)F 2282309703 JSKOSIDFTQUMOC-CQSZACIVSA-N 394.253 0.826 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H](CN)C1 2282330107 VKMRGSFOTVMFKD-VXGBXAGGSA-N 384.311 0.125 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(COC2)C1 2282333288 MPMWJLLQVXQJDV-UHFFFAOYSA-N 383.279 0.130 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3COCC3(F)F)c2)OC1(C)C 2282352341 NJAJMNXHRFWYBT-LBPRGKRZSA-N 390.217 0.693 30 10 GCEE CC1(C)[C@@H](N)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282352600 AZDRMACTCQZPDT-UONOGXRCSA-N 381.307 0.785 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)OC1(C)C 2282354650 TZAGHUWYJQLMCX-OLZOCXBDSA-N 383.275 0.102 30 10 GCEE COc1ccc(S(=O)(=O)N2CC(CO)C2)cc1B1OC(C)(C)C(C)(C)O1 2282490436 IHRXKLMGHHRLMH-UHFFFAOYSA-N 383.275 0.607 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H]4C(N)[C@@H]4C3)ccc2F)OC1(C)C 2282504926 WENAOEAEISBRGX-VXGBXAGGSA-N 382.266 0.703 30 10 GCEE Cc1nc(S(=O)(=O)N[C@@H]2CCN(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509686 NSYXWHRTGVOAAO-GFCCVEGCSA-N 384.311 0.010 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CN3CC[C@H]2C3)OC1(C)C 2282510018 SOXJVUJIKRTPID-RYUDHWBXSA-N 399.347 0.566 30 10 GCEE CC1(C)OB(c2cscc2C(=O)N2C[C@]3(CO)C[C@@]3(CO)C2)OC1(C)C 2282536607 FLNFFRMHDFWLBE-ROUUACIJSA-N 379.287 0.864 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CC[C@]3(C[C@@H](O)CO3)C2)OC1(C)C 2282540419 JQXGHAGRABNKRA-DIFFPNOSSA-N 380.275 0.808 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCN(C3CC3)C2=O)OC1(C)C 2282616767 FLECADWXTSHNSO-GFCCVEGCSA-N 377.275 0.935 30 10 GCEE CN1C(=O)O[C@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282628621 OUAYHYDEXDMFLZ-MNOVXSKESA-N 379.247 0.717 30 10 GCEE CCN(CCS(C)(=O)=O)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282665639 BNOIDXAXEBSUHR-UHFFFAOYSA-N 383.279 0.283 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3NC[C@@H]4C[C@H]43)c2)OC1(C)C 2282833187 GJQMJIPZZKRSAL-GLQYFDAESA-N 379.291 0.267 30 10 GCEE C[C@H](O)[C@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282846613 MGWRIGCUQSTUAA-SWLSCSKDSA-N 385.291 0.147 30 10 GCEE CN([C@@]1(C)CCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856216 PCNQRDJSIPSULS-INIZCTEOSA-N 385.295 0.519 30 10 GCEE C=C(CS(=O)(=O)N[C@@H]1CCNCC[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2282874068 VMHVQGZITYFTMD-CHWSQXEVSA-N 388.295 0.546 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)OC1(C)C 2283064547 ZSMJJKBLDZYHGC-MRXNPFEDSA-N 381.263 0.083 30 10 GCEE CC1(C)OB(c2c(Cl)cccc2C(=O)NCCOCC(N)=O)OC1(C)C 2283109002 AVNRMXMOZFLBJG-UHFFFAOYSA-N 382.653 0.871 30 10 GCEE C[C@@H](CCN)CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2284028525 VNHCNKSVEINYDW-LBPRGKRZSA-N 386.327 0.373 30 10 GCEE Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284396386 CKAVZJFGGPGMOJ-ZDUSSCGKSA-N 385.247 0.018 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NCC[C@H](F)C(=O)O)c2)OC1(C)C 2284398434 YBTUZHNGRNHIPV-LBPRGKRZSA-N 388.226 0.472 30 10 GCEE C[C@H](ONS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284403741 SKLIGLAMTJTQHX-VIFPVBQESA-N 389.210 0.808 30 10 GCEE CC1(C)OB(c2scnc2C(=O)NCC2CN(CC(=O)O)C2)OC1(C)C 2284482202 SNHACNVXBUFQNA-UHFFFAOYSA-N 381.263 0.189 30 10 GCEE CO[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284489803 DKBZXIWYJVJXMC-ZJUUUORDSA-N 382.247 0.614 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC[C@H]2[C@H](O)CO)OC1(C)C 2286217066 ZONBDXQGQBJNBW-UONOGXRCSA-N 383.275 0.102 30 10 GCEE Cn1cc(C#C[C@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)cn1 2366154618 YYFLWUIZDCAGAX-GJZGRUSLSA-N 397.497 0.945 30 10 GCEE CC(C)(C)OC(=O)N1C[C@](O)(C(=O)C#C[C@H]2[C@@H]3COC[C@H]23)C[C@@]12CCOC2 2367299079 WLOPBYNQLWANPG-WJJKDBDQSA-N 377.437 0.982 30 10 GCEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367399433 AHAGQYOFDSMXFW-IECFSIQFSA-N 380.485 0.857 30 10 GCEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccn1 72443804 QNFFKDWNCWKQET-AAEUAGOBSA-N 393.407 0.090 30 10 GCEE C[C@@H]1CN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCS1(=O)=O 155619063 UYJQPILPSJSDOJ-CQSZACIVSA-N 394.472 0.465 30 10 GCEE C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 261952571 HTGVGNROYABZME-HOCLYGCPSA-N 384.546 0.767 30 10 GCEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 279032303 PGNCAGBKCOJHEH-IBGZPJMESA-N 382.424 0.322 30 10 GCEE Cc1nn(C)c(C)c1[C@H]1[C@H](/N=C(/O)N(C)[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 328897570 WGEGKZWFIZCHSD-XJKCOSOUSA-N 397.501 0.342 30 10 GCEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCOC[C@H]2C2CC2)C1=O 367230333 ZDCJQLNUHCLIPE-JXFKEZNVSA-N 382.420 0.963 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 374118231 HHZZACKWVYDWIG-XNRPHZJLSA-N 375.450 0.337 30 10 GCEE N#C[C@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCN1C1CC1 377676362 QHGKWIRBBCEBQM-JKQORVJESA-N 377.514 0.911 30 10 GCEE CS(=O)(=O)N1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462074479 OESGKXXVVGZEMU-UHFFFAOYSA-N 389.441 0.684 30 10 GCEE CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 481033533 GMXNUIWIWHNQOJ-CYBMUJFWSA-N 375.447 0.541 30 10 GCEE Cc1cc(N2CCC[C@@H](N3CCN(c4cnc(C#N)cn4)CC3)C2=O)n(C)n1 499404411 JEDKKNQYFPVJHC-MRXNPFEDSA-N 380.456 0.708 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C)CC1 507864687 GYHFJKIAQGIUFI-KRWDZBQOSA-N 398.467 0.752 30 10 GCEE CCN(CCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(C)(=O)=O 546880454 WEQKFPMUKHHHIS-UHFFFAOYSA-N 394.501 0.456 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCOC2CCCCC2)CC1 550170209 KPEXVWYTDIEBJI-UHFFFAOYSA-N 394.516 0.288 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CC2)CC1 559309398 BNYNRLMDFVCZIU-LJQANCHMSA-N 384.480 0.700 30 10 GCEE CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@](C)(O)C1 563429865 IVEAUOQVZGHTMP-JNSHFYNHSA-N 387.483 0.412 30 10 GCEE C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCO1 567509959 LQPNDPDTENRLQW-CVEARBPZSA-N 385.468 0.923 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C)O2)c1 573982241 LTZWFYUSPAAMPS-YNEHKIRRSA-N 387.483 0.723 30 10 GCEE N#Cc1ccc(C(=O)N2CCN3CCS(=O)(=O)N(C4CC4)C(=O)[C@H]3C2)cc1 575553196 VBGMGUUSKUOYHR-MRXNPFEDSA-N 388.449 0.019 30 10 GCEE COc1cc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)ncn1 586863667 WSSRJQIFRCFRJK-UHFFFAOYSA-N 398.398 0.461 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 589327506 GKFKWVAXYCNWLT-UHFFFAOYSA-N 386.389 0.806 30 10 GCEE N#Cc1cccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)c1Br 591415421 FXVZKVVQMXQKPL-PHIMTYICSA-N 380.198 0.885 30 10 GCEE C=CCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 591649094 SHIYSIPWBPWMRU-MRXNPFEDSA-N 378.498 0.649 30 10 GCEE CO[C@@H](CS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCOC1 594780729 QVUYPLFYFIJOMU-ZBFHGGJFSA-N 397.501 0.104 30 10 GCEE N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc3ccccn23)C1 595963674 CQJZMLHYZNYVLW-UHFFFAOYSA-N 398.470 0.036 30 10 GCEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@H]2C(N)=O)n(-c2cccc(F)c2)c1C 596622090 VSBQLVYMRIAXHN-WBVHZDCISA-N 399.426 0.964 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccnc4c3CC(=O)N4)C2=O)cc1 597561506 JDWVXMJGPYHRKS-MRXNPFEDSA-N 375.388 0.979 30 10 GCEE COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 598431919 HEPXWNLFTSZFQR-OKILXGFUSA-N 379.438 0.902 30 10 GCEE CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599042674 DQITYPFWUIZWGM-LLVKDONJSA-N 377.401 0.507 30 10 GCEE N#C[C@H]1CN(S(=O)(=O)NCC2(OCCO)CCC(F)(F)CC2)CCO1 599411127 COMXJJLTUUQJLP-LBPRGKRZSA-N 383.417 0.002 30 10 GCEE N#CCn1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc2ccccc21 609160169 MQASFAKLGYUHAM-UHFFFAOYSA-N 395.463 0.781 30 10 GCEE COc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 609415908 BZAPOLZFPAPVQE-AWEZNQCLSA-N 379.438 0.748 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c1 617267906 YTJGNXDISMXUHB-AWEZNQCLSA-N 375.454 0.905 30 10 GCEE C=CCOc1ccc(CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 637138523 PYFAHHKYGVORMG-OAHLLOKOSA-N 383.470 0.711 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)C1=O 654230818 SAJADNXIOFKLDB-UWVGGRQHSA-N 377.319 0.579 30 10 GCEE C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 669033744 XPEPUXGPNCARSB-KFWWJZLASA-N 381.502 0.623 30 10 GCEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)[C@H](C)Oc1ccccc1C#N 731918858 MUFNSKRNFRLFAH-GXTWGEPZSA-N 395.437 0.714 30 10 GCEE N#Cc1cc2ccccc2nc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 750015609 GQRFGXGRBOLLBV-UHFFFAOYSA-N 387.465 0.805 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)oc1C 754792228 JROIHKFOUJUHPA-LLVKDONJSA-N 375.424 0.186 30 10 GCEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc[nH]n1 772434811 ISSBQXFPCYXPCX-CYBMUJFWSA-N 399.407 0.936 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 778112425 DDALFOUXATUTRR-UHFFFAOYSA-N 395.412 0.906 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 783482092 ULZFQXHFRAXLQZ-OAHLLOKOSA-N 377.466 0.648 30 10 GCEE CC(C)[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 803849034 PQKBXQHUGAXFRH-PBHICJAKSA-N 379.438 0.828 30 10 GCEE C#CCN=c1nc(N2CCC([C@H](C)O)CC2)[nH]c(N2CCC([C@H](C)O)CC2)n1 804446570 KMHIYYOETWRRLP-GJZGRUSLSA-N 388.516 0.533 30 10 GCEE C#CCN(c1nnc(-c2ncccc2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812173090 NTRJAPGETXBOQG-OAHLLOKOSA-N 389.481 0.922 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)c1nnc([C@@H]2COCCO2)n1CCOC 828935880 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CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC[C@H]21 867798728 GIMHXMGKVLMQLI-CRAIPNDOSA-N 399.470 0.899 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 891310928 KKGZRKKMHQQVSC-UHFFFAOYSA-N 387.436 0.712 30 10 GCEE C=C1[C@@H](C(=O)N2CCO[C@@](C)(COC)C2)[C@H]1C(=O)N1CCO[C@](C)(COC)C1 913351378 FLTIOJNDWLBJJY-NFQUHZNNSA-N 396.484 0.316 30 10 GCEE N#C[C@]12CN(S(=O)(=O)c3cc(F)c(F)cc3F)C[C@@H]1CS(=O)(=O)C2 921956866 MUNVJERMRZARRJ-AMIZOPFISA-N 380.369 0.663 30 10 GCEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 923280691 ZOCWAZWPWGKGBI-LBPRGKRZSA-N 381.454 0.637 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1118572419 RHWHXLWAQXKTQH-FDYHWXHSSA-N 399.485 0.903 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@H]1CCCO1 1122878414 ULBDKPQNCSEPGH-IKGGRYGDSA-N 399.499 0.441 30 10 GCEE C#CCC1(O)CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1153262203 JSSMCRWNCGNEKO-CYBMUJFWSA-N 382.507 0.965 30 10 GCEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN3CCOC[C@]3(CO)C2)CC1 1176524858 VTMBCCSGVLVRDC-LNXHZJMOSA-N 378.517 0.685 30 10 GCEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)CC)c2)CC1 1194096685 LWYQVIJLUGUSSS-UHFFFAOYSA-N 399.494 0.053 30 10 GCEE CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1197320502 GMQVVJCHESJGIB-NSHDSACASA-N 377.216 0.523 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)OC)C1CCN(C)CC1 1262536856 SJMUZRBRKJBOHE-MRXNPFEDSA-N 375.469 0.344 30 10 GCEE C=C(C)Cn1c(N2CC[C@](F)(C(=O)OC)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1263286245 ZAWYMTKPQGYKIU-FSPWUOQZSA-N 381.452 0.857 30 10 GCEE C=C(C)Cn1c(Cn2cc(CCCO)nn2)nnc1N1C[C@H]2COC[C@@]2(C)C1 1263337331 YBPRCQBJZUVIPY-HNAYVOBHSA-N 387.488 0.892 30 10 GCEE C=CCC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](OC)C1 1281848106 VFZNDBZWMNDVDI-FIDHJVLJSA-N 380.485 0.982 30 10 GCEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1)C1CC1 1286732195 MCQIXKMXGPYIKM-DYVFJYSZSA-N 399.517 0.849 30 10 GCEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286789526 HOCSKYLZLUUGNS-QGZVFWFLSA-N 397.483 0.671 30 10 GCEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1297188255 JBHMGYQZOMVVPS-UHFFFAOYSA-N 385.428 0.438 30 10 GCEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1300471731 MOHFAFXTJPGFTK-INIZCTEOSA-N 397.483 0.871 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCN(C)C2)CC1 1300690931 SUOFGVSEXLLTNQ-HXUWFJFHSA-N 384.484 0.668 30 10 GCEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)C1 1302979716 SWLVXZKLJCDDAW-GDZNZVCISA-N 378.408 0.477 30 10 GCEE CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1305299888 LLDCDUMDLLBZCJ-XIKOKIGWSA-N 388.428 0.896 30 10 GCEE Cc1c(CN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cnn1C 1321045891 DFESWIZPNGDIDX-UHFFFAOYSA-N 392.423 0.837 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 1323997973 RHXWHEYPOYHCOC-IBGZPJMESA-N 392.477 0.752 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)C1 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0.923 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1=O 1336268337 QAFFQRYEFCPOSO-AVGNSLFASA-N 391.390 0.848 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1C 1338816992 LZCNNZVCZRNCHQ-ZDUSSCGKSA-N 399.423 0.824 30 10 GCEE C=CCn1c(N2CCC(Cn3cnnc3)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1340699990 ANPXRMLYZJVNRQ-QFBILLFUSA-N 386.504 0.884 30 10 GCEE C=CCn1c(-c2ncn(C)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1342438177 HKIMTWAVQUSHQR-JTQLQIEISA-N 384.366 0.764 30 10 GCEE C=C(C)Cn1c(-c2ccn(C)c(=O)c2)nnc1N1CCO[C@@H](C(=O)OCC)C1 1342896956 IBVFWRCJPMHEQK-OAHLLOKOSA-N 387.440 0.988 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(F)(F)C[C@@H]3CO)CC2)nc1 1346035349 HUXOIVJEWOZNFQ-CQSZACIVSA-N 393.394 0.267 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC(C)(C)O[C@@H]2COC[C@H]21 1346594082 UMPGBCYHRVBNCH-BFHYXJOUSA-N 397.501 0.601 30 10 GCEE C=C[C@](C)(CC)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1347703996 ZXVDGEHACZWHJG-BKEDOTJMSA-N 375.473 0.822 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 1352981278 HUNKSCFTBBVACS-HRCADAONSA-N 393.484 0.856 30 10 GCEE C#CCN1CCC(NC(=O)C(=O)Nc2cccc([S@](C)(=O)=NC)c2)CC1 1354546074 MQTMRWZVMBWZBC-SANMLTNESA-N 376.482 0.925 30 10 GCEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](C(=O)OCC)C1 1356232641 VBRMWAPBYCFIRS-QGZVFWFLSA-N 385.420 0.863 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)c3cccc(-n4[nH]nnc4=N)c3)CC2)cc1 1440421547 FSKGZYROYGPTIY-UHFFFAOYSA-N 388.435 0.905 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CS(=O)(=O)C2)c1 1441629025 GSGIDLRSDPFUML-SAPNQHFASA-N 385.467 0.483 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)cc1 1455352783 DDSMNQVQCVYHOL-UHFFFAOYSA-N 390.469 0.759 30 10 GCEE N#Cc1cn(CCC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c(=O)nc1O 1465388871 VLEDXXOXJFONSY-INIZCTEOSA-N 395.419 0.632 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC)C1 1507703209 SEEVZVRLIQFKBO-KRWDZBQOSA-N 388.516 0.942 30 10 GCEE C=C(C)Cn1c(-c2nc(COC)n(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]2C1 1345064797 VMZYQVWFMRYFEX-AESZEHBQSA-N 378.473 0.204 30 10 GCEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1345712663 WYUGHFFJTVZVQR-YQQAZPJKSA-N 389.500 0.386 30 10 GCEE Cn1c(N2CCCC2)c(C=NNc2nncc(N)c2Cl)c(=O)n(C)c1=O 1348631368 PQEVVECDCUGPRF-UHFFFAOYSA-N 378.824 0.156 30 10 GCEE C=CCn1c(C2CCN(S(N)(=O)=O)CC2)nnc1N1C[C@@H]2[C@@H](C1)C2(F)F 1351957715 FOGVHEMJWVWDSD-VXGBXAGGSA-N 388.444 0.548 30 10 GCEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1359018859 DVDKIDBVAPNYQC-GJZGRUSLSA-N 399.517 0.401 30 10 GCEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 1359179314 RHMLPFAUJJSANG-CQSZACIVSA-N 381.502 0.671 30 10 GCEE C=CCNC(=O)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OCC)CCOC1 1359305532 FXBFXNSUEVIEHZ-KSSFIOAISA-N 376.461 0.828 30 10 GCEE N#CCOc1ccc(CC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1458287522 HSZLDZDVPDYUJA-QAPCUYQASA-N 378.450 0.984 30 10 GCEE 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C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 265298035 IWZHUEPWFDHNDX-CQSZACIVSA-N 394.497 0.642 30 10 GCEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN2CCO[C@H]1C2 296786493 JDDOMLIJFHIEPG-QRVBRYPASA-N 397.479 0.774 30 10 GCEE CN1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)S1(=O)=O 302641793 WGXMSIJPYDBNIK-UHFFFAOYSA-N 382.291 0.857 30 10 GCEE C[C@@H]1CCN(/C(O)=N/Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O 329091984 AJRQQIVSTBTNTG-RHSMWYFYSA-N 397.497 0.824 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](OCCC)CC2)CC1 410538765 LXYDTGDLRSRLFQ-KRWDZBQOSA-N 394.516 0.241 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)c(F)c1 500275261 AYLZFLQEDWVLGW-UHFFFAOYSA-N 385.403 0.144 30 10 GCEE Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n(CCC#N)n1 532608328 JRQKPGPUYDXIFA-OAHLLOKOSA-N 380.408 0.965 30 10 GCEE C[C@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)n1cnc(C#N)n1 539505738 MQTLVLUJDIZIDR-LLVKDONJSA-N 391.457 0.666 30 10 GCEE COC(=O)CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 540418242 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GCEE CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1134645446 LGZVQKLTCUEVIO-QWQRMKEZSA-N 381.498 0.668 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC 1136205562 FISZWDSGCMNTML-QWHCGFSZSA-N 381.429 0.183 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC#C[Si](C)(C)C 1146804148 YBPAWTDHIORNMO-CYBMUJFWSA-N 395.557 0.839 30 10 GCEE N#CCC1(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 1261227029 HAWVEHZXTRRNTG-OAHLLOKOSA-N 396.513 0.649 30 10 GCEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1286628153 BOHVGZHTJNWDDJ-NSHDSACASA-N 375.882 0.505 30 10 GCEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286645652 GUOLCSGFSCAMSM-HRCADAONSA-N 396.513 0.877 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1C 1290997640 LPZLVYGMRIVSDN-FPCVCCKLSA-N 377.485 0.657 30 10 GCEE O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nnc(-c2ccco2)n1 1291853778 FUOSPKLXNXKYPR-ILXRZTDVSA-N 380.408 0.595 30 10 GCEE C#CCOc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2(C(N)=O)CC2)cc1 1291989801 WUAQTVHDBKUYPC-PVAVHDDUSA-N 381.432 0.826 30 10 GCEE CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)CC#N 1299313687 HOVHRYICBYSVKJ-ZDUSSCGKSA-N 377.474 0.551 30 10 GCEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300972727 PLHONDLSWHLDOG-AWEZNQCLSA-N 376.461 0.141 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1301373558 YQLVIDSDKCVGIN-ZIAGYGMSSA-N 385.490 0.482 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301491519 SAWDCJYYCICDHQ-MRXNPFEDSA-N 392.467 0.819 30 10 GCEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1304906021 QEQKSMBWYSEXGZ-OAHLLOKOSA-N 398.467 0.883 30 10 GCEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OC 1309759934 BFSHYMZMNQISRZ-LBPRGKRZSA-N 391.467 0.885 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 1310200479 KXWADBBFDWELTB-UHFFFAOYSA-N 394.453 0.811 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](CN2CCOCC2)C1 1321236437 CEEKRCKULKUVAP-RAJOGRCSSA-N 376.457 0.474 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](CC)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1321361002 KYGAYTNBOBTUOZ-RDJZCZTQSA-N 392.477 0.911 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 1324514747 WLFVLOSFPHCBQP-UHFFFAOYSA-N 388.445 0.673 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F 1325505357 YEERFDHYXLYBQT-GFCCVEGCSA-N 397.353 0.412 30 10 GCEE CCS(=O)(=O)NC1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 1326231786 KISNQZKBPHBJAD-UHFFFAOYSA-N 392.481 0.299 30 10 GCEE C=CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 1328848112 LWCANQHYOLNLQY-LSDHHAIUSA-N 383.514 0.731 30 10 GCEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 1329941250 ODODARLYMRGGTK-ZDUSSCGKSA-N 385.467 0.454 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C)[C@H]1CCS(=O)(=O)C1 1336575358 TVADRRKKNKRBRH-ULQDDVLXSA-N 388.489 0.944 30 10 GCEE C#CCN(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1337071595 FQQSVJCBHBVQDX-OAHLLOKOSA-N 391.424 0.957 30 10 GCEE C#CCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 1337605554 LURDUQGOBLBFSJ-UHFFFAOYSA-N 397.523 0.981 30 10 GCEE C=CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC)CCOC1 1338760661 CCHKORNUZOTCON-WMLDXEAASA-N 399.517 0.492 30 10 GCEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@](C)(C2CC2)C1 1338867788 NPHIQKOSIBGKBL-IBGZPJMESA-N 386.456 0.534 30 10 GCEE C#CCN(c1nnc([C@@H](C)c2c(C)n[nH]c2C)n1C)[C@H]1CCS(=O)(=O)C1 1339771712 STFCBOASCIWRLV-FZMZJTMJSA-N 376.486 0.934 30 10 GCEE CC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 1340494015 DZTSJCHQYSUBQB-GUYCJALGSA-N 397.435 0.842 30 10 GCEE Cc1cc(C)nc(-n2nc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2C)n1 1341371271 VOYDQWDOWHEWFT-VLGSPTGOSA-N 395.423 0.844 30 10 GCEE C=CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1342385908 RLLUEMCDOTUTBG-MPGHIAIKSA-N 397.545 0.779 30 10 GCEE C=CCCCN(CC)C(=O)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1345181753 DDLSFCXLDFNIRL-IRXDYDNUSA-N 391.516 0.548 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)CC1 1345474768 BJUPERPXEWUNAT-UHFFFAOYSA-N 392.525 0.389 30 10 GCEE COCCNC(=O)CN1CCN(c2nnc([C@H]3C[C@H]3C#N)n2CC2CC2)CC1 1346642145 AGFJWPAOKCEVOZ-HOTGVXAUSA-N 387.488 0.200 30 10 GCEE C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)n1C 1347442247 XQECOHVMMNXKGS-TUVASFSCSA-N 376.457 0.567 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1356618799 STOHXLBMHTXFEW-GRDNDAEWSA-N 397.501 0.603 30 10 GCEE CN(Cc1cnn(-c2ccccc2)n1)C(=O)CCn1cc(C#N)c(O)nc1=O 1444557194 AVPISKWULDWDAK-UHFFFAOYSA-N 379.380 0.450 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CCOC1=O 1455457109 ZEHNRXBFICZYIY-GXTWGEPZSA-N 379.438 0.685 30 10 GCEE CN(C)c1ccc([S@](C)(=O)=NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1471018279 PQBNHPAIIUXWLS-MHZLTWQESA-N 389.437 0.960 30 10 GCEE N#Cc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472221388 UGMRXSHJDXBKIK-SWKXRBFHSA-N 375.450 0.428 30 10 GCEE C#CC1(O)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1475758274 NURMHNRHFWKZTB-UHFFFAOYSA-N 376.434 0.319 30 10 GCEE Cn1nc(C(F)(F)F)cc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1479259017 GQJCMAXUWSLMQR-ZANVPECISA-N 391.375 0.519 30 10 GCEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1504965044 LPLSNLDQZHCSEF-ZTFGCOKTSA-N 396.467 0.511 30 10 GCEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C 1507961567 BUGDUWYECGYCDY-KGLIPLIRSA-N 376.461 0.489 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1508076427 SXMUBLLKILVOOA-ZDUSSCGKSA-N 398.533 0.817 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1508091700 OJPWSFBPGFYJFO-HZPDHXFCSA-N 393.488 0.714 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 1521237947 SSGXYSJMUOLKLE-AWEZNQCLSA-N 395.456 0.917 30 10 GCEE Cc1oc(-c2cnn(C)c2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536179892 NOLLOHZCERRZFY-LRDDRELGSA-N 375.410 0.394 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1539177937 CCCPKWFFGWTFSX-CVEARBPZSA-N 396.513 0.693 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1539179878 SXYRQRZHNLAGBX-OAHLLOKOSA-N 397.501 0.107 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539218788 DCIFLSGWYKWMCD-XJKSGUPXSA-N 384.527 0.335 30 10 GCEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1539751751 TXJXJDBSDUEVMT-GJZGRUSLSA-N 395.485 0.502 30 10 GCEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1540871731 RWEDIPKBLWXGRE-ZDUSSCGKSA-N 375.477 0.383 30 10 GCEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1540873881 MWPZSBLQFBNGQO-UHFFFAOYSA-N 398.471 0.172 30 10 GCEE CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1548245221 DFPWKKVVLDNWIT-KBPBESRZSA-N 383.474 0.336 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(S(N)(=O)=O)C3)CC2=O)cc1Cl 1556987352 GQVBFHKTWCKPQH-JTQLQIEISA-N 382.829 0.064 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](F)COC)CC1 1588930551 YWIMCDSECBNWJU-HOTGVXAUSA-N 393.463 0.732 30 10 GCEE C#CCSCCn1c(CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1589078517 QQFYMVIBJGRGTM-ZDUSSCGKSA-N 388.501 0.739 30 10 GCEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595831056 JQOQTZLTKOJAKK-CQSZACIVSA-N 397.501 0.226 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 1621673046 AJHRUQYHNNVVMD-GJZGRUSLSA-N 375.512 0.930 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(C3CCSCC3)n2)C1=O 1623942030 NQKJTLAVGUFHDQ-UHFFFAOYSA-N 377.426 0.867 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1632484207 CHTVXZQNTGWTFN-TZMCWYRMSA-N 381.372 0.514 30 10 GCEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1635104604 VAQAKCRTAGVROI-HUUCEWRRSA-N 385.461 0.864 30 10 GCEE C=C(C)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)C(=O)OC 1635630700 QCIFCTYIWCTHGW-SWLSCSKDSA-N 384.454 0.986 30 10 GCEE CCOC(=O)c1[nH]c(C)c(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1648416331 XSZJUEOOCIFRNE-UGSOOPFHSA-N 393.465 0.861 30 10 GCEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)cc1 1652099991 MFSVCKNSEMCGLL-NSHDSACASA-N 376.800 0.405 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3(O)CCCC3)CC2)cc1 1653741161 RBKDCMVVUUZPOR-KRWDZBQOSA-N 379.482 0.531 30 10 GCEE N#Cc1cn(C2CN(C(=O)c3cccc(-n4ccnc4O)c3)C2)c(=O)nc1O 1653760538 XIWHFXJURLGDPZ-UHFFFAOYSA-N 378.348 0.409 30 10 GCEE COc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1660452709 MJRNLTRGHCDKNG-YVEFUNNKSA-N 379.438 0.512 30 10 GCEE C#CC[C@H](COC)NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1680438421 MOQFMJKRCNTHFE-MRXNPFEDSA-N 396.465 0.612 30 10 GCEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1689908198 ZLWJSIVMJCWKQC-INIZCTEOSA-N 376.505 0.987 30 10 GCEE C=C[C@@](C)(O)CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1701153742 AMASLADTMXVBPL-JTWUUNPKSA-N 382.501 0.966 30 10 GCEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705846907 XJOKUOPFIRGYPV-AWEZNQCLSA-N 396.517 0.304 30 10 GCEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1722633527 UYIXAXJCXNBLFD-SCLBCKFNSA-N 392.460 0.541 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1722718231 HPIBDFQYFAMCNA-QAPCUYQASA-N 398.529 0.808 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722729318 JEALCQZNRKWVEA-OAHLLOKOSA-N 394.501 0.543 30 10 GCEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H](C)NC(C)=O)CCOCC1 1736456058 MEWQEYRUBVMABN-SIXLDLHFSA-N 375.469 0.579 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCS(N)(=O)=O 1740290212 DIPMPKFNNJGAHJ-MDLJMBGESA-N 399.513 0.284 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CN(C)C1=O 1740685830 RIMYBLNCSHOHAJ-HNAYVOBHSA-N 375.473 0.736 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C2CC2)CC1 1740695947 HXZIFSBKUYNIMG-KRWDZBQOSA-N 386.500 0.454 30 10 GCEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748817298 IBUDBUVOWOVFHL-HZPDHXFCSA-N 396.513 0.835 30 10 GCEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1749209338 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CC1(C)OB(c2csc(C(=O)NCc3noc(C(N)=O)n3)c2)OC1(C)C 2285751403 UZENSVBYVMVKAC-UHFFFAOYSA-N 378.219 0.459 30 10 GCEE C#CC1(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC(C)C1 2288210924 UFDRJLUXZCIQDI-UHFFFAOYSA-N 379.291 0.800 30 10 GCEE Cn1cc(I)c([C@@H](N)C#CC2(S(C)(=O)=O)CC2)n1 2319407427 ZXLJRJREVISGST-VIFPVBQESA-N 379.223 0.605 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2336515196 UANLFWGCDQIDFW-JQWIXIFHSA-N 383.300 0.916 30 10 GCEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2339391888 ZZAXAJRZWLGKSW-RYUDHWBXSA-N 388.682 0.604 30 10 GCEE CCN[C@@H](C#Cc1ccnn1C)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2342009494 LLVWCYPVUUIKHL-GJZGRUSLSA-N 384.502 0.688 30 10 GCEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2342054701 UFKVJUSRJKEMCT-KKUMJFAQSA-N 386.514 0.915 30 10 GCEE C=CC[C@@]1(CO)CCCN(C(=O)[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1 2359668006 XFNOCDZDPNBKLD-DEXNDLTESA-N 384.473 0.505 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H]3CNC(=O)[C@@H]32)OC1(C)C 2362503353 PJWXKDRADBVFAL-CMPLNLGQSA-N 377.275 0.793 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@](O)(CC(=O)O)C2)OC1(C)C 2362567542 NNUVTRZJFKGBGA-MRXNPFEDSA-N 382.247 0.494 30 10 GCEE COc1[nH]c(=NCCCNS(C)(=O)=O)ccc1B1OC(C)(C)C(C)(C)O1 2365348980 XOGVLOXSVGRSOF-UHFFFAOYSA-N 385.295 0.163 30 10 GCEE COCCn1cc(C#C[C@H](N)[C@]2(O)CC[C@H]2CNC(=O)OC(C)(C)C)cn1 2366098193 CPOBLMDMBHCQIU-BXWFABGCSA-N 378.473 0.874 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)C1 2368805369 IYJYRRNUIUSWBT-XLPNERPQSA-N 376.457 0.821 30 10 GCEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2)[C@H]1CCOC1 2368816038 TZJDIFOPCWJJPQ-JONQDZQNSA-N 378.473 0.972 30 10 GCEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254392156 BZOULFJJIUBQFB-BXUZGUMPSA-N 398.462 0.659 30 10 GCEE C[C@@H]1[C@H](O)C(=O)[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@]1(C(=O)C=O)CO1 256057104 MLIJBZORKJUODY-UOKSWXMJSA-N 380.437 0.195 30 10 GCEE CC/N=C(/NCCNC(=O)c1ccc(O)cc1)N1CCC[C@@]2(CNC(=O)C2)C1 262859618 YWWGZNYRDHPARF-HXUWFJFHSA-N 387.484 0.690 30 10 GCEE C=CCOc1cccc(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 268543668 HFNSBLINXYHSGK-UHFFFAOYSA-N 388.468 0.812 30 10 GCEE N#C[C@H]1COCCN1S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 273646615 CKFQGKSOTATWPE-YPMHNXCESA-N 379.394 0.037 30 10 GCEE Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 277748288 JEMXOABWRANZTM-OWJWWREXSA-N 382.442 0.925 30 10 GCEE CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCSCC1 349520367 REYSHGZRTUHQTA-ZDUSSCGKSA-N 383.561 0.709 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCSCC1 349595068 WNFBTGWEAFVBSO-ZDUSSCGKSA-N 383.561 0.709 30 10 GCEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2=O 362118865 QOZGWCQIZVUAMF-IIAWOOMASA-N 387.484 0.932 30 10 GCEE COc1cc(OC)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 371150056 YNAPIIRQUJLLGV-GFCCVEGCSA-N 376.388 0.980 30 10 GCEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-n1cnnn1 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C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1ncn(C)n1 592827961 WGHZXZMALGPTMM-LBPRGKRZSA-N 376.442 0.103 30 10 GCEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCS(=O)(=O)N2)cc1 593443559 GMQLVRCLOZIUDL-CHWSQXEVSA-N 380.451 0.090 30 10 GCEE C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1)C(C)(C)C 594637558 WDTNTXXNNUXYNT-SNVBAGLBSA-N 394.544 1.501 30 10 GCEE CCN(C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCN(C)C1 595197449 SDUFPJBDBWEZRM-AWEZNQCLSA-N 390.513 0.524 30 10 GCEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCC(O)CC1 595962837 VIICMKSTPJVJIH-UHFFFAOYSA-N 387.483 0.318 30 10 GCEE N#CC1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCCC1 596863901 ROEWYYVBCDPTNO-UHFFFAOYSA-N 375.473 0.937 30 10 GCEE N#Cc1ccc(NCC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)nc1 598907172 WTMSYFUTQDGAQS-UHFFFAOYSA-N 382.399 0.952 30 10 GCEE CC(C)Oc1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1C#N 599766087 OUZRPUHDOIBCIM-UHFFFAOYSA-N 381.458 0.958 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CC(N2CCOCC2)C1 600066767 LNMIAWVJELEUSV-IUDNXUCKSA-N 392.481 0.204 30 10 GCEE Cc1ccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)cc1C#N 600663795 IDLCCTCPPDMJCC-ZDUSSCGKSA-N 377.466 0.907 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C)c2C)CC1 605001943 PKHSLVAQEZPMDC-UHFFFAOYSA-N 381.498 0.921 30 10 GCEE C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 679476942 MVNKADUVOVNARN-UHFFFAOYSA-N 390.483 0.188 30 10 GCEE C=CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 679531343 WSGPQHFDPUDTNZ-UHFFFAOYSA-N 375.425 0.725 30 10 GCEE C#CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 729331924 IJAWCANHJOBZPD-HZPDHXFCSA-N 377.466 0.743 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 732153901 MBBGBHMIMMQJAT-QFPXGYFVSA-N 382.420 0.934 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2)C1=O 732462450 BCIOFSJRQRTZGK-UVTIVQHFSA-N 383.408 0.618 30 10 GCEE CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)co1 756499248 HUXFSPOICGIJBX-UHFFFAOYSA-N 397.434 0.661 30 10 GCEE C=CCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 772713720 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CS(=O)(=O)NC(=O)CCNC(=O)Cc1ccc(Br)cc1C#N 846000803 VSQUFMGKYSVZFV-UHFFFAOYSA-N 388.243 0.445 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 846251049 ZCMAIWPHFLTBGZ-ZACQAIPSSA-N 384.436 0.320 30 10 GCEE C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 846271892 JDGDIOAOBAYTQR-CJNGLKHVSA-N 388.468 0.812 30 10 GCEE C#C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 848956103 NAQFTYPORLESSY-CJNGLKHVSA-N 397.478 0.290 30 10 GCEE C=CCC1(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CCOCC1 854834507 MBBHAGJFIOBVRS-UHFFFAOYSA-N 393.531 0.476 30 10 GCEE C#CC[C@@H](COC)NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 859032620 FRVDCXNCDOYFDV-JSGCOSHPSA-N 396.469 0.259 30 10 GCEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C(C)(C)C 861734214 GCFLODSWWLFRSZ-ZDUSSCGKSA-N 385.873 0.881 30 10 GCEE CN(CCOCCNC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)OC(C)(C)C 862044083 RFKJKVWMDTYDQG-UHFFFAOYSA-N 391.428 0.891 30 10 GCEE 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C[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805126538 FJQLJIWINFOWHI-BJDJZHNGSA-N 398.407 0.233 30 10 GCEE CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCN(c2cccc(C#N)n2)CC1 808747603 RZXDWQZRYAXGPH-UHFFFAOYSA-N 394.497 0.832 30 10 GCEE Cc1nc(Cl)cc(NN=Cc2c(N3CCCC3)n(C)c(=O)n(C)c2=O)n1 817326384 VPBWTWNEMQFGGV-UHFFFAOYSA-N 377.836 0.882 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cnnn1-c1ccccc1 820791090 HSKJIKUACPLSOS-NXVVXOECSA-N 388.409 0.072 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 834699234 ZBUKPGGFFUQUEM-IRXDYDNUSA-N 376.501 0.307 30 10 GCEE C#CC[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC 837940996 CFDZBXMRUMLSFX-MRXNPFEDSA-N 381.436 0.858 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCOC2)c1 848953607 LFBUTMDJLJKCQG-UHFFFAOYSA-N 383.451 0.203 30 10 GCEE CCOC(=O)[C@]1(F)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC12CCC2 849417139 JZLHNZIZLRFJRF-SWLSCSKDSA-N 375.422 0.213 30 10 GCEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(O[C@H](C)C#N)cc1 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HVAGURTVZNTBGY-LJQANCHMSA-N 391.472 0.483 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@](O)(C(F)F)C3)CC2)c(F)c1 1344729942 TZNBQBYYSMWKDS-GOSISDBHSA-N 396.369 0.574 30 10 GCEE CC1CCN(C(=O)C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)CC1 1347035020 BBOKPIOLAVEEQE-ILXRZTDVSA-N 378.498 0.750 30 10 GCEE C=CCCC1(CNC(=O)C(=O)N2CCOC[C@@H]2CNC(=O)NC)CCCC1 1348683107 ADCWJMVSWGYUJD-HNNXBMFYSA-N 380.489 0.786 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC3(C[C@H](O)CNC3=O)C2)CC1 1350571229 IIBVORCOGRGRRD-HNNXBMFYSA-N 391.468 0.346 30 10 GCEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)(F)F)CC1 1359037814 YDTJCKWJTFAMSU-UHFFFAOYSA-N 384.406 0.664 30 10 GCEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1359240637 UJQKTJHKJRQOQN-ZDUSSCGKSA-N 379.490 0.564 30 10 GCEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1438602664 PHJXTXRATCANLB-LBPRGKRZSA-N 385.467 0.816 30 10 GCEE C#CCN(C(=O)c1nnn(Cc2cc(C)on2)c1C)[C@@H]1CCS(=O)(=O)C1 1456087589 SHEWPOFGNGGSDD-CQSZACIVSA-N 377.426 0.194 30 10 GCEE CCS(=O)(=O)N(C)C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1464999432 ZVHDPTBRLZOFGV-WUKNDPDISA-N 398.485 0.175 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1483753454 CMTQUXPDHNOUAG-ZQDZILKHSA-N 378.473 0.440 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@H]21 1489652122 AWHVQAPNTDJJEV-DLTWYDFYSA-N 384.498 0.462 30 10 GCEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC2(O)CCOCC2)c1 1505316663 FYCSWRBVFBBEPZ-UHFFFAOYSA-N 382.424 0.294 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1507604918 OJBSFTIBENESAJ-QGZVFWFLSA-N 382.486 0.577 30 10 GCEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC 1507974319 ABDCNKKQHVOOJV-UHFFFAOYSA-N 379.442 0.845 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1508426727 VNTTUJSZQWINNV-MJBXVCDLSA-N 389.460 0.756 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1509943029 APPXVMGIQFMPLB-SUMWQHHRSA-N 390.469 0.628 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2cc(C)cnc12 1522147229 JZCCJLGQWHNUEG-JHNDHUHGSA-N 381.436 0.938 30 10 GCEE C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](OC)c1cnn(C)c1 1522291374 BDDKVHXNZQCASR-XLMAVXFVSA-N 376.457 0.948 30 10 GCEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539230014 AZPWKQCZIUMBCH-OWCLPIDISA-N 394.497 0.793 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539453753 QDIMRSNSHVJYCH-UTKZUKDTSA-N 396.495 0.559 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540903214 AZWURSPYWONAMD-ILXRZTDVSA-N 384.502 0.590 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)COCc3ccnn3C)C[C@H]21 1572794141 RLBOBNAHDZHBPH-HPBDAGMYSA-N 388.468 0.587 30 10 GCEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1611607495 VOZYWGDCVBPPHG-OWCLPIDISA-N 376.461 0.579 30 10 GCEE CN(C)C[C@H]1CN(c2ncccn2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 1614604648 YCVHLWULJPMAMX-RDJZCZTQSA-N 386.481 0.693 30 10 GCEE CCN(C)C(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1615090913 IMXXEFDHAOSRFO-DYVFJYSZSA-N 382.440 0.922 30 10 GCEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)CC(=O)OCC 1625752556 XOSZHJHWGHYSIQ-NSHDSACASA-N 391.852 0.899 30 10 GCEE C#C[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1637752440 KURBAPLNUGPDQQ-BFUOFWGJSA-N 398.456 0.445 30 10 GCEE CC1=C(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)S(=O)(=O)CCO1 1639973654 HTHDKYGBDLUEMT-OAHLLOKOSA-N 389.433 0.452 30 10 GCEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3cccc(OC)c3)o2)CC1 1642589532 ODVNQOXUICWLIM-UHFFFAOYSA-N 391.453 0.330 30 10 GCEE CNC(=O)NC[C@@H]1COCCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 1648119078 PNNKVEGNKZSKJS-CABCVRRESA-N 394.435 0.853 30 10 GCEE C=CCC1(O)CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1652164362 DVJFOEMYUNQWBT-GXTWGEPZSA-N 388.511 0.705 30 10 GCEE C[C@@](O)(CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1655770638 LHINGOLBDHZYLO-USXIJHARSA-N 398.506 0.168 30 10 GCEE C#CC[C@@H](CO)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1663019721 XHQHJGNVOZZRPU-IRXDYDNUSA-N 396.465 0.328 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)C3CC3)C2=O)cc1 1672352140 CMTPHEJAXKNZAQ-MRXNPFEDSA-N 390.465 0.536 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 1679944391 MERZGBNWNUWURA-ZDEQEGDKSA-N 386.474 0.620 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1690019661 OLCRTPSJEKSZDT-HNNXBMFYSA-N 391.497 0.168 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnnn1C 1690043666 JGQBBKZBPXDDKJ-UHFFFAOYSA-N 392.423 0.646 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2C)CC1 1690130501 HUNAYNUEZIWMIV-UHFFFAOYSA-N 396.499 0.246 30 10 GCEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCN(C)C2)CC1 1690363979 GLOAKYMKGINREO-PBHICJAKSA-N 398.533 0.111 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2ncn(C)c2n1 1702919403 KUCVLZXZRBNINN-OMNBBPDLSA-N 381.436 0.868 30 10 GCEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2)CCO1 1712882376 BEUDKOIBCNDGJW-ZIAGYGMSSA-N 376.486 0.996 30 10 GCEE C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@@H]2C1 1719579974 XBXBETCDZQOYRM-WOYCLPQFSA-N 387.480 0.392 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN2CCCCC2)CC1 1722437159 ADNLRZYAXRLQCX-UHFFFAOYSA-N 380.500 0.976 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1722729138 WYEOQWHNRLVDNN-KGLIPLIRSA-N 397.501 0.050 30 10 GCEE CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1731018442 KVTVMBVGSDCRDE-CQSZACIVSA-N 382.490 0.809 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1731254489 GMLDFGBHYZRKRV-AYCBFJCHSA-N 378.473 0.248 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)OC 1736476349 AQEUDYHFMGEBDJ-BARDWOONSA-N 380.445 0.061 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)COCc2cc(C)on2)[C@H](OC)C1 1739580968 PLVJIZCKDDLRPV-WCXIOVBPSA-N 393.440 0.433 30 10 GCEE C#CCN(C(=O)Cc1cnc[nH]1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739635772 OEENILPDNANNOQ-GJNTUIEKSA-N 382.464 0.828 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)CC 1740532319 DKEKMRPTUXDINM-BAGVQZLWSA-N 375.520 0.115 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2noc(CC)n2)CC1 1740696264 POJYTKLPHKJICM-HNNXBMFYSA-N 385.472 0.725 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cn[nH]c2)CC1 1740705370 GKRAXMBXXLTNHK-QGZVFWFLSA-N 397.483 0.714 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNS(C)(=O)=O 1740733999 VUVNANJMJAODDH-GOSISDBHSA-N 388.497 0.805 30 10 GCEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1conc1COC 1740890531 APSBYDVRPILBCW-LLVKDONJSA-N 384.462 0.693 30 10 GCEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1748765554 LHRCUHFUOIBZEH-KRWDZBQOSA-N 389.548 0.759 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCn2cncn2)CC1 1748994258 WEVIWGATVNOCGO-UHFFFAOYSA-N 382.497 0.977 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC2)CC1 1749004007 CCNRJJVGBYKQKV-LBPRGKRZSA-N 394.501 0.189 30 10 GCEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1 1760137782 MPYIQYRMIXCANM-AWEZNQCLSA-N 379.486 0.262 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCOCC1 1760163587 XHXCXYOEVNIVPI-OAHLLOKOSA-N 398.533 0.070 30 10 GCEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)C2CC2)CC1 1760255881 BKYNQMDLPIESBQ-UZLBHIALSA-N 391.516 0.918 30 10 GCEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1760285028 XPMXLVHLCFMUOP-UHFFFAOYSA-N 391.522 0.865 30 10 GCEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760509584 QUKQMPQGPWFIPF-LLVKDONJSA-N 379.442 0.815 30 10 GCEE N#CC1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1771535074 BVDFELSBELAJDM-KRWDZBQOSA-N 379.486 0.835 30 10 GCEE CN1CCC(N2C[C@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)CC1 1850124562 AFFBPGSATBKTEK-CYBMUJFWSA-N 378.436 0.805 30 10 GCEE O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NCC#CCN2CCCCCC2)N1 1851130319 IIYQSERSPMNWHK-JKSUJKDBSA-N 392.525 0.162 30 10 GCEE N#Cc1ccc(C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)cc1F 1851970269 AZKDQJNBZZZGFW-UHFFFAOYSA-N 380.445 0.537 30 10 GCEE CC(C)[C@@H](C(=O)Nc1nc2n(c1C#N)CCCC2)N1CCS(=O)(=O)CC1 1852363405 DMBIGXDUGDGAGV-HNNXBMFYSA-N 379.486 0.785 30 10 GCEE COc1cccc(-n2ncc(C#N)c2NC(=O)CN2CCN(C(C)=O)CC2)c1 1853045106 GEHOMFGXGKWCDD-UHFFFAOYSA-N 382.424 0.855 30 10 GCEE CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)CC1 1853768252 ZXCADBTUCBXNLP-INIZCTEOSA-N 396.513 0.411 30 10 GCEE C[C@@H]1C(=O)N(C(=O)Cc2cn(C)c3ccccc23)CCN1S(=O)(=O)CC#N 1854813972 LRPOSGQLIUNBSH-CYBMUJFWSA-N 388.449 0.633 30 10 GCEE C#CC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1855595674 VRHLSXSBKHWBDL-AAEUAGOBSA-N 378.406 0.688 30 10 GCEE C[C@@H](C(=O)N1CCN([C@H](C)CCC#N)CC1=O)n1nnc2ccccc2c1=O 1856420982 DYMAEEIXHGIOAE-KGLIPLIRSA-N 382.424 0.716 30 10 GCEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861258385 MJKYFKFUXNXCRW-ZWKOTPCHSA-N 399.422 0.913 30 10 GCEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCO)CCO 1870516757 RRLZASNXKHNIOX-UHFFFAOYSA-N 381.473 0.116 30 10 GCEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(N)(=O)=O)CC1 1962801341 WISLACBRFMBLBZ-GFCCVEGCSA-N 376.479 0.194 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CC(C#N)C2)C[C@]12CCOC2 2118171295 QPTLHOIZGHOOHT-CJNGLKHVSA-N 386.474 0.445 30 10 GCEE Cc1ncnc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2172774175 LNJMSRLASBFSSI-OLZOCXBDSA-N 379.291 0.708 30 10 GCEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C(=O)NCC#N)CCC2)CC1 2194718644 UXOHMDVGBQJRRI-UHFFFAOYSA-N 379.461 0.218 30 10 GCEE C=CCO[C@@H]1CCCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2197438104 NIIIQVRNUOKHKC-SPYBWZPUSA-N 384.473 0.913 30 10 GCEE C=CC1(CNC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CCOCC1 2200967743 QKCUYRJRNWHATE-ILXRZTDVSA-N 384.473 0.817 30 10 GCEE COC(=O)[C@@H](CS(=O)(=O)N(C)CCC#N)NC(=O)OCc1ccccc1 2244222584 USHYJYVQHMZWDS-CQSZACIVSA-N 383.426 0.630 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@](C)(O)CO2)OC1(C)C 2255941025 FWFGPGMOUWSDJB-CQSZACIVSA-N 375.277 0.734 30 10 GCEE Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2267151656 ZKAZNLSDKKUPRL-SNVBAGLBSA-N 388.320 0.763 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COC[C@@H]3CO)s2)OC1(C)C 2267372672 RTUJMHYWRPRPMF-QWRGUYRKSA-N 389.304 0.333 30 10 GCEE CN(C)C(=O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267468678 XLATZATUDLLFJT-UHFFFAOYSA-N 388.320 0.555 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2267478619 AGNBCPVXQHACHU-JTQLQIEISA-N 386.304 0.701 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3[C@H]4CNC[C@H]43)s2)OC1(C)C 2267713545 PSRUGKXSNBCOKR-ZSBIGDGJSA-N 384.332 0.791 30 10 GCEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CNC1 2267716055 HHUDVNDZYGSXPX-SNVBAGLBSA-N 388.320 0.048 30 10 GCEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2271138076 NBCQGBZGKHWTFO-KWBADKCTSA-N 389.304 0.474 30 10 GCEE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2281489877 PHNJZDMRAQPHIO-STQMWFEESA-N 382.291 0.629 30 10 GCEE 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396.488 0.743 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CCN1C1CCOCC1 1255812465 JVSWNJQUVVJGRL-CQSZACIVSA-N 375.477 0.691 30 10 GCEE C=C(C)COCCNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 1261164649 YTOXASIJHCBOSG-UHFFFAOYSA-N 385.415 0.631 30 10 GCEE C=C(C)Cn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(c2nccnn2)CC1 1263340657 QMFNMZJJWASFJO-HUUCEWRRSA-N 385.476 0.103 30 10 GCEE C#CCN1CCN(c2nnc(C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286472163 FGOYJVWEJXBQSP-UHFFFAOYSA-N 388.497 0.232 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@]2(O)CCOC2)CC1 1286492922 BVCHLQSKOIOAKC-FQEVSTJZSA-N 387.484 0.348 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)C(=O)C1 1286788597 ZKZZAXCKYOFUCI-CQSZACIVSA-N 388.472 0.285 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCOC1 1286819563 OFZNNVSQXWFESV-KGLIPLIRSA-N 397.501 0.303 30 10 GCEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H](C)N(CCO)C[C@@H]3C)CC2)o1 1299565317 SEEYAJBEBXDTHC-KBPBESRZSA-N 375.473 0.985 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c1 1303880939 GQZPLHFSXAUWQK-UHFFFAOYSA-N 386.495 0.541 30 10 GCEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CN(C)C1=O 1306154471 ZAAQHNLABNFTIA-IBGZPJMESA-N 381.440 0.854 30 10 GCEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1313492181 NYANPYIFUQMSBB-IYBDPMFKSA-N 382.424 0.904 30 10 GCEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CCO1 1315006814 IDFBUYPBFIXQMT-BBRMVZONSA-N 384.440 0.803 30 10 GCEE CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1316361840 GEUMTDZMSSHTLA-MRXNPFEDSA-N 393.448 0.255 30 10 GCEE C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1320233614 VCHQWAJUUYGYJG-IUODEOHRSA-N 384.396 0.388 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(OCC#N)c1 1320908696 RVZWRORTKRWRSU-CHWSQXEVSA-N 376.413 0.844 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 1321952748 RYWAVDFFDHPESD-INIZCTEOSA-N 395.481 0.156 30 10 GCEE C#CCN(C(=O)C(=O)NCC1(c2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 1322478981 JCDXMYWCDJOURV-INIZCTEOSA-N 388.489 0.792 30 10 GCEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[C@@H]1COCCO1 1323856655 BKLYMINXYPVZLE-KRWDZBQOSA-N 382.486 0.826 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)CC1 1328540164 ZXPIKSQGOUCOCM-ZNMIVQPWSA-N 388.493 0.888 30 10 GCEE N#Cc1ccccc1CSCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1328904606 OESGYDVDLDUHTH-XSKAOVLVSA-N 377.491 0.639 30 10 GCEE COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NCC3(C#N)CCCCC3)C2)nn1 1333245541 ADTVEDBBLFQWFJ-CYBMUJFWSA-N 388.428 0.428 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2S(=O)(=O)CC)C1 1337940118 DEOOHCGVKAWLQO-MRXNPFEDSA-N 394.493 0.942 30 10 GCEE C=CCn1c(N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)nnc1C(C)(C)COC 1339484470 GODHCQMFGDYSHM-CHWSQXEVSA-N 380.445 0.787 30 10 GCEE C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCC[C@H](CS(=O)(=O)NC)C1 1339505410 NVBNAHIJRCPAGV-UONOGXRCSA-N 396.517 0.175 30 10 GCEE C=C(C)Cn1c(N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)nnc1[C@@]1(O)CCOC1 1345887798 OZKGHEMGESJMSU-JKIFEVAISA-N 382.486 0.333 30 10 GCEE COC(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1346035422 IJCOWIUYAXMARP-CQSZACIVSA-N 385.424 0.060 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)N1CCOCC1 1347176382 LDHNXMDPASIFIC-IKGGRYGDSA-N 377.485 0.385 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 1348778129 TZXOKFLLFXIRKX-INIZCTEOSA-N 391.468 0.921 30 10 GCEE COC(=O)C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C1CC1 1350918242 ZLLIMVFDDIVZTC-SJORKVTESA-N 387.436 0.756 30 10 GCEE C#CCN1CCC(c2nnc(N3C[C@H]4CS(=O)(=O)C[C@H]4C3)n2CC=C)CC1 1351929667 USPGUTVYOLAUOA-CALCHBBNSA-N 389.525 0.758 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358977963 AQTJFIOWFAUNBX-HZPDHXFCSA-N 391.497 0.136 30 10 GCEE N#C[C@]12CN(C(=O)CCn3cc(Br)cn3)C[C@H]1CS(=O)(=O)C2 1439794615 IPELYCMXMAGVEE-GXFFZTMASA-N 387.259 0.432 30 10 GCEE N#Cc1ccccc1COc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1454155276 BRZSHDCBCRWJFZ-HDICACEKSA-N 392.415 0.796 30 10 GCEE Cn1cc(S(=O)(=O)NCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cn1 1455000729 IAMMRLLTTZQKNR-UHFFFAOYSA-N 399.436 0.454 30 10 GCEE C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)c1cccc(Br)c1C#N 1464108996 ATVLUSALACIKIK-TVQRCGJNSA-N 375.244 0.827 30 10 GCEE C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)CC1 1465396723 OMWFKSMTKFDXLD-INIZCTEOSA-N 387.484 0.486 30 10 GCEE N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(=O)c2ccco2)c1 1490777080 RFIWYWPHRWLXLI-NFAWXSAZSA-N 381.392 0.771 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCSC[C@@H]1C 1508071475 JTCQBIMXFAFRLZ-ZDUSSCGKSA-N 378.502 0.758 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)COC2)C1 1508111235 XPDJCIISOBFQDW-KBPBESRZSA-N 399.517 0.706 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nccn1C 1522345249 ZEQWQUMZBCQTEC-MTSZKFMLSA-N 388.468 0.776 30 10 GCEE C=CCC1(O)CN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1 1529002606 ZSMOQLGUOOBLIP-UHFFFAOYSA-N 383.470 0.028 30 10 GCEE CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCNC1=O 1540647828 KNHXOIANMFDCLB-SFHVURJKSA-N 390.465 0.307 30 10 GCEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCn2cncn2)c1 1555986247 GLQUMXAFTHNUOG-UHFFFAOYSA-N 391.439 0.810 30 10 GCEE COC1(OC)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H]1O 1557155692 PUUIIGGKWFTCPM-INIZCTEOSA-N 396.465 0.960 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOC2CCSCC2)c1 1559043021 NPAYXYNDZQPDGK-UHFFFAOYSA-N 383.495 0.865 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCn3nncc3C2)C1 1564531550 ULDKJFNJSFNOSB-JSGCOSHPSA-N 375.433 0.952 30 10 GCEE CC(C)C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCCCC1=O 1585660586 QPHBRKJUXSETIN-RLFYNMQTSA-N 381.498 0.810 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC)nn2)ccc1F 1586389671 LAJZDDDHZSCGCA-UHFFFAOYSA-N 393.400 0.692 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2O)CC1 1588199608 VHPFSZZASBEJKH-UHFFFAOYSA-N 395.485 0.014 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1596784029 XTFGQZHYODXYFM-ZDUSSCGKSA-N 397.505 0.049 30 10 GCEE N#C[C@]12CN(C(=O)c3cnc4c(c3)NC(=O)CS4)C[C@H]1CS(=O)(=O)C2 1598567555 KVPDDOVMPTUOGV-ZUZCIYMTSA-N 378.435 0.136 30 10 GCEE Cn1cc([C@@H]2CN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C(N)=O)cn1 1615273811 LCLGUUZCSUCHKV-KSZLIROESA-N 378.436 0.598 30 10 GCEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](F)COC)CCOC1 1616262985 LGAMQZYMJWWONB-JJRVBVJISA-N 383.424 0.643 30 10 GCEE Cn1c(=O)nc(O)c2cc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cnc21 1630761711 AXNPMZJYJSNSJL-UHFFFAOYSA-N 376.376 0.842 30 10 GCEE COCN1C(=O)CCc2cc(NC(=O)CCn3cc(C#N)c(O)nc3=O)ccc21 1633223654 QAIKFQKXCKULCW-UHFFFAOYSA-N 397.391 0.732 30 10 GCEE CC#CC[C@H](CO)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1644467282 YXMDHNOWHBAJJJ-KGLIPLIRSA-N 388.486 0.301 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)c1 1645401180 PJWBLQFWVAXCJN-AWEZNQCLSA-N 378.454 0.317 30 10 GCEE C=CCC1(O)CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 1648366152 FZKKDJNCQPOIJW-UHFFFAOYSA-N 378.473 0.371 30 10 GCEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 1648962984 HDIWYGPVJIXLGN-UHFFFAOYSA-N 392.481 0.220 30 10 GCEE C#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 1654183021 VPGUBEXMMYNPFC-OAHLLOKOSA-N 386.495 0.435 30 10 GCEE COc1ncc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1C#N 1664601799 CGQWOHCCQKFCMI-UHFFFAOYSA-N 379.442 0.994 30 10 GCEE N#Cc1cn(C2CN(C(=O)N[C@@H]3c4ccccc4OC[C@H]3F)C2)c(=O)nc1O 1685254568 ULBSSYYDKLTWBU-UKRRQHHQSA-N 385.355 0.859 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncc2cccnc21 1686004933 BURLKIXZGPYRLK-SIXLDLHFSA-N 381.436 0.718 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCN(C)C1=O 1686161237 SVOIEISLTNQHRB-TWMKSMIVSA-N 375.469 0.533 30 10 GCEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N(C)C 1690079991 CBWPYMYWXBBILG-UHFFFAOYSA-N 376.486 0.615 30 10 GCEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1705558802 ISSBLBPEGDJADZ-ILXRZTDVSA-N 382.486 0.506 30 10 GCEE C#CCN1CCN(c2nnc(COCC)n2CC2(S(C)(=O)=O)CC2)CC1 1705642836 JBOCXEKUGJCPOO-UHFFFAOYSA-N 381.502 0.147 30 10 GCEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705754674 CYBMPMQEDZRBOK-LBPRGKRZSA-N 380.880 0.766 30 10 GCEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)N1CCOCC1 1712507707 HADKNTDDIHPERM-HUUCEWRRSA-N 394.476 0.457 30 10 GCEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1712531761 YDDTVIFGJCMHHT-JEBQAFNWSA-N 394.451 0.922 30 10 GCEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1CC 1719840139 NJCZIUQLELNOKP-OWSLCNJRSA-N 379.501 0.938 30 10 GCEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C1CC1 1722373574 KEAMUOXSUMCQGS-HXUWFJFHSA-N 385.468 0.529 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)CCCOC)CC1 1722441847 VPNLZYICBFJURK-GOSISDBHSA-N 390.532 0.853 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722693943 GEQBCQVZXTUTGT-HNNXBMFYSA-N 379.424 0.431 30 10 GCEE C#CCNC(=O)CN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1724895654 WCKAUUHIJTZGCI-NHHWGVFUSA-N 393.487 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C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)OC)CC1 1740955734 DUWYCCAOUOGDMD-UHFFFAOYSA-N 386.456 0.975 30 10 GCEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1744306772 YHFCKTLKHLOARZ-HSIZOEMOSA-N 378.469 0.567 30 10 GCEE C#CCN(c1nnc(CC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1748818304 YVJVLUXUERFUNT-ZDUSSCGKSA-N 381.502 0.239 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 1748971635 XLWWLMDTMVCWRR-GOSISDBHSA-N 399.543 0.754 30 10 GCEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCOC2)nnc1[C@]1(OC(C)C)CCOC1 1749681506 CWEBULXJISNAAD-KXBFYZLASA-N 393.488 0.846 30 10 GCEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)NC(C)C 1760224236 CIPDOLDOPNHMAP-UHFFFAOYSA-N 384.506 0.204 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1760456198 JCEQSZILUSEHMW-KBPBESRZSA-N 386.522 0.231 30 10 GCEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1760509416 DDURHNUGKWYJFP-UHFFFAOYSA-N 388.428 0.663 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 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CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 1892604386 LWDKUHYQHHMPOX-NEPJUHHUSA-N 388.442 0.003 30 10 GCEE C=CCN(CCO)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2060051605 XUIHTSSCEHVHQF-CYBMUJFWSA-N 376.475 0.418 30 10 GCEE C=CCN(CCC(=O)N[C@@]1(C(=O)O)CCS(=O)(=O)C1)C(=O)OC(C)(C)C 2123977362 FKAKRQBHDNVWCN-INIZCTEOSA-N 390.458 0.558 30 10 GCEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccc(C#N)cc2N)C1 2162583313 XXJGLYUBYQURMS-UHFFFAOYSA-N 396.469 0.791 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2N)C[C@H](O)C1 2162924050 DKKBPSJEDWEFTE-CYBMUJFWSA-N 396.469 0.743 30 10 GCEE CN1CCN(C(=O)CN2CCC(CNC(=O)OC(C)(C)C)CC2)C[C@@H]1C#N 2181100570 KKRHARWLWNYCGT-INIZCTEOSA-N 379.505 0.889 30 10 GCEE C=CC1(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CCOCC1 2197441137 WETYKXWSMMUWOD-LIRRHRJNSA-N 384.473 0.818 30 10 GCEE CN(CCC#N)C(=O)CN1CCn2c(CNC(=O)OC(C)(C)C)nnc2C1 2203315527 LIAXOVZGWBLAIY-UHFFFAOYSA-N 377.449 0.490 30 10 GCEE C#CCCN1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 2204218292 UCGGADNQTBHOTG-CABCVRRESA-N 378.473 0.278 30 10 GCEE C#CCCN1CC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 2204218928 DUZBPGCZWQONAG-LSDHHAIUSA-N 399.513 0.138 30 10 GCEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CCO[C@]2(C#N)C1)C1CS(=O)(=O)C1 2237780461 ARSCISAATAQDCT-IIYDPXPESA-N 399.469 0.065 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNS(=O)(=O)c2cncc(C#N)c2)C1 2238481946 XVKOOTBEIKHEAV-QGZVFWFLSA-N 396.469 0.994 30 10 GCEE Cc1cc(S(=O)(=O)NS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2248581818 LPOLHFTXMLDSLU-UHFFFAOYSA-N 381.306 0.594 30 10 GCEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@H](C#N)C1)NC(=O)OCc1ccccc1 2249449450 DDAVMNOVXIMKLD-HUUCEWRRSA-N 395.437 0.630 30 10 GCEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CC(=O)NC3=O)c2Cl)OC1(C)C 2267109560 RILCMKMTHGZKNO-MRVPVSSYSA-N 384.650 0.846 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cscn1 2267375933 OJRLHXMTQXRAQE-UHFFFAOYSA-N 384.292 0.654 30 10 GCEE 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30 10 GCEE CS(=O)(=O)[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H]1C(F)(F)F 1460421132 YEUQQTRYBDGJLW-GHMZBOCLSA-N 389.359 0.714 30 10 GCEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1462270778 IGANHMNEYJQJAQ-OAHLLOKOSA-N 379.438 0.755 30 10 GCEE CO[C@@]1(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CCS(=O)(=O)C1 1471402914 PQICQUAIICSJHA-SJLPKXTDSA-N 393.465 0.845 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(=O)NCC34COC4)n[nH]2)c1C 1471548557 SCNPTHVBVSADPS-UHFFFAOYSA-N 384.440 0.807 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCS(C)(=O)=O)C1 1490434298 CIFNCMFDIYOQPP-FPCVCCKLSA-N 386.514 0.613 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1507600039 BEALRUYYWZCMHQ-CQSZACIVSA-N 396.517 0.360 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1507710069 CFMOEBSMJVKIPO-HOTGVXAUSA-N 396.513 0.835 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1507845135 WVABDTTXWQTQLC-HUUCEWRRSA-N 384.502 0.998 30 10 GCEE 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CS(=O)(=O)CCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@](F)(C#N)C1 1712702288 MDHZRPZESSMLCH-INIZCTEOSA-N 396.448 0.776 30 10 GCEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@]2(O)CCN(C)C2)c1 1722307301 LHCOQGPDWHRFJJ-OAQYLSRUSA-N 396.495 0.963 30 10 GCEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnnn1CC1CC1 1722342080 KENOOELAYRJKFR-UHFFFAOYSA-N 392.427 0.440 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCn2ccnc2C)[C@H](OC)C1 1739582411 WOIUTQHDYDYOME-ZJPYXAASSA-N 390.484 0.905 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1740539641 VDLKTCIKQPNRPP-KSSFIOAISA-N 396.513 0.965 30 10 GCEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740612559 VLGVLBNKELOXDJ-HNENSFHCSA-N 391.435 0.860 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccs1 1740646171 RLRGGDKNUNFKSJ-CYBMUJFWSA-N 392.510 0.856 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)Cc1cnn(C)c1 1749663447 FTUXGCWRMNORRQ-UHFFFAOYSA-N 381.444 0.797 30 10 GCEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(O)CCOCC1 1760250927 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C#CCN1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 121735592 DNNNIRWHXRYRTI-INIZCTEOSA-N 395.550 0.515 30 10 GCEE CC[C@@]12C(=O)O[C@H]3CCN(C)CC=C(COC(=O)[C@@](C)(OC1=O)[C@H]2C)C3=O 155779312 DEVNDOKWQVKIND-LYXXURBMSA-N 379.409 0.634 30 10 GCEE biogenic C=CCNC(=O)[C@H]1Cc2ccccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 169681627 UBHOBARJUXSAIG-ICSRJNTNSA-N 398.507 0.511 30 10 GCEE C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1 173775812 WXLSSGZSBNLCCN-MRXNPFEDSA-N 379.420 0.960 30 10 GCEE CNC(=O)CCCN(C)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 179008494 UIEIKYCCCURGGR-UHFFFAOYSA-N 375.448 0.804 30 10 GCEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1CCO 249541123 DZDFIJLIEWEOGR-IAGOWNOFSA-N 391.541 0.455 30 10 GCEE Cc1ccc(NC(=O)Cn2ccnc2C#N)cc1S(=O)(=O)N1CCOCC1 267895144 BJTMLJMBGCGYEN-UHFFFAOYSA-N 389.437 0.723 30 10 GCEE C[C@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 270677621 RVGSPBPKHDJMNC-CZUORRHYSA-N 378.454 0.752 30 10 GCEE N#Cc1cnn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 282290109 QHSKALNJBWOSJO-UHFFFAOYSA-N 375.410 0.414 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 287678957 SNDKVILSLJDOHH-HNNXBMFYSA-N 379.424 0.519 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 289887085 AHQVSJCHVMZTHB-CYBMUJFWSA-N 384.506 0.523 30 10 GCEE Cc1nn(C)c(C)c1[C@H]1[C@H](/N=C(/O)N2CCS(=O)(=O)C[C@H]2C)CC(=O)N1C 330123661 ATLGCVLGLBQDOE-CKUKBARFSA-N 397.501 0.342 30 10 GCEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC(=O)NCC#N)[C@H]2CCCO[C@@H]2C1(C)C 376204654 FCNBIBLZCVQOPL-PJFSTRORSA-N 394.472 0.841 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N(C)Cc1cn(C)nc1C(F)(F)F 409504215 TZJVVSKIOKCUIE-UHFFFAOYSA-N 383.396 0.978 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c1 416298001 QEWQAZYJGZQULG-LSDHHAIUSA-N 381.498 0.678 30 10 GCEE Cc1c(NC(=O)C(=O)N[C@H]2CCCNC2=O)ccc(Br)c1C#N 425740767 MFHJIDBUIYKOJN-LBPRGKRZSA-N 379.214 0.963 30 10 GCEE Cc1c(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)ccc(Br)c1C#N 425770201 OOFIPRSXXITTPK-NSHDSACASA-N 393.197 0.489 30 10 GCEE C[C@@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)S(N)(=O)=O 442348778 LHZYAJUISLAWRB-AWEZNQCLSA-N 385.445 0.818 30 10 GCEE COCCO[C@@H]1C[C@@H](CO)CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 447392581 IIDJGZFJWJWABP-IAGOWNOFSA-N 382.482 0.678 30 10 GCEE CCN1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 470941200 UDSLGSYPFPDVAE-UHFFFAOYSA-N 381.396 0.158 30 10 GCEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 508827755 SFNSYODERFTEGR-KRWDZBQOSA-N 398.467 0.978 30 10 GCEE CC(C)[C@@H](NC(=O)c1cc(C#N)ccn1)C(=O)N(C)Cc1nnc2n1CCC2 509421797 IMJBNDDGPRBYJY-QGZVFWFLSA-N 381.440 0.904 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 522872475 ZTWNQLXGCVHAJW-UHFFFAOYSA-N 387.484 0.769 30 10 GCEE CO[C@@H](CS(=O)(=O)Nc1c(C#N)c(CCCNC(C)=O)nn1C)C1CC1 573490061 JLFCVGHDALTHFU-HNNXBMFYSA-N 383.474 0.527 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 577682616 HONQDBVQLNAPQX-HNNXBMFYSA-N 399.517 0.538 30 10 GCEE CC1(C)SC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 581321454 LVVUXTITQLECMF-LBPRGKRZSA-N 375.497 0.661 30 10 GCEE CC(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 593580868 NGQFFSYDVOHCJN-OAHLLOKOSA-N 395.423 0.981 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 595171170 YLNIEIPXYPZXIZ-GFCCVEGCSA-N 394.453 0.388 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC3(COC3)C2)c1 595953036 DJVATVFONYGPQY-UHFFFAOYSA-N 385.467 0.242 30 10 GCEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 599412170 GPXVSRHZMWVLLZ-OAHLLOKOSA-N 383.437 0.694 30 10 GCEE CNS(=O)(=O)C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 599692518 URKOJUBNURTFRE-OAHLLOKOSA-N 385.511 0.593 30 10 GCEE C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CN1 599962735 UIRPCZGFLNOQGA-GXTWGEPZSA-N 386.456 0.329 30 10 GCEE CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 600102207 IEJUZAPJQSKDTG-INIZCTEOSA-N 395.423 0.595 30 10 GCEE CC(C)[C@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC2COC2)c1 600762806 INGHVMLWODWQEZ-HNNXBMFYSA-N 387.483 0.438 30 10 GCEE CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2O1 609256199 XRFJNLMZIYKHOU-KRWDZBQOSA-N 396.378 0.854 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCn2cc(Br)cn2)CC1 614545359 OOZFDKHNTGTWSE-UHFFFAOYSA-N 384.278 0.482 30 10 GCEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@@](F)(C#N)C2)CC1 615583707 WAOIGGUDBBFJSC-MRXNPFEDSA-N 383.449 0.891 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 665757628 QSPJOKHJKSBJBK-SJORKVTESA-N 376.501 0.614 30 10 GCEE C#CCN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@H]1CCS(=O)(=O)C1 737810621 QBLFZHWXCOXLRS-ZDUSSCGKSA-N 379.413 0.618 30 10 GCEE C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755186809 UMDXAQDHMCWLKC-CHWSQXEVSA-N 381.429 0.183 30 10 GCEE CN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 756033581 YJMGBPLPFJMDMI-JXAWBTAJSA-N 379.442 0.763 30 10 GCEE C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[C@@H]1N1CCN(C)CC1 764188492 QXALBYWRCCDSES-YOEHRIQHSA-N 377.514 0.668 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(CCOC)nn2C)c1 768343251 GVNYTGXLEVWGHY-UHFFFAOYSA-N 376.438 0.773 30 10 GCEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H](O)c2ccc(C#N)cc2)C1 780920927 HQDDKYGAOYUJBF-FUHWJXTLSA-N 387.436 0.852 30 10 GCEE C#CCN1CCC(C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)CC1 787921315 CDBUDFHRVORHJJ-IBGZPJMESA-N 379.464 0.987 30 10 GCEE C[C@@H](C(=O)OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cnc(C#N)n1 798747489 IYZNXDWVSFYVAY-SWLSCSKDSA-N 387.371 0.993 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CCCCN2CC)n1 804416493 ONHIFBNAMOUJQU-GOSISDBHSA-N 389.500 0.482 30 10 GCEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(O)C2=O)cc1 816753416 HQTJOGKQWATVMZ-HNNXBMFYSA-N 383.470 0.975 30 10 GCEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(O)C2=O)ccc1[N+](=O)[O-] 820178752 AEZFRPLQOHDPJC-GXTWGEPZSA-N 376.369 0.614 30 10 GCEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 827729591 MHDLHHPCZKBHGL-LSDHHAIUSA-N 381.473 0.904 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CCCC1 839359324 GUHLSGUEEDSKJE-UHFFFAOYSA-N 383.452 0.234 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H](C)O[C@H](C3CC3)C2)n1 839369931 KDXRWJDXLJVYFC-YJBOKZPZSA-N 388.468 0.517 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 843254017 RQLGGPVEQSHSEQ-OAHLLOKOSA-N 385.424 0.900 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 846331240 SHAHZKHXRLMZGA-OALUTQOASA-N 399.422 0.909 30 10 GCEE C#C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 847319146 TXALUCIAWZKXFL-ZDUSSCGKSA-N 380.426 0.928 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 847545895 BXWPHTLQPULICE-QWHCGFSZSA-N 393.444 0.726 30 10 GCEE C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 848940958 CEDIVCLKAYYGLF-MRXNPFEDSA-N 397.478 0.243 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)n1 849589422 RFKDHHVVRWDSTM-UXHICEINSA-N 398.511 0.960 30 10 GCEE COC(=O)Cn1cc(CCn2cc(C#N)c(I)n2)nn1 849923529 AXPNKPAKEKNTEI-UHFFFAOYSA-N 386.153 0.367 30 10 GCEE N#CC1(CC(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCOCC1 850733988 BPDCAMAENKWXSB-UHFFFAOYSA-N 376.398 0.178 30 10 GCEE C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)O)nn1 852958511 MNZHCDWCKYVIPV-SCZZXKLOSA-N 375.307 0.200 30 10 GCEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 854764228 SVGCLUSYGZMNQV-AWEZNQCLSA-N 395.437 0.414 30 10 GCEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCOCC1 856109209 KHFLXAYLUZVDQX-SWLSCSKDSA-N 382.486 0.248 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 863432761 GQWQGVGXITZSBM-IAGOWNOFSA-N 389.477 0.595 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2csc(C)c2C)c(=O)n1CCOC 872324980 XSZFBGRQYMZWBD-UHFFFAOYSA-N 377.491 0.484 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H](n2ccnc2)C(F)(F)F)CC1 874382587 GHJGFOSIDKZTQS-AWEZNQCLSA-N 385.390 0.660 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)C3)cc1 874674907 KBZANRRPLMYHRQ-IMJJTQAJSA-N 376.434 0.764 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCCN(C2CCN(CC)CC2)CC1 875603053 PZKFEJKWJMCALM-QGZVFWFLSA-N 378.517 0.160 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 875607537 KRDPIDQLVYRKFC-HNNXBMFYSA-N 375.425 0.335 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC[C@H]2CC(C)(C)CO2)n1 898666034 MVXXFCCUDSXSHQ-KRWDZBQOSA-N 390.484 0.813 30 10 GCEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2cnn(CCF)c2)c1=O 901839975 BGCMMRADFAXUIO-UHFFFAOYSA-N 377.470 0.856 30 10 GCEE C=CCn1c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 908685094 SZTAZEHBSQHOMB-DAYGRLMNSA-N 396.513 0.986 30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)C1CCN(C)CC1 910887702 SNXOVQBVPRUXRY-RZQQEMMASA-N 377.485 0.337 30 10 GCEE C=CCN(C(=O)c1cc(=O)n(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 930377110 BWTHNOGTNHSVNI-SNVBAGLBSA-N 389.271 0.963 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12)C1CCN(C)CC1 931824378 YRBYIRCFUMBGQZ-DLBZAZTESA-N 378.542 0.238 30 10 GCEE C#CC1CCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1118242356 FOOYJPPPXCYPMK-CQSZACIVSA-N 376.434 0.209 30 10 GCEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)CC1 1118515661 QPEMPDWIRQWKHW-AWEZNQCLSA-N 378.379 0.694 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnnn2C[C@H]2CC[C@H]3C[C@H]2CO3)n1 1120344558 ZJSZSIKXVUQMMW-RYRKJORJSA-N 385.472 0.971 30 10 GCEE C#CCN(c1nnc([C@@H](C)c2cnn(C)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 1122059266 UZHPAGVIPVFYSL-DZGCQCFKSA-N 376.486 0.810 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CC(=C)C)C1 1122530356 FPPQYUZKCSLABI-AWEZNQCLSA-N 386.456 0.700 30 10 GCEE N#C[C@]1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCOC1 1135772777 LXTTZVNQKFPMRG-GOSISDBHSA-N 393.465 0.644 30 10 GCEE COc1cc(C(=O)NCC#C[C@H]2CCCCO2)cc(OC)c1OCC(N)=O 1180362555 DCQSDHKOHOISTN-CQSZACIVSA-N 376.409 0.870 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)C1CCN(C)CC1 1262536292 FNNHVBNGNRMPDQ-MRXNPFEDSA-N 376.501 0.306 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1262947969 YVEGROGAYOKJHS-ZACQAIPSSA-N 388.516 0.944 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(CN3CCC(C(N)=O)CC3)n2CCOC)C1 1263269071 JVTSDVHPZSXSCC-MRXNPFEDSA-N 392.504 0.403 30 10 GCEE C#CCN(c1nnc(C2(O)CC2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1263593524 JODCONSBLXXMOA-LSDHHAIUSA-N 394.497 0.455 30 10 GCEE O=C(CN1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)NCC#Cc1ccccc1 1276890624 DJYAMNDHWDCJDO-NHHWGVFUSA-N 393.487 0.768 30 10 GCEE C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC)OCC 1282750489 WUBKJQKHXJHGFB-LVQVYYBASA-N 380.489 0.925 30 10 GCEE N#Cc1ccc(F)cc1CN[C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1283786338 YZAYWDDMNKHKKX-XOYOTBSWSA-N 377.416 0.316 30 10 GCEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 1286661120 XZGDQYCDMXJBRE-CQSZACIVSA-N 396.517 0.523 30 10 GCEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1286755979 FNEPYUSIQHTLGY-UONOGXRCSA-N 379.486 0.842 30 10 GCEE COCCN(CC#N)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1298925045 UKKGUFPBWNXULE-UHFFFAOYSA-N 387.483 0.310 30 10 GCEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnn(C)n1 1301370718 JEQAQSZVPOBHRB-UHFFFAOYSA-N 380.416 0.676 30 10 GCEE 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397.435 0.842 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)NCC2CCC(S(C)(=O)=O)CC2)CC1 1340955247 LFGLDXFSSYOVIU-UHFFFAOYSA-N 399.557 0.863 30 10 GCEE C=CCn1c(N2CCN(CCOC(C)C)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1342385019 NEGYTJXHMGOGHP-YLJYHZDGSA-N 392.548 0.923 30 10 GCEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1343893103 KAZIPDJSJTZHLM-ZIAGYGMSSA-N 385.490 0.460 30 10 GCEE C#CC[C@H](CC)c1nnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1C[C@H]1CCOC1 1344496581 BSYJPTMDOQZVES-QZWWFDLISA-N 387.484 0.925 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 1344932254 UTJAQOZGJAUKTR-INIZCTEOSA-N 375.425 0.804 30 10 GCEE C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@]2(C)C1 1345933076 YOLBQWZOONAMOZ-ASKKUZCQSA-N 375.469 0.235 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 1346567266 RBIGUPPKIZMTPM-AWEZNQCLSA-N 383.514 0.567 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)N2)n1C[C@@H]1CCOC1 1348991697 ZRWLZQZJBBIALG-LSDHHAIUSA-N 377.470 0.142 30 10 GCEE 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C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](COCC)C1 1508070864 FQWMTWMUWCNCCO-AWEZNQCLSA-N 378.477 0.581 30 10 GCEE O=C(C#CC1CC1)N[C@@H]1CN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]1O 1513512680 VRPBTZADLBHJTF-LJISPDSOSA-N 388.386 0.978 30 10 GCEE C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N1CCN(CC(N)=O)C(=O)C1 1515333103 NAIXDTUFYOKKAQ-GFCCVEGCSA-N 382.415 0.891 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2 1515955301 DLGCYGNAWFQFJR-UHFFFAOYSA-N 385.424 0.667 30 10 GCEE C=CCn1c(-c2nc(O)c(C)s2)nnc1N(C)CC(=O)N1CCOCC1 1520409600 FSPIKXAOCQRFFQ-UHFFFAOYSA-N 378.458 0.897 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCNC(=O)C2CCC2)[C@@H]1C 1521113230 JIHLGYPHEVCYQJ-SIXLDLHFSA-N 377.485 0.990 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 1540863001 NIJWXSWRXNQTND-KGLIPLIRSA-N 398.533 0.817 30 10 GCEE C=CCCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)nn1 1561819847 MCRMLBXCKNMGGZ-UHFFFAOYSA-N 399.498 0.583 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1570834133 VEEISZRIFHRYHR-INIZCTEOSA-N 378.392 0.430 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nnn(C)n1 1587639759 MUDBYPGMROINMW-WFASDCNBSA-N 380.412 0.820 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1596850421 NRVHRQOIRVFWJO-RWMBFGLXSA-N 375.433 0.714 30 10 GCEE N#Cc1cn(CCC(=O)NCCc2ccc(C(F)(F)F)cn2)c(=O)nc1O 1597455047 ANNQHWCGWOEHHW-UHFFFAOYSA-N 381.314 0.983 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)C1=O 1602778024 POIOSFCGKLDZEK-VXGBXAGGSA-N 392.412 0.183 30 10 GCEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@]2(O)CCSC2)cc1 1620349603 POWDZGPMXKKKFU-DNVCBOLYSA-N 398.492 0.996 30 10 GCEE C#CC1(O)CN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 1622647578 SYOIMZBHQBHKMP-MRXNPFEDSA-N 378.450 0.797 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)CSC2=O)c1 1625188823 BYKZMEYWFBSFBZ-UHFFFAOYSA-N 385.398 0.548 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCc2nn[nH]n2)c1 1625969600 GUFKBPRAJFLSJG-HKWRFOASSA-N 391.457 0.974 30 10 GCEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CN(C)CCN1C 1628389938 GGOCQDCNPQAKFL-PBHICJAKSA-N 393.513 0.243 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)cc1 1635241561 IRZIBZDTPOHKEV-RBVVOMGSSA-N 381.454 0.273 30 10 GCEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1636223580 CAXZDKACYMTEOW-OXQOHEQNSA-N 396.447 0.757 30 10 GCEE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821667 IXNASLMKWPGVDM-HPSYPLPISA-N 397.522 0.641 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nn(C)cc2C(=O)OC)cc1 1641018468 GNDTUILBGCJVHM-UHFFFAOYSA-N 378.410 0.923 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)c1cc[nH]n1 1641183843 MXTHZEUVRNXTEV-AWEZNQCLSA-N 382.417 0.786 30 10 GCEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 1654471758 BDLDOHUWNSEVSO-YPMHNXCESA-N 397.453 0.757 30 10 GCEE C#CCN(C(=O)NCCc1ccccc1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1675917752 VNRNSENDEVIONB-OAHLLOKOSA-N 398.506 0.465 30 10 GCEE Cn1ccn2c(CNC(=O)N3CCN(c4ccccc4C#N)CC3)nnc2c1=O 1683683125 DKODVRHASNBNJZ-UHFFFAOYSA-N 392.423 0.331 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCCNC(N)=O)C[C@H]21 1683886115 GEPNCQRATVYXHE-FPCVCCKLSA-N 378.473 0.475 30 10 GCEE N#C[C@@]12CN(C(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)C[C@H]1CS(=O)(=O)C2 1686863232 DTHHRVIAZHBXCU-LHHMISFZSA-N 390.465 0.881 30 10 GCEE N#C[C@@]12CN(C(=O)NCCc3ccnn3-c3ccccc3)C[C@H]1CS(=O)(=O)C2 1687641547 QBTREFMSYZOCFI-KXBFYZLASA-N 399.476 0.995 30 10 GCEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCN(C)C1 1690049951 NDHJEEYLYLAMSP-NRFANRHFSA-N 378.480 0.793 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(CC)s1 1690102516 NHQWGYUYVUVZKX-GFCCVEGCSA-N 389.485 0.777 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1691001355 HRSIDFBFZWMJOL-KGLIPLIRSA-N 376.461 0.757 30 10 GCEE Cc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693480666 WJJAIBOWJXDJPU-WPIBOPBSSA-N 386.456 0.976 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1706747891 QTVSJGHJLASIJU-UONOGXRCSA-N 384.506 0.802 30 10 GCEE CC(=O)N1CCO[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C#CC(C)(C)C)C1 1719823759 ACZMBLYGLSFMHM-QZWWFDLISA-N 375.469 0.531 30 10 GCEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1722679890 PARDUYXZAYBRMW-OAHLLOKOSA-N 399.455 0.410 30 10 GCEE C#CCNC(=O)CC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1735499167 MXWDOPGQHIFUFL-SUFIHLRJSA-N 399.491 0.437 30 10 GCEE C#CCOCCC(=O)NCCN1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1737337110 MWHCCWCENGDCGC-JENIJYKNSA-N 377.485 0.102 30 10 GCEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C(N)=O)s1 1740373123 JBRUBAHPRFKDNF-MXWKQRLJSA-N 378.479 0.965 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1 1740533842 UVHRUBRGLPQXDY-OLZOCXBDSA-N 396.517 0.392 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1740642720 UWZNNUIWVYLCBO-UHFFFAOYSA-N 378.436 0.196 30 10 GCEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C2COC2)nn1 1740889422 ASHLTWKXDDRTCS-UHFFFAOYSA-N 395.427 0.759 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1740956346 PNCFBMQMKAJEND-UHFFFAOYSA-N 398.467 0.718 30 10 GCEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CC)CC1 1760256424 GWCSHVGLTGHYAY-WOJBJXKFSA-N 391.516 0.846 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760257964 NCLAAPVFXQRIMZ-HNNXBMFYSA-N 388.497 0.463 30 10 GCEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1766899841 HKPUNRQCJBEISA-JKSUJKDBSA-N 387.488 0.469 30 10 GCEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1769700191 HAGMTIPGVQZHQX-MRXNPFEDSA-N 388.476 0.376 30 10 GCEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1851765853 JTWMPQBLLKFEQK-HNNXBMFYSA-N 377.470 0.416 30 10 GCEE Cn1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)nn1 1854446093 OCXSEZFLOZUNAJ-UHFFFAOYSA-N 382.424 0.829 30 10 GCEE N#Cc1ccc(CC(=O)N2CCN(Cc3nnc([C@H]4CCOC4)o3)CC2=O)cc1 1855916987 AATXKXQYGYOMPK-INIZCTEOSA-N 395.419 0.859 30 10 GCEE CC1(C)C(=O)N(C(=O)[C@@H]2C[C@H]2c2ccccn2)CCN1S(=O)(=O)CC#N 1856092071 HITRLURRCUHMDX-CHWSQXEVSA-N 376.438 0.488 30 10 GCEE CN(C[C@H]1CC(=O)N(C(=O)c2ccno2)C1)C1CN(c2nccnc2C#N)C1 1856265851 AXQUZMBKTKGULN-GFCCVEGCSA-N 381.396 0.146 30 10 GCEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2c1 1866042299 VXXUSIONLRPUQM-CABZTGNLSA-N 382.467 0.422 30 10 GCEE CC(C)(C)OC(=O)NCC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1885505132 VWCUVPMHBILNJT-KGLIPLIRSA-N 397.472 0.859 30 10 GCEE C=CC1(O)CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 1890669422 DIUQQOVAYSFTAU-CYBMUJFWSA-N 388.486 0.464 30 10 GCEE C=C(Cl)[C@@H](O)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2018391763 MUMMJYDLUDHJIN-LBPRGKRZSA-N 380.894 0.820 30 10 GCEE CC(C)(C)OC(=O)NCCC[C@@H](NS(=O)(=O)N1CC(C#N)C1)C(=O)O 2046100651 XNMNTHUCHDZIGS-LLVKDONJSA-N 376.435 0.034 30 10 GCEE CCOCCCS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2047616429 OPPOKBVHUNLXQU-UHFFFAOYSA-N 377.297 0.428 30 10 GCEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)C[C@H](C)C#N 2118164218 WUPNXWUKMFEFIL-CHWSQXEVSA-N 389.474 0.960 30 10 GCEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CC(C#N)C2)C[C@@H]2COC[C@@H]21 2118164609 ZQAMRRRYCNMVOJ-RDBSUJKOSA-N 386.474 0.301 30 10 GCEE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CC[C@@H](C#N)C1 2118171379 RARPLDVWZADORF-XJKSGUPXSA-N 388.490 0.692 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H]2COC[C@@H]21 2189097480 LHMZESFODJIYMU-UONOGXRCSA-N 394.453 0.962 30 10 GCEE CN(CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2199693653 NEIIEXRNKCNFHO-UHFFFAOYSA-N 382.291 0.607 30 10 GCEE C#CC1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2244225828 MIRKKTWWQGFNSF-HNNXBMFYSA-N 380.422 0.349 30 10 GCEE COC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255749903 ZIQSCURWCYQKQP-UHFFFAOYSA-N 375.277 0.889 30 10 GCEE 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PAHJPDJAJYXKQS-UHFFFAOYSA-N 382.490 0.516 30 10 GCEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 374506860 QOJSPKIRXDKOMA-HUUCEWRRSA-N 380.470 0.592 30 10 GCEE COCCNS(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404892956 CLDCSXFCLXHWTM-UHFFFAOYSA-N 390.336 0.960 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 408112442 KYQJYSZJCUJSOM-UHFFFAOYSA-N 388.449 0.712 30 10 GCEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C#N)n1C 421990216 OBSUHCMYVSZKSG-UHFFFAOYSA-N 391.409 0.855 30 10 GCEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC2)n[nH]1 440752677 ZRAANAIGYXLXIO-UHFFFAOYSA-N 387.831 0.921 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)n1 480789377 HGMKPIHHCODDCF-HNNXBMFYSA-N 379.424 0.519 30 10 GCEE COCCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n(C)n1 489334789 RMXMNKCZCQFUIU-GFCCVEGCSA-N 391.453 0.786 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491489184 ZBUNSYCVSKYGPY-UHFFFAOYSA-N 389.843 0.597 30 10 GCEE C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513293862 KTLWOOARWKHIQW-NSHDSACASA-N 382.359 0.618 30 10 GCEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 528751643 ZJEGNDOPHXLJIZ-UHFFFAOYSA-N 380.470 0.395 30 10 GCEE COC[C@H]1CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 567521209 URCINGZGONRKPA-GFCCVEGCSA-N 385.467 0.430 30 10 GCEE CONN(O)CC(=O)N=C1C=CC=C/C1=N\S(=O)(=O)c1ccc(F)cc1 575193142 YAAYTDYPMGFTEP-DICWZGCASA-N 382.373 0.806 30 10 GCEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1=O 593591094 RXAVAZDCVLZGPA-CQSZACIVSA-N 377.422 0.752 30 10 GCEE COCCOCCN1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 593666629 OCTRWVCHXKAJBM-UHFFFAOYSA-N 385.461 0.808 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](F)C2)c1 594631835 PXQXYOQXVOXOMH-NEPJUHHUSA-N 375.447 1.000 30 10 GCEE CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 595006017 DSEUHGKOUXVLKO-AWEZNQCLSA-N 378.454 0.969 30 10 GCEE C[C@]1(C#N)CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1 595213228 SRGIETARZXXRIJ-QGZVFWFLSA-N 391.453 0.567 30 10 GCEE CC(C)(C)OC(=O)CN1CC[C@@H](N(CCC#N)CCN2CCOCC2)C1=O 595335831 YGFAQXLKFBRAJK-MRXNPFEDSA-N 380.489 0.477 30 10 GCEE C[C@@]1(C#N)CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](C)(C#N)C2)C1 595372619 VLSWHLIHUZUTQW-GJZGRUSLSA-N 388.515 0.507 30 10 GCEE Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CC2(C#N)CCOCC2)cc1 600717118 IPGIMSIHOGGMEP-MRXNPFEDSA-N 381.498 0.934 30 10 GCEE C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@H](CNC(=O)NC)C1 624977522 MLJZTDMKWISMLN-RBSFLKMASA-N 378.477 0.881 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)cc2F)CC1 635074179 HWJGGTIBJOVHOV-UHFFFAOYSA-N 378.404 0.219 30 10 GCEE C=CC[C@@]1(C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCCN1 662568059 AFBVYTSBLMHEFM-ACJLOTCBSA-N 394.497 0.736 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669333683 USFQRSLDZNCNHT-GFCCVEGCSA-N 380.478 0.168 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCCN2CC3)c1 670406069 FUUDYUXLPPTSKZ-MRXNPFEDSA-N 378.498 0.271 30 10 GCEE C=CCOCCNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 679503967 NAZJZVHDAFICEW-UHFFFAOYSA-N 382.486 0.629 30 10 GCEE C#CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCS(=O)(=O)C1 731212778 LGYLHPSYNDPOAL-NSHDSACASA-N 395.393 0.384 30 10 GCEE CC(C)(C)CC(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465056 DCHSRMMEYNRBPF-MSUUIHNZSA-N 391.472 0.803 30 10 GCEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1C#N 746924767 COVIKPUQAHBKJE-LLVKDONJSA-N 377.426 0.284 30 10 GCEE CCc1nn(C)c(CC)c1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 754011877 CGSYJTFQEGRZMZ-PEZBUJJGSA-N 381.458 0.350 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccncc1OC)c1cc[nH]n1 772642191 WPYRYWYHFISDNS-LLVKDONJSA-N 375.385 0.975 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)C[C@@H]3CCCOC3)cc2C1=O 803001206 RUMUJFMAFRVTOJ-GFCCVEGCSA-N 392.433 0.955 30 10 GCEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 805782973 RBIPVLZJOFXQJU-KRWDZBQOSA-N 378.498 0.755 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@H](OC)C2(C)C)n1 809122425 PFFKZHOHODDZIM-HOTGVXAUSA-N 376.457 0.421 30 10 GCEE C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 828063031 LUIFRFUYLZPJMI-DOTOQJQBSA-N 399.557 0.863 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc1F 831302204 JXBVJLBLJHWFLN-IPYPFGDCSA-N 384.429 0.824 30 10 GCEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(S(N)(=O)=O)CC1 845386535 WMCGWJFGDVVWGU-UHFFFAOYSA-N 387.259 0.211 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 846270399 HUMXNTKAAFQNPT-INIZCTEOSA-N 393.465 0.086 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c1 848368276 LCNPILKWXYTNDG-CQSZACIVSA-N 377.422 0.311 30 10 GCEE C=CCCn1cc(COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nn1 848699130 GUHSVMBLXHZENG-UHFFFAOYSA-N 396.425 0.825 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@H]1F 851866052 JSGVKYOEPXGYGA-JHJVBQTASA-N 392.453 0.393 30 10 GCEE C#C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)C1CCOCC1 852645320 BLHCGHASPYMYPO-WMZOPIPTSA-N 394.516 0.283 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 853805848 RWSADAQEAIOCRU-DZGCQCFKSA-N 389.456 0.900 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[S@](=O)CC(F)(F)F)cc1 855280333 SDJFIKUKTPQPTN-DEOSSOPVSA-N 396.412 0.639 30 10 GCEE CCOC(=O)CON=C(C(=O)Nc1ccn(C2CCOCC2)n1)c1cc[nH]n1 855866323 RWHABEXGTDQGFT-UHFFFAOYSA-N 390.400 0.880 30 10 GCEE CCOC(=O)C12CC(CN1C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 856252823 XUOAZJGCAXDRFX-UHFFFAOYSA-N 377.422 0.279 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1 862194234 HFJUMLKPFRACOO-ZFWWWQNUSA-N 386.408 0.614 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1 862200065 SIHFISMAGQKWFA-CYBMUJFWSA-N 395.843 0.809 30 10 GCEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccnc(O)c2)CC1 863094250 OLAZQDHTDSHVHH-UHFFFAOYSA-N 376.442 0.564 30 10 GCEE C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN([S@](C)(=N)=O)CC1 873661248 DQIBMHYGQOWOIE-OACFQNQOSA-N 395.533 0.713 30 10 GCEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1C[C@@H](C(=O)OCC)C2(COC2)C1 873697083 VXIPUQRHZQIMME-LSDHHAIUSA-N 392.456 0.958 30 10 GCEE C#CCOc1cccc(NC(=O)C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c1 874329229 NMZHCDZWYPPQPR-KDURUIRLSA-N 390.461 0.920 30 10 GCEE C=C(C)C[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)C(=O)OCC 881754961 ANWOZROSPDVGPM-NSHDSACASA-N 379.438 0.926 30 10 GCEE C#CCN(C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CCN(C)CC1 886577279 CGZNIFDTCCVYCW-LJQANCHMSA-N 390.484 0.158 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3nc(C)sc32)CC1 894087998 CWNGISXSTVSAIS-AWEZNQCLSA-N 397.526 0.624 30 10 GCEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2nccc3c2CCCC3)c(=O)n1C 901814071 STQGQEZRVZXDCQ-UHFFFAOYSA-N 396.516 0.996 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc(C#N)c2)c1=O 901850841 REDMPSSNKOJFPG-UHFFFAOYSA-N 396.497 0.751 30 10 GCEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@](C)(C#N)C3)cc2CC1 907498595 RGNXBKRSAYFPPR-GOSISDBHSA-N 377.466 0.937 30 10 GCEE C=C1[C@H](C(=O)N2C[C@@H](O)CC(F)(F)C2)[C@H]1C(=O)N1C[C@H](O)CC(F)(F)C1 907663625 SORQRWCLUXJBHM-USZNOCQGSA-N 380.338 0.246 30 10 GCEE N#Cc1cc(CS(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)cs1 914328914 JXIOFMUQHLCYOU-UHFFFAOYSA-N 385.511 0.609 30 10 GCEE CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 921453384 LJKQAAMCCBPMNK-HZPDHXFCSA-N 379.486 0.490 30 10 GCEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3C(=O)NCC34CCOCC4)C2)c(F)c1 923937653 MSTJWWOXFRHCJG-PBHICJAKSA-N 386.427 0.935 30 10 GCEE C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CCCO1 930466616 KPDIEBGRPDXJLD-OWYFMNJBSA-N 391.468 0.940 30 10 GCEE C=CC1(CC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 935037450 XMKPSSSPFHCCCI-CYBMUJFWSA-N 387.502 0.950 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCOCC2(CCOCC2)C1 1116571103 DBXWSQCDLXZWRL-NXVVXOECSA-N 378.429 0.351 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1117177544 BRTVEDHPNYHLBG-QGZVFWFLSA-N 376.478 0.557 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)cc1 1117983312 CFNDLUUATLAKFH-INIZCTEOSA-N 392.406 0.431 30 10 GCEE C=C(C)Cn1c(N2CCO[C@@](C)(C(=O)OCC)C2)nnc1[C@@]1(C)CNC(=O)C1 1122631497 SINIKQATPOCDPK-RTBURBONSA-N 391.472 0.790 30 10 GCEE CC(=O)N1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1131440635 MYYIPMSJBUFEAI-ZBFHGGJFSA-N 383.408 0.500 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)cc1 1148168879 BZHAPUVHBVFFBA-OAHLLOKOSA-N 391.453 0.284 30 10 GCEE COC(=O)CCC1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCCC1 1156729313 KOYISLYJVXZEQT-UHFFFAOYSA-N 376.413 0.983 30 10 GCEE Cn1ccn2c(CCNC(=O)N[C@H]3CCc4cc(C#N)ccc43)nnc2c1=O 1248474503 ZSGQXWPKSZZFOG-HNNXBMFYSA-N 377.408 0.829 30 10 GCEE CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C[C@H]1CN 1261524919 NPGWOYCZBMCWBP-KZNAEPCWSA-N 386.452 0.280 30 10 GCEE C=CCCSCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1261716882 UUXSBSCWDMNQPB-QWHCGFSZSA-N 377.532 0.246 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC(CC(=O)N(C)C)CC1)C1CCN(C)CC1 1262536518 KGXYLWSPOKLOFO-UHFFFAOYSA-N 376.501 0.259 30 10 GCEE C=CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 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GCEE Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)n1 586863843 BRMROSUIFYFUDY-OAHLLOKOSA-N 398.398 0.359 30 10 GCEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccn2)n(CC)c1=O 588543620 QRRWDWBEOVMLNI-UHFFFAOYSA-N 379.445 0.927 30 10 GCEE N#Cc1cccc(CN2CCC(NC(=O)C(=O)NCCC3(CN)CC3)CC2)c1 593772243 MLWCDNAWBXNFBF-UHFFFAOYSA-N 383.496 0.884 30 10 GCEE CCO[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 595959330 NXJQSILMEAUXAF-JOCQHMNTSA-N 387.483 0.676 30 10 GCEE Cc1cnc2c(c1)N(S(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1)CC2 595965955 VHTKQFCNIOMXEZ-UHFFFAOYSA-N 398.510 0.648 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)cc1 597575122 LKHAZYOSJMEWSC-CVEARBPZSA-N 380.445 0.481 30 10 GCEE CO[C@@H](CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(F)(F)F 599042450 SKPPWIOXGOSGBF-JTQLQIEISA-N 375.307 0.354 30 10 GCEE COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 619076568 RZTJZZVUVIXHMA-UHFFFAOYSA-N 376.413 0.900 30 10 GCEE C=CCCn1cc(CS(=O)(=O)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)nn1 656176515 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C#CCN(C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 774254743 UIQWDMWIQJNLCG-HZPDHXFCSA-N 381.498 0.752 30 10 GCEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 775333941 XUZSYEWNLPQHKN-ZOFXXKQRSA-N 396.509 0.393 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 780979878 YPPPNGMMPAJOFC-INIZCTEOSA-N 396.488 0.487 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 783479220 BHENNOWQELIONZ-CQSZACIVSA-N 378.450 0.981 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCS(=O)(=O)C1 783480267 IYVGLGMJVZWILM-GFCCVEGCSA-N 395.393 0.191 30 10 GCEE N#Cc1ccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 791244516 YPAMUAJOWIAVMT-ZDUSSCGKSA-N 393.396 0.906 30 10 GCEE C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 793924126 MKKBUFMNHHCWPA-LBPRGKRZSA-N 378.454 0.242 30 10 GCEE Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)c(C)c1 800125580 SQSKMVGOALOZBI-CVEARBPZSA-N 392.481 0.776 30 10 GCEE C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 800660998 NYFIVGCXAGTMFS-CJNGLKHVSA-N 393.465 0.471 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C3CC3)n(C)n2)n1 810406226 YONFTQVIEOXRSP-UHFFFAOYSA-N 384.440 0.741 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CCS(=O)(=O)C1 815590718 GOZQNQSOGIKYCU-NVXWUHKLSA-N 390.461 0.778 30 10 GCEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 819463152 GSJHWBYSOAMSPW-LJQANCHMSA-N 383.408 0.038 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C#N)C1 832162867 LHYODKCVVMUCCV-CHWSQXEVSA-N 391.432 0.054 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 837096573 MYDLGJPWDVWQDQ-CVEARBPZSA-N 396.490 0.390 30 10 GCEE C=C[C@@H](OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)C(=O)OCC 842978063 HXZILBXIVTWAJY-GFCCVEGCSA-N 375.381 0.469 30 10 GCEE C#CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 843999643 GGIQVRIBAOHPRI-LSDHHAIUSA-N 389.477 0.949 30 10 GCEE C=CCCn1cc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nn1 848681455 CYLQBVLDJNYTGL-ZDUSSCGKSA-N 395.441 0.063 30 10 GCEE C#C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 848956847 UAYXPDMMCMPUQG-XJKSGUPXSA-N 397.478 0.290 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 857281562 UNFMNMXERQLSNQ-JZXOWHBKSA-N 392.477 0.600 30 10 GCEE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1cccc(F)c1C#N 859280729 GCHDADFBKZNQFK-KRWDZBQOSA-N 383.445 0.591 30 10 GCEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 860684603 XLBDKFVLYMXDBX-JTQLQIEISA-N 379.373 0.444 30 10 GCEE C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 868372877 FIYJAVLAXZQMCD-XHSDSOJGSA-N 378.473 0.585 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(C)=O)CC2)s1 873874794 BFKDXJAGAMHYPT-UHFFFAOYSA-N 385.511 0.836 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 874152438 LHKWJXFYINOHMZ-HXUWFJFHSA-N 387.436 0.488 30 10 GCEE C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H]1CCCO1 875326265 XWUQMMSQVFYWIW-CBBWQLFWSA-N 379.457 0.798 30 10 GCEE O=C1NC[C@@H](Cn2cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)nn2)O1 899093738 XIQQWYNFAPWSNN-YFKPBYRVSA-N 393.219 0.949 30 10 GCEE C=C1[C@H](C(=O)N2CCOC[C@@H]2CCOC)[C@H]1C(=O)N1CCOC[C@@H]1CCOC 908323824 PRRQRTDSOMJCHJ-XSLAGTTESA-N 396.484 0.316 30 10 GCEE C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 908742352 VUONZZMWHVNIGN-UHFFFAOYSA-N 385.472 0.088 30 10 GCEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CSC1 912371096 JLCWJJWBBSUGDP-UHFFFAOYSA-N 383.495 0.237 30 10 GCEE N#C[C@@]12CN(S(=O)(=O)CC3Cc4ccccc4C3)C[C@@H]1CS(=O)(=O)C2 921825665 PBVMTCHMIPXJDI-SJORKVTESA-N 380.491 0.601 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 930770542 YWINEDXJHMSPKI-WKULXVSPSA-N 396.484 0.505 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)C1=O 935797269 AFEJHMWJXHWBGZ-CABCVRRESA-N 393.484 0.812 30 10 GCEE Cc1cccc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1117050382 GDWYIFYHBQHDOS-AWEZNQCLSA-N 379.424 0.405 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1 1119228191 MTUOYFXSZVSMPY-HOTGVXAUSA-N 377.466 0.193 30 10 GCEE CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@@H](C)C1 1120334799 BYLTXLGYEAQOAC-KSSFIOAISA-N 384.436 0.537 30 10 GCEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1121509312 DTDPUQWGTVHTHZ-WCVJEAGWSA-N 393.488 0.558 30 10 GCEE C=CCn1c([C@@H](C)c2cnccn2)nnc1N1CCN(c2nncn2C)CC1 1121726179 OWVSVPHQKRUOMR-AWEZNQCLSA-N 380.460 0.861 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C[C@@H](C)O)n2C[C@H]2CCCO2)CC1 1122799668 GDWWBFYRCKDSHW-GDBMZVCRSA-N 375.473 0.346 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)c2cc(Cl)ccc2F)C1=O 1169636291 WKAVKLHMWWXEQI-UHFFFAOYSA-N 381.747 0.755 30 10 GCEE C=CCn1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)nn1 1212241747 NBTKRZVMZQIBIF-XMMPIXPASA-N 384.487 0.802 30 10 GCEE C#CC1(O)CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1221490723 LKSDHLWPLSRCKX-OAHLLOKOSA-N 393.465 0.033 30 10 GCEE C[C@@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ncnn1C 1261194730 IMFLTUAPLWDFMI-CYBMUJFWSA-N 382.424 0.934 30 10 GCEE CN(C)CCC[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CCO1 1261698323 GNSISTDJBLSKCJ-SFHVURJKSA-N 388.468 0.774 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC(=C)C 1263310156 FEAXQWFUZJNTMQ-HNNXBMFYSA-N 376.461 0.648 30 10 GCEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)O1 1266190509 AFNCDKSSEYPUCE-IJEWVQPXSA-N 387.440 0.886 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)NC1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1284915104 CRVQQOIMYPSWMG-AEGPPILISA-N 378.473 0.392 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286297149 AMVZRQKZEAQEEB-ZIAGYGMSSA-N 395.529 0.943 30 10 GCEE C#CCN(c1nnc(COCC)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286397793 UUTPVTAXEQVDBL-HOTGVXAUSA-N 396.513 0.866 30 10 GCEE C#CCN(c1nnc(COCC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398325 XCJGDJQJMQQOEM-MRXNPFEDSA-N 395.529 0.537 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1286407653 YOVCZLQCKFWAGK-UHFFFAOYSA-N 379.346 0.430 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC)[C@@H](C)C1 1286778663 IRDMKEZUKBKHAE-HNNXBMFYSA-N 389.504 0.347 30 10 GCEE C=CCCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)nn1 1287825429 STYVBVIVUDKCEQ-XUWVNRHRSA-N 375.473 0.887 30 10 GCEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C[C@H]1O 1289036084 RDXOTLWBQGGKNR-MKXGPGLRSA-N 388.464 0.667 30 10 GCEE C=CCCO[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1294680284 TUIJTTJABPXDCO-MLHJIOFPSA-N 379.501 0.796 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nnc(C)s2)CC1 1300695699 GKXFBEAJWXJSEK-UHFFFAOYSA-N 397.512 0.836 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)CC1 1300697737 IVWHZGYSAOMJAF-FOIQADDNSA-N 398.467 0.485 30 10 GCEE 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0.716 30 10 GCEE CCN(Cc1nn[nH]n1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334046 WPNXXZWWMBVTAC-UHFFFAOYSA-N 399.307 0.771 30 10 GCEE CCN(CC(=O)NC)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282347711 BJRSQDVBNWRNLL-UHFFFAOYSA-N 382.291 0.742 30 10 GCEE Cc1nc(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282409953 SWIVKLWYYKUUNP-UHFFFAOYSA-N 378.263 0.891 30 10 GCEE CC1(C)OB(c2cccc(F)c2C(=O)N2CCS(=O)(=O)CC2)OC1(C)C 2282479073 MHXRCKMLOMJDGL-UHFFFAOYSA-N 383.250 0.996 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CN)[nH]n1C 2282595551 WDXOJXNCJDCPLO-UHFFFAOYSA-N 378.267 0.012 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@]3(F)CCOC3)c2)OC1(C)C 2282832341 NPQYDPRGQAQOFU-INIZCTEOSA-N 386.254 0.788 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H]3[C@@H]4CNC[C@@H]43)cc2)OC1(C)C 2282839297 BRBABYSESAQNTH-MUJYYYPQSA-N 378.303 0.623 30 10 GCEE C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282839598 GMGMMIWXHGPJCD-VXGBXAGGSA-N 384.311 0.090 30 10 GCEE 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C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCS(=O)(=O)C1 2319743679 MGZPYTAHHIICOS-BLLLJJGKSA-N 376.475 0.512 30 10 GCEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)C[C@@H](C)C#N 2343301838 GVNFPBNDMSWZNT-STQMWFEESA-N 388.490 0.533 30 10 GCEE CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2357885993 DMQVBYIWQYIIKU-XHSDSOJGSA-N 375.425 0.858 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@@H]2CN[C@H]1C2 2359282927 SOWYLQAZVLRHLC-DUVNUKRYSA-N 378.303 0.933 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)OC1(C)C 2362565241 BQKVSHLLMIPTHI-PHIMTYICSA-N 398.315 0.559 30 10 GCEE CN(C)S(=O)(=O)CCCN=c1[nH]ccc(B2OC(C)(C)C(C)(C)O2)c1F 2367683952 BNWPUJOSKZDUIW-UHFFFAOYSA-N 387.286 0.635 30 10 GCEE Cn1cc([C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)nn1 2367791773 KIBDMMLCGSFWMH-TZMCWYRMSA-N 397.501 0.679 30 10 GCEE CC1(C)OB(c2csc(CN3C(=O)[C@H]4CCCN4S3(=O)=O)n2)OC1(C)C 2368908465 LOHNAKVIRNXYPQ-SNVBAGLBSA-N 399.303 0.494 30 10 GCEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)CC1 66584301 AOMRQAKCJBTHCA-DOTOQJQBSA-N 385.468 0.190 30 10 GCEE CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 109097205 VUCNLCBNFOTSDY-ZDUSSCGKSA-N 397.476 0.812 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1 138246918 MQRDKFIERPOZJG-UHFFFAOYSA-N 381.436 0.497 30 10 GCEE Cc1ccc(-n2nc(CCCNC(=O)CN3CCOCC3=O)c(C#N)c2N)cc1 280292529 WMPDCDWOEGVNBM-UHFFFAOYSA-N 396.451 0.542 30 10 GCEE CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 298669826 PKJSAKXGUQPGJV-ZWKOTPCHSA-N 396.495 0.545 30 10 GCEE C[C@H](CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CS(C)(=O)=O 330992413 UWLRMJBJNTUMFS-CQSZACIVSA-N 385.511 0.545 30 10 GCEE CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 369218106 FUQAHNBQSRWDGJ-CQSZACIVSA-N 376.438 0.227 30 10 GCEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O 371965440 GPRRBTGFORHFLJ-QLJPJBMISA-N 398.391 0.835 30 10 GCEE 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396.407 0.007 30 10 GCEE CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1 595950355 KNFVXWWANMKTOM-JOCQHMNTSA-N 399.494 0.867 30 10 GCEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](OC)(C(=O)OC)C1 599244715 LPMOIOSBNNXQRE-SFHVURJKSA-N 377.445 0.859 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)c(F)cc1C#N 599933587 GRKILMJFFVWJGK-UHFFFAOYSA-N 376.388 0.971 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)nc1 608782999 RKSKWQJAARJYED-UHFFFAOYSA-N 392.485 0.210 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 728532080 XYKFWUODPQMDJV-QAPCUYQASA-N 382.464 0.788 30 10 GCEE CNC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 733813037 CFLJZIBDVQHIMT-UHFFFAOYSA-N 387.417 0.940 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 763400635 TYBDRNTTYZTMLM-CVEARBPZSA-N 395.423 0.057 30 10 GCEE Cn1ccnc1CN1CCC[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1=O 783554350 ZEABEAAMQSJSMF-HNNXBMFYSA-N 380.404 0.808 30 10 GCEE 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COC[C@@H](O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282860858 HIWXGALDBBELBG-AWEZNQCLSA-N 385.291 0.662 30 10 GCEE CCSC[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284373457 NXJYCXCWRGZJQN-NSHDSACASA-N 383.279 0.655 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@]23CO[C@](C(=O)O)(C2)C3)OC1(C)C 2284377403 GXQJLMNESACQNE-WKILWMFISA-N 380.231 0.558 30 10 GCEE C[C@H]1C[C@]1(NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284405279 IRWSLHCHENHKIT-MGPLVRAMSA-N 382.247 0.522 30 10 GCEE C=C(CS(=O)(=O)N1C[C@@H](OC)C[C@@H](C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2284412066 RTBMRTFDZBWRFL-OLZOCXBDSA-N 389.279 0.925 30 10 GCEE C[C@@H](ONS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416003 SKLIGLAMTJTQHX-SECBINFHSA-N 389.210 0.808 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N[C@@H](CCO)C(=O)O)c(Cl)c2)OC1(C)C 2284430133 PGNYRHDQMGRMOV-NSHDSACASA-N 384.625 0.600 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCS[C@@H](C(=O)O)C2)n1 2284431035 DDUDYNBNOIWOGM-LLVKDONJSA-N 381.263 0.362 30 10 GCEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3CCS(=O)(=O)[C@@H](C(=O)O)C3)C2)OC1(C)C 2284472940 NYBHVMFGEJZCRS-GRYCIOLGSA-N 387.263 0.569 30 10 GCEE CN(C)CCN(CC(=O)O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2284482743 KNLZAPGRWQFSFQ-UHFFFAOYSA-N 383.279 0.531 30 10 GCEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(CN)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288261375 RUTVKYXKHGMCAK-BMLIUANNSA-N 380.685 0.794 30 10 GCEE COc1ccc(C#CC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cn1 2335435295 ZDPPAMBXUCNWAA-CYBMUJFWSA-N 382.438 0.949 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2([C@H](N)C#CC3(S(C)(=O)=O)CC3)CO[C@H]1C2 2342036520 DVYSXPHMBSIANO-ZJOBFFGXSA-N 384.498 0.967 30 10 GCEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1nn(C)cc1I 2342051312 LNCZJQVPHUXWGM-JTQLQIEISA-N 393.250 0.866 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C12CCC2 2342074024 JLHKCSJWVPSTPO-FZKQIMNGSA-N 384.498 0.799 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2NC[C@@H]3C[C@H]23)OC1(C)C 2359283135 KLCYDUZGZGYORC-KCQAQPDRSA-N 378.303 0.872 30 10 GCEE C=CCC1(CO)CCN(C(=O)[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2359667460 JZXNBXHEVFKEHJ-RBSFLKMASA-N 384.473 0.505 30 10 GCEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CC[S@@](C)=O)n1C 2362446750 OEGGEBYOJNAGMH-KPHLJTLVSA-N 383.323 0.915 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCc3nncn3C2)OC1(C)C 2362508592 NLRUTSVQYKKCGA-SNVBAGLBSA-N 375.263 0.779 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2[C@H](CO)C[C@H]3OCC[C@@H]32)OC1(C)C 2362570857 FFVHQPBDXILAPG-WCFLWFBJSA-N 380.275 0.807 30 10 GCEE Cn1cc(C#C[C@@H](OCC(=O)O)[C@@H]2COCCN2C(=O)OC(C)(C)C)cn1 2366089359 HVQHFSLGMSJQLB-LSDHHAIUSA-N 379.413 0.877 30 10 GCEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2367408151 KUNRYHJOGLGGII-LVZMMCSGSA-N 380.485 0.857 30 10 GCEE CN([C@@H]1CNC[C@@H]1F)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2369655589 ZHXYUNVNOYRUKJ-LSDHHAIUSA-N 384.282 0.916 30 10 GCEE C#CCCN1CCN([C@@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CC1 2372694037 KQXHYCYKANQLSU-KXBFYZLASA-N 381.473 0.764 30 10 GCEE CNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ncccn2)CC1 14160503 FPJYSIQRRJNFRP-UHFFFAOYSA-N 385.501 0.978 30 10 GCEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1=O 64835478 FQKJKSGPJBWCND-UHFFFAOYSA-N 383.495 0.758 30 10 GCEE CN1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 124683842 JFKXONNTPQFXBP-INIZCTEOSA-N 387.488 0.364 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 193316973 KHIIRTHHZNMRGU-UHFFFAOYSA-N 380.514 0.470 30 10 GCEE C/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCCN(c2cnn(C)c2)C1 262767385 HSAYFXMYIJCWFL-HOTGVXAUSA-N 385.520 0.716 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 268893878 PLJPSJZKROVDDM-GFCCVEGCSA-N 399.494 0.261 30 10 GCEE CCN1CCN([C@H]2CCN(/C(O)=N/Cc3nc(C(F)(F)F)n[nH]3)C2)CC1 330167168 YRSXCGQDTOVBPR-NSHDSACASA-N 375.399 0.949 30 10 GCEE CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCC[C@H](C(=O)N2CCCC2)C1 330732268 KYCPXOAGVFBYNH-HNNXBMFYSA-N 388.534 0.906 30 10 GCEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 331330595 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C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc3c(c2)CCCC3)CC1 542073160 RCXHAZLNLDOICD-UHFFFAOYSA-N 385.468 0.345 30 10 GCEE C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546733057 LFJMMHYOHVQEFQ-QGZVFWFLSA-N 385.516 0.811 30 10 GCEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 548916632 LGHQCGDGZYRSQS-ZBFHGGJFSA-N 394.435 0.287 30 10 GCEE Cc1c(CN(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1C 562509304 CNRMUKAKSSBLOP-UHFFFAOYSA-N 395.398 1.522 30 10 GCEE CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)CC1 584789854 CQZIWWSCLSQWFP-UHFFFAOYSA-N 382.467 0.945 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 593604964 OMTASFLVFCEKKG-HIFRSBDPSA-N 398.462 0.685 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C 593609223 SFSQHHDDDMVALW-OLZOCXBDSA-N 381.454 0.420 30 10 GCEE Cc1ccncc1CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 595166170 OCTUCIQXYJTIMO-UHFFFAOYSA-N 378.436 0.664 30 10 GCEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(OCCO)CCOC2)cc1 596876613 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0.412 30 10 GCEE COCCOc1ncccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727999722 QRCDFYQMSXPWFT-UHFFFAOYSA-N 390.421 0.784 30 10 GCEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 735517628 DLMCAXLWHJQNQS-MJGOQNOKSA-N 397.527 0.974 30 10 GCEE C#CCN(C(=O)c1ccc(OC)c(N2CCNC2=O)c1)[C@H]1CCS(=O)(=O)C1 742052694 SCMIAAQICYNWPX-AWEZNQCLSA-N 391.449 0.487 30 10 GCEE N#C[C@@H]1CN([C@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)CCN1C1CC1 742266644 NNJGTNKAJHRJEH-SJORKVTESA-N 382.420 0.684 30 10 GCEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(C#N)c[nH]3)ncnc1-2 748308944 AJBDKZCFVZRHAD-UHFFFAOYSA-N 389.217 0.541 30 10 GCEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1ccnn1 753150793 LMPCQSPQODSCNG-UHFFFAOYSA-N 376.442 0.303 30 10 GCEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](O)C[C@@H](O)C1 755441817 LQDADAKJDYTHEN-OKILXGFUSA-N 395.481 0.240 30 10 GCEE C#CCN(C(=O)Nc1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 774042573 IDBMVLLJNUWORT-CQSZACIVSA-N 385.467 0.712 30 10 GCEE 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1339497331 LAGWICPHJHILFV-UHFFFAOYSA-N 388.520 0.949 30 10 GCEE C=CCn1c([C@H]2COCCN2C)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1340224297 OFIJXQQWXOJQFI-OLMNPRSZSA-N 395.529 0.728 30 10 GCEE C=CCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(C(C)C)CNC(=O)C1 1340257853 CCPYVZBODDNRDA-FQEVSTJZSA-N 396.499 0.994 30 10 GCEE C=C(C)Cn1c(N2CCC3(CC2)CNC(=O)O3)nnc1[C@]1(C)C[C@H](O)CN1C 1341837157 DDRFSGTXKFUBKE-KSSFIOAISA-N 390.488 0.845 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC(c2cccnc2)CC1 1346276411 JXHBBOUXHSHUNY-ZCXUNETKSA-N 397.435 0.430 30 10 GCEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN4CCOC[C@]4(CO)C3)C2)c(F)c1 1347433294 PNDHDDSFHLENBX-OXQOHEQNSA-N 388.443 0.429 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)CCO1 1348228775 DUDGCTKPYBURCC-KRWDZBQOSA-N 386.427 0.930 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 1349226826 TWHPAFUKBAJPRS-GFCCVEGCSA-N 377.363 0.201 30 10 GCEE C=CCn1c(C[C@@H]2CCOC[C@@H]2OCC)nnc1N(C)CCS(C)(=O)=O 1352050915 SURQWYJMBCCWFD-GJZGRUSLSA-N 386.518 0.929 30 10 GCEE C#CCN1CCC(NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 1354551039 OTBHMADMPVPCQQ-UHFFFAOYSA-N 381.429 0.382 30 10 GCEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(C)n1 1358984419 UHMIPWHARDTXSC-UHFFFAOYSA-N 382.472 0.836 30 10 GCEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359121026 SJUPMGXOODDKDE-SUMWQHHRSA-N 379.486 0.820 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2nn[nH]n2)c1 1441627356 BNIKPFXJLDKQGW-XMHGGMMESA-N 377.430 0.584 30 10 GCEE C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1489476144 GNAAMKLNTJJTCQ-FPCVCCKLSA-N 377.485 0.812 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC1CC1)C2 1490930933 WWWHYHYPXMZVFH-DLRJPAPCSA-N 389.496 0.991 30 10 GCEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1499162751 VDLYUBLNBFBWRH-LJQANCHMSA-N 383.456 0.585 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCCOC)C1 1508091449 UOYHMFXVCDYJSY-CVEARBPZSA-N 393.488 0.716 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COC)C1 1508141146 LMNOBKZYPYBSMH-ZIAGYGMSSA-N 397.501 0.303 30 10 GCEE COCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(N)=O 1519988696 DPGZYGKVZUMBOM-FZMZJTMJSA-N 378.816 0.571 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]2C1 1520321982 JPNNMOAYBRYDIY-XDNAFOTISA-N 389.496 0.801 30 10 GCEE C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCCCC1=O 1522135586 VDFNHKGLBJXAJX-OLPIVMHESA-N 377.485 0.964 30 10 GCEE C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(c2cccnn2)CC1 1523904294 IOGABVRMDHLXNB-OAHLLOKOSA-N 382.472 0.917 30 10 GCEE C/C(=C/C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1528525994 VBABNXVDQAAOJO-FINFHUOPSA-N 396.495 0.330 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCN(C)C1 1539295580 DDLPHHCQWCCLSW-PXNSSMCTSA-N 389.500 0.532 30 10 GCEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539517604 PVLVFYHGGRORNG-KBXCAEBGSA-N 375.498 0.865 30 10 GCEE 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CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCCn2cnc(C#N)n2)CCCOC1 1586935536 IQZMOFWPYLMTLP-KRWDZBQOSA-N 378.433 0.587 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(C)c2C)CC1 1588800723 NMIKHHWSGHLXKN-UHFFFAOYSA-N 379.472 0.524 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2nnn(C)n2)C1 1595738601 RNSXUZRAVRSAHP-OAHLLOKOSA-N 381.444 0.617 30 10 GCEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1622605511 GBERSYVTYIEITQ-UHFFFAOYSA-N 390.449 0.670 30 10 GCEE CS(=O)(=O)C[C@H](O)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1636477464 MWTKASCGAJBVJS-OAHLLOKOSA-N 381.454 0.235 30 10 GCEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C 1644223240 OMVLJEBUDWSSJA-AVGNSLFASA-N 392.481 0.629 30 10 GCEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@@](C)(C#N)C1 1660381850 MDQFOGCOZNADNY-PXAZEXFGSA-N 378.454 0.226 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 1684028673 BPTDBYOMXBQTHA-UHFFFAOYSA-N 386.474 0.194 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CN(C)C1=O 1689848452 VUZFVJIAJJARMU-BLVKFPJESA-N 384.440 0.942 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1690099951 RQLDWHYRDFUCDR-AWEZNQCLSA-N 399.455 0.358 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnnn2C)CC1 1690117771 VHCIFQOFMXIFJN-UHFFFAOYSA-N 397.874 0.926 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1690527815 UBLZYVHYGYAOND-ZNMIVQPWSA-N 384.502 0.854 30 10 GCEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCC(=O)N1 1690732302 YVHIBGUUNDXTFP-LLVKDONJSA-N 379.446 0.307 30 10 GCEE C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@@H]2C1 1692067094 PVHXNWCIONYFFX-CBZIJGRNSA-N 392.500 0.594 30 10 GCEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CC1 1698490912 LNVDAAZTBOCASV-INIZCTEOSA-N 388.472 0.946 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705497665 GBECTKYPXURWBF-KDOFPFPSSA-N 389.481 0.271 30 10 GCEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705554285 SNNSUQHIBNLCJF-UHFFFAOYSA-N 389.481 0.273 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1705844263 YSYXCDZWSYEXNM-LSDHHAIUSA-N 397.501 0.578 30 10 GCEE CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1=O 1710260462 VWODEROJXNURGD-OAHLLOKOSA-N 397.439 0.801 30 10 GCEE CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(C#N)o1 1710744130 WQGZHLYFJQGRFD-ZDUSSCGKSA-N 385.428 0.884 30 10 GCEE N#Cc1ccc(C(=O)N2CCC(N(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[nH]1 1719655980 DWKADMDQCLWSSU-LHHMMCJZSA-N 398.463 0.735 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C(C)(C)C(N)=O)C1 1719977523 CGIOTTDRDUHRGX-YYQBIWNASA-N 377.485 0.834 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722728327 PVITTZQWHVAVJH-IYBDPMFKSA-N 399.561 0.987 30 10 GCEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748751941 OSFKDFGHCSVGKL-CQSZACIVSA-N 381.502 0.713 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)noc2C)CC1 1748990583 JCPUIDLBKANPQX-MRXNPFEDSA-N 383.456 0.638 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCNC(=O)NC)C1 1757846871 YQANYGFDQZPCEJ-YGTYGHESSA-N 378.473 0.394 30 10 GCEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760279207 UVKGUIHCXOJGQY-ZFWWWQNUSA-N 385.497 0.760 30 10 GCEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1764917069 BOKDJADFRHVFMG-FQEVSTJZSA-N 394.483 0.912 30 10 GCEE CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1766241010 CLCRZLQUPGQFFK-RYUDHWBXSA-N 385.494 0.153 30 10 GCEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 1851109275 RECUOIXGSXGJDK-LLVKDONJSA-N 378.385 0.820 30 10 GCEE N#Cc1cn(CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)nc1O 1851316422 SIISKXVGGMPEIQ-UHFFFAOYSA-N 383.408 0.367 30 10 GCEE CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855830262 RMFBPUQVNFBPQW-OAHLLOKOSA-N 390.465 0.402 30 10 GCEE N#Cc1ccc(COc2nonc2CC(=O)NCCCN2CCOCC2)cc1 1872650284 LCZTYETVANKPON-UHFFFAOYSA-N 385.424 0.901 30 10 GCEE CC(C)(C)OC(=O)N1CCN([C@H](CN)C2(S(C)(=O)=O)CCC2)[C@H](C#N)C1 1881511028 BPUYOXNEUTWSSI-ZIAGYGMSSA-N 386.518 0.726 30 10 GCEE C[C@@H](C#N)S(=O)(=O)N1CCOC[C@@]2(COCCN2C(=O)OC(C)(C)C)C1 2118172133 UWZVFQXIUGENCB-XJKSGUPXSA-N 389.474 0.567 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCNC[C@@H]3C2)CCN1Cc1ccccc1 2172905469 UEVJFVPWYPGIGN-IPMKNSEASA-N 389.525 0.482 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2267175725 PONHQMFLTISSLR-SNVBAGLBSA-N 386.304 0.701 30 10 GCEE CC(C)(CC(N)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372177 KMUFCPCQTDFAQQ-UHFFFAOYSA-N 388.320 0.980 30 10 GCEE CCON(C1CNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267465703 QNNNYZAFDUMIOH-UHFFFAOYSA-N 388.320 0.961 30 10 GCEE CN(C)S(=O)(=O)CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267542510 SLQZAFRXOWGVFB-UHFFFAOYSA-N 389.308 0.064 30 10 GCEE CS[C@H]1CC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710560 XPSJZSBHZSWXQB-RYUDHWBXSA-N 387.336 0.892 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCc3nncn3C2)OC1(C)C 2281795134 NRXBWNOUDODZDF-JTQLQIEISA-N 375.263 0.779 30 10 GCEE CC1(C)OB(c2cc(Cl)cc(C(=O)NC(CN)(CO)CO)c2)OC1(C)C 2281821310 MTLOGBOASDNUOS-UHFFFAOYSA-N 384.669 0.051 30 10 GCEE Cc1sc(C(=O)N2CC(O)(C(N)=O)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2281944041 IACKFGBHNXAKDF-UHFFFAOYSA-N 380.275 0.336 30 10 GCEE Cn1cnnc1CCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282010095 UDTPXMZUKPZGRN-UHFFFAOYSA-N 377.279 0.933 30 10 GCEE CCn1cc(C(=O)N[C@@H](CN)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282048890 RFBRBGTVKUYFLC-JTQLQIEISA-N 376.188 0.822 30 10 GCEE COCCNC(=O)[C@@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282054859 WGUXJCMZYOQTRP-SNVBAGLBSA-N 383.279 0.323 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC[C@H](F)C1 2282322593 OGMXHTZCDBEVHM-QWRGUYRKSA-N 388.274 0.673 30 10 GCEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@@H]3C[C@H](C2)N3)OC1(C)C 2282326781 XVXYODCZVSQMRJ-BETUJISGSA-N 382.266 0.860 30 10 GCEE C#CCN(C1CSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282331786 RVESLSUVTQHKAA-UHFFFAOYSA-N 397.331 0.459 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)N4)ccc2F)OC1(C)C 2282508201 SGWCLXRFJWGTMM-TXEJJXNPSA-N 382.266 0.860 30 10 GCEE COCC[C@@H](C)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282510233 WDHWSMHXYGQTBK-GFCCVEGCSA-N 387.311 0.670 30 10 GCEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CCC3(CNC3)O2)OC1(C)C 2282516261 COEPMZNCEMXNND-NSHDSACASA-N 379.291 0.693 30 10 GCEE CC1(C)OB(c2cc(C(=O)Nc3n[nH]c(C4CNC4)n3)ns2)OC1(C)C 2282603514 HKAXDTNIIHDCRE-UHFFFAOYSA-N 376.251 0.500 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3C[C@H]4CN[C@H]3C4)c2)OC1(C)C 2282825592 KWWMESBIJAQHDO-CQDKDKBSSA-N 379.291 0.410 30 10 GCEE Cn1ccc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)n1 2282833281 WOHIXIVUZZYZKZ-UHFFFAOYSA-N 398.319 0.795 30 10 GCEE C[C@H]1[C@H](O)CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837713 WTJPBILLAIAVRZ-WCQYABFASA-N 385.295 0.253 30 10 GCEE C[C@@H]1C[C@H](O)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846970 RIAIBUGLSUBSSR-VXGBXAGGSA-N 385.295 0.253 30 10 GCEE CS[C@H](C)[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284368869 UEZYKMBRKLFLQC-KOLCDFICSA-N 381.263 0.710 30 10 GCEE COC(=O)[C@@H](CC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2284381493 LFIDXXTWHDOMML-SECBINFHSA-N 384.219 0.188 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@]2(C(=O)O)CCCOC2)OC1(C)C 2284480074 CPTKTTZGGIRADC-MRXNPFEDSA-N 382.247 0.806 30 10 GCEE COCC1(C(=O)O)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2284487084 MTQMHBXIRFUVGU-UHFFFAOYSA-N 382.247 0.616 30 10 GCEE C=CC[C@]1(CO)CCCN1C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 2287703652 SUQKBNMRDYHTPW-AUUYWEPGSA-N 381.473 0.994 30 10 GCEE CC1(C)OB(CC2CN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(=O)O)C2)OC1(C)C 2289443943 POXWJVYERGWALW-NEPJUHHUSA-N 387.263 0.282 30 10 GCEE COc1ccc(C#C[C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)cn1 2295795208 MPJGPDPHHMTRPE-KDOFPFPSSA-N 396.465 0.885 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1S(C)(=O)=O 2368616978 PCYBZTPNCXUOIA-VXGBXAGGSA-N 383.279 0.025 30 10 GCEE C#CC[C@H](CO)N[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 2377819039 RTLUMHOTXJMLBU-NIKGAXFTSA-N 382.457 0.974 30 10 GCEE C#CC(CO)(CO)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2379600646 UACKERFFVPWBIV-LJQANCHMSA-N 382.457 0.710 30 10 GCEE Cc1ccc(C(N)=NO)c(=O)n1Cc1ncc(I)cn1 2381295687 OJDLHUZONLYLSC-UHFFFAOYSA-N 385.165 0.694 30 10 GCEE O=c1c(/C=N/[C@@H]2CCS(=O)(=O)C2)c(N2CCOCC2)nc2ccccn12 5175281 ARHPDMHKBATMEN-VBEHJTROSA-N 376.438 0.137 30 10 GCEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2ccc(OCC(N)=O)cc2)c1 17080347 ILZQVMQPGNPASF-UHFFFAOYSA-N 393.421 0.880 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC)cc2)CC1 64573732 FGIARWUHGGTAGE-UHFFFAOYSA-N 394.497 0.644 30 10 GCEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2nc(C)nc3c2cnn3C)CC1 106170121 HSDLHXSOKIXDEG-CQSZACIVSA-N 384.488 0.802 30 10 GCEE Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)cn1 179774293 FVLIYCAYEAJEJD-AWEZNQCLSA-N 398.471 0.967 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)O)c1 262068034 CMTSVNKKHQNFNB-HNNXBMFYSA-N 396.465 0.986 30 10 GCEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 270065056 KPKQOLKAJIYEQI-LLVKDONJSA-N 382.428 0.374 30 10 GCEE N#Cc1nccn1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 271246537 GJBMHECMOUJIOX-UHFFFAOYSA-N 389.437 0.092 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1=O 297930990 SCZPNQGDQLEKHS-CABCVRRESA-N 393.484 0.812 30 10 GCEE CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 298619924 SIKSKDOTOIYUBS-NRFANRHFSA-N 398.463 0.913 30 10 GCEE CCCS(=O)(=O)N1CCC[C@H]1/C(O)=N/CC(C)(C)N1CCS(=O)CC1 329533168 XTIMGWNHXPYLCU-AWEZNQCLSA-N 393.575 0.990 30 10 GCEE NC(=O)[C@@H]1Cc2ccccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 364062135 QAORIBPCQQWSEK-AWEZNQCLSA-N 384.417 0.168 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 371834141 HMZVXFDVUPWJKY-HNNXBMFYSA-N 388.424 0.065 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c(Cl)cnn1C 429844746 MEWHFVVDTZSBMC-JTQLQIEISA-N 381.849 0.635 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(Cc2ccccn2)C2CC2)CC1 459872882 QDXHGXHWBMCEDV-UHFFFAOYSA-N 385.468 0.019 30 10 GCEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 471909505 WJXWHCZEDOYPLP-ZDUSSCGKSA-N 377.419 0.500 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 492455097 DIBSHTOMVPZTOB-INIZCTEOSA-N 378.517 0.908 30 10 GCEE C=CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508894613 LNPVBHHAOOUMPY-OAHLLOKOSA-N 398.533 0.677 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 509001379 WCIAWALLRYAMNV-JJRVBVJISA-N 399.517 0.849 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cccc(C(=O)OC)c2)CC1 511377202 JHEJUBORALJOTC-UHFFFAOYSA-N 388.468 0.645 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C)c1 515433262 SQDNUCYTNNPIAE-AVGNSLFASA-N 387.483 0.411 30 10 GCEE CCn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(=O)c2ccccc21 530270538 NEMXMUSULYIMOR-UHFFFAOYSA-N 392.375 0.247 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(CC4CC4)CC3)CC2)n1 556247736 OEPHQAIWKJUWJY-UHFFFAOYSA-N 396.495 0.592 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@H]1CCOC1 568255127 JOULCRILKCKENQ-STQMWFEESA-N 387.483 0.582 30 10 GCEE COC[C@@H]1CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)C#N)c1 570739212 MCBMVERQYFSTIM-OLZOCXBDSA-N 387.483 0.629 30 10 GCEE N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2C[C@@H]3C[C@H]3C2)cc1 580903154 QIKMZEMPMRIRBM-STQMWFEESA-N 394.478 0.801 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCCOC2)c1 581736680 FBOMMNQNQKWWKN-ZDUSSCGKSA-N 387.483 0.630 30 10 GCEE CN(C)CCN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 593181690 CYLVKRVQXRHQRD-UHFFFAOYSA-N 382.428 0.377 30 10 GCEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 593739198 WQZRZFOEWGSQNB-UHFFFAOYSA-N 397.479 0.305 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](CO)C2)c1 594631640 OFQYBWCSNIEGLC-OLZOCXBDSA-N 387.483 0.222 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 594635117 HEQNZLRXHODFOT-CYBMUJFWSA-N 399.494 0.678 30 10 GCEE 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395.529 0.897 30 10 GCEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]2C)CC1 1300684062 WTMAVPZXLAXLCA-QLFBSQMISA-N 380.518 0.300 30 10 GCEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCCO1 1301509755 MTYCFUNUUXGKPN-OAHLLOKOSA-N 390.488 0.708 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301520377 FOTSHNBTHRSCNX-JKSUJKDBSA-N 390.488 0.784 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)C1 1301554567 IIQCWIRHOWONLS-UONOGXRCSA-N 397.501 0.445 30 10 GCEE CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1314944681 CZSBDUGMDRRLKX-CYBMUJFWSA-N 399.455 0.845 30 10 GCEE Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318629861 HSZHSCRBQKVPQR-CCEZHUSRSA-N 388.428 0.299 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1321351959 DYAMVQYNFOTVKH-OAHLLOKOSA-N 378.450 0.003 30 10 GCEE C#CCN(C(=O)C(=O)NCCCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1322956891 RZFOLYLRGJKTJY-MRXNPFEDSA-N 392.477 0.529 30 10 GCEE 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C#CCN(C(=O)C(=O)NCc1ccc(C(C)(C)C)o1)[C@@H]1CCS(=O)(=O)C1 1348586170 XFDAOEJHRCMIRP-CYBMUJFWSA-N 380.466 0.842 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@H](N3CC(=O)Nc4ccccc43)C2)C1 1350254982 ZPPBKCGZYRUYKV-XOBRGWDASA-N 381.436 0.808 30 10 GCEE C=CCn1c(CS(=O)(=O)Cc2ccccc2)nnc1N1CCNC(=O)CC1 1351463834 LVUPQKVKZYJCQK-UHFFFAOYSA-N 389.481 0.905 30 10 GCEE C#Cc1ccc(Cn2nnnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1352507995 HCBRGLURGPJMOS-KRWDZBQOSA-N 388.497 0.811 30 10 GCEE C#CCN(c1nnc([C@H]2CCCN2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1355707459 BFESIRXJOLEDHI-LSDHHAIUSA-N 381.502 0.318 30 10 GCEE COC(=O)c1oc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C 1438247892 MJVCMDHNTCLPEG-UHFFFAOYSA-N 391.405 0.730 30 10 GCEE CCOC(=O)CON=C(C(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C)c1cc[nH]n1 1467716156 BTMZINRKBCOUFN-SCLBCKFNSA-N 396.444 0.376 30 10 GCEE N#C[C@@]12CN(CC(=O)NCCN3CCc4ccccc43)C[C@H]1CS(=O)(=O)C2 1473823948 SRUXNOVOTSIVMI-LPHOPBHVSA-N 388.493 0.035 30 10 GCEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1507752408 WNEPYHBVSJIGPB-AWEZNQCLSA-N 387.469 0.053 30 10 GCEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C2COC2)nn1 1508012401 DOMMOUKJUWBZKZ-UHFFFAOYSA-N 398.471 0.904 30 10 GCEE C#CCN(c1nnc([C@H]2CCC(=O)N2C(C)C)n1CC)[C@H]1CCS(=O)(=O)C1 1520721955 AEQWRMXRMQGJMF-LSDHHAIUSA-N 393.513 0.997 30 10 GCEE Cc1c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cnn1CCC#N 1538356194 ZQAQCYATPASGSI-CQSZACIVSA-N 383.474 0.324 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)cc2C1=O 1538875311 PSMSOWQJHBBRIB-CYBMUJFWSA-N 392.433 0.354 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N(C)C 1539003736 PYOAJBJNRRALOQ-CQSZACIVSA-N 376.486 0.998 30 10 GCEE N#Cc1cn(CC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c(=O)nc1O 1565760076 SNCSVSWITUJWKC-UHFFFAOYSA-N 388.815 0.213 30 10 GCEE COc1ncc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1C#N 1584826930 XDKCHGSMKDAVLO-CYBMUJFWSA-N 389.412 0.978 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595529598 AHMANCHWENXXTE-HUUCEWRRSA-N 398.471 0.228 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595603011 VHQUJORLMPKXTI-UPJWGTAASA-N 377.401 0.546 30 10 GCEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)C[C@@H](C)O1 1595615131 REELZFHMMKNCHO-CHWSQXEVSA-N 382.442 0.263 30 10 GCEE CN1CCn2nc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2C1 1597687645 WKKQXCAWBNDKHU-UHFFFAOYSA-N 388.453 0.773 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 1622778534 MUNWRVXMFINALA-UHFFFAOYSA-N 394.453 0.399 30 10 GCEE CSc1ccc([C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)N(C)C)cc1 1624878611 GKSHJMRFUUQRKZ-OAHLLOKOSA-N 387.465 0.962 30 10 GCEE C[C@H](C[S@@](C)=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1633918065 RBZQDWULHXLHHX-HSJUDRPNSA-N 376.438 0.646 30 10 GCEE N#C[C@@]12CN(C(=O)C[C@@H](NC(N)=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1645267866 QTAYMENTZPMMDJ-RWSFTLGLSA-N 382.467 0.244 30 10 GCEE N#C[C@@]12CN(CC(=O)NCCOc3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1648416248 VBZBDTRLOUJAHC-GUYCJALGSA-N 397.884 0.705 30 10 GCEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCCN1 1648864805 XNNAUUVRTVDZJR-WBMJQRKESA-N 377.869 0.489 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 1665602917 XCZUIBHPRHUPNW-UHFFFAOYSA-N 381.414 0.520 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C(=O)OC)CCOC2)c1 1666811231 HETOYSKYLVEWNB-QGZVFWFLSA-N 382.438 0.460 30 10 GCEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1670257445 OFSWMVVZQXCKQS-CYBMUJFWSA-N 390.483 0.509 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1690019074 AFETUOBQVXFDHZ-YOEHRIQHSA-N 394.522 0.121 30 10 GCEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1696588104 CXOUBZBCDFDAMY-LJQANCHMSA-N 381.440 0.607 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1705552788 HEQMRADQIJOGKV-GDBMZVCRSA-N 383.456 0.699 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1705602936 FXUIEVKBDTWVET-UHFFFAOYSA-N 393.513 0.798 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1719299345 YVNFYVBZGSMZST-KRXQYRFLSA-N 376.457 0.022 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC=C 1719903540 XJWNYWQZCYGAEY-KFWWJZLASA-N 378.473 0.701 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1CCOCC1(C)C 1722370413 KEWPNTITHUWKGE-UHFFFAOYSA-N 386.500 0.600 30 10 GCEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C(C)C)CC1 1722431341 NYYOGGHCRSQXSE-OWCLPIDISA-N 394.545 0.861 30 10 GCEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCOCC2)CCO1 1731188756 IETRPXMVIYUOIW-HZPDHXFCSA-N 391.472 0.832 30 10 GCEE C#CCCOc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](C)C2)cc1 1739545013 IKIPATDDHFPLME-NKGKWGDASA-N 383.448 0.787 30 10 GCEE Cn1nccc1COCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(C#N)c1 1740347517 MELYMUQRRREJEM-OIISXLGYSA-N 382.424 0.698 30 10 GCEE C=CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1740372081 VNCQJKJWUQVCEU-RTXFEEFZSA-N 375.429 0.676 30 10 GCEE 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CC/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCO[C@H](c2cnn(C)c2)C1 261816368 TZCUXPMAXXFRGV-HOCLYGCPSA-N 398.533 0.040 30 10 GCEE C/N=C(/NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@]2(CNC(=O)C2)C1 261855213 YOSHIUIEGRSOGU-IBGZPJMESA-N 392.525 0.779 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 283856626 BBIMNMYDHNGKJY-UHFFFAOYSA-N 399.451 0.404 30 10 GCEE CC(C)CN1CCO[C@@H](C/N=C(/O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 329896058 CGDNQISJEXNLPI-RYQLBKOJSA-N 393.488 0.632 30 10 GCEE COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)O1 364885242 HDFQLYNWISAXPR-WFASDCNBSA-N 384.396 0.340 30 10 GCEE COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 373412017 IPHGJIHXVHCKCK-INIZCTEOSA-N 397.439 0.304 30 10 GCEE Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1C#N 374745731 YLBCLMQURMVPOO-UHFFFAOYSA-N 390.465 0.878 30 10 GCEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC(=O)NCC#N)[C@@H]2CCCO[C@@H]2C1(C)C 376204656 FCNBIBLZCVQOPL-UHYGZKCKSA-N 394.472 0.841 30 10 GCEE CC[C@H](CC#N)NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 376931817 OHTBNTCPPIWQLA-KFWWJZLASA-N 384.436 0.830 30 10 GCEE N#CCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 408007350 HPGKUOYGQVULGI-UHFFFAOYSA-N 378.454 0.087 30 10 GCEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NC1(C#N)CCCCC1 441241739 YZYIDRSWSCUARW-XOUADPBQSA-N 377.441 0.754 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)CC1 459882320 GGGZFGWCUYNVHE-QGZVFWFLSA-N 386.496 0.695 30 10 GCEE COCC1(C)CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 459883552 GVVPVSDUCXKJQM-UHFFFAOYSA-N 385.468 0.877 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cn1 460687126 AYPGROPFKVYRNX-LSDHHAIUSA-N 380.408 0.962 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3scnc3c2)CC1 491032295 GCVBILCJOSKQHN-UHFFFAOYSA-N 387.465 0.681 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 504385838 ZJMCQDBWBASMHO-UHFFFAOYSA-N 386.408 0.355 30 10 GCEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C(=O)OC)C1 506047617 NTFGNAAFRIBXDX-GDBMZVCRSA-N 394.449 0.759 30 10 GCEE C=C(C)Cn1c(SCC(=O)NC[C@@H](C)S(N)(=O)=O)nnc1-c1ccco1 507690384 YHVRJBXXWHCGKS-LLVKDONJSA-N 399.498 1.000 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSC[C@H]1CCO 511349063 CEIRBYXVYROKJY-GXTWGEPZSA-N 383.495 0.551 30 10 GCEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N 511368300 XSYMCRROQIGTMR-CYBMUJFWSA-N 375.447 0.790 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1 512705446 KAPYYHZDUYKHEJ-KRWDZBQOSA-N 387.484 0.541 30 10 GCEE CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 530270526 MNMIXYSQEZQBPS-STQMWFEESA-N 387.440 0.489 30 10 GCEE C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 538547374 ZUUVJMURJWYEKE-HUUCEWRRSA-N 388.468 0.653 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CSC[C@@H]2C)c1 565231599 WXZCQHDELXKODT-MJVIPROJSA-N 389.524 0.907 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C)cc1 573689050 HXDJNZDJGHATHN-OCCSQVGLSA-N 378.454 0.521 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(C)(C)C)c1 573863813 ZFUAVBYUSWKUOT-SMDDNHRTSA-N 389.499 0.562 30 10 GCEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(N)=O)C(=O)C1 574904444 ULFPOFUFFRVZIU-MRXNPFEDSA-N 396.451 0.664 30 10 GCEE COc1ccc(CC(=O)N[C@H]2CCNC[C@H]2C(=O)/C=C/C(=O)O)cc1OC 585835802 KFVVFDLBSZRYAH-HXINVUTJSA-N 376.409 0.551 30 10 GCEE COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)c1 588126009 WWVPRBYZFKEFFQ-QGZVFWFLSA-N 399.495 0.884 30 10 GCEE Cc1cncc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 595157291 YGQUYOZYYYLJRO-LJQANCHMSA-N 392.463 0.680 30 10 GCEE COC[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CCOCC1 595709753 ZQBZGKUAVDEUKU-KRWDZBQOSA-N 390.488 0.873 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1CCc2c(F)ccc(C(=O)O)c2C1 596038460 JWXFJXWBCDRHFE-UHFFFAOYSA-N 385.417 0.989 30 10 GCEE CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C)C1 597303733 JBHBHLKQFKPNIA-MSOLQXFVSA-N 397.479 0.328 30 10 GCEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 599412450 IXEDXQJQCFWUDQ-CHWSQXEVSA-N 378.462 0.019 30 10 GCEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 599500439 OPBJYRBQNUCNER-LLVKDONJSA-N 388.243 0.586 30 10 GCEE N#CC1(C[C@@H](O)CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 600717439 LHHHIUGMBWBEKT-CYBMUJFWSA-N 385.511 0.913 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCCO3)C2)c1 600760174 HLEFCKSEWVMTEG-ZDUSSCGKSA-N 399.494 0.773 30 10 GCEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)C=O 605692462 PLJIWGLIWYMJTF-OBYCQNJPSA-N 392.423 0.827 30 10 GCEE in-vitro N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)n1 612848428 KMHVIWVGOIJWFV-UHFFFAOYSA-N 377.408 0.908 30 10 GCEE CC[C@H](C#N)N1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 703967296 XJBRDCSCKJHOGA-CQSZACIVSA-N 390.465 0.532 30 10 GCEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1 727011148 ZHRLRPZNGOEVII-UHFFFAOYSA-N 384.436 0.574 30 10 GCEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 732492718 BLEXYXQXISITEM-VOTSOKGWSA-N 384.417 0.972 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CCN1C1CC1 732707269 YSACPUJGVTYBCW-QGZVFWFLSA-N 397.435 0.776 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 764249252 SBYLGTYPXGHAPE-OCCSQVGLSA-N 392.437 0.278 30 10 GCEE C#CCN(CC#C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769661874 RVCQSKFPRJPAGE-UHFFFAOYSA-N 392.405 0.917 30 10 GCEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C)nn1 783619371 VWSSZAITRSFPAX-AWEZNQCLSA-N 390.469 0.585 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCN2CCC(C)CC2)n1 787655816 WPVGWKMGPVRBIN-UHFFFAOYSA-N 389.500 0.339 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CCCC1 793871405 PEBUGNLHPZCEKU-IBGZPJMESA-N 379.526 0.715 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 812288083 UPVURTSHPVCIMJ-RRFJBIMHSA-N 397.501 0.248 30 10 GCEE C#CCN(CC(=O)N[C@H]1CCN(C)[C@H](C)C1)CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 820258203 JQAGXMIBKBPBAG-MKXGPGLRSA-N 391.560 0.119 30 10 GCEE C=CC[C@@H](NC(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1)c1ccncc1 828108069 DRCWWCBHCCUYPL-JJXSEGSLSA-N 393.465 0.085 30 10 GCEE COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cn1 845964177 OFISOHXKSVLJCT-HNNXBMFYSA-N 378.410 0.282 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 846735867 XNDIZZYPPNVQJI-DLBZAZTESA-N 387.436 0.852 30 10 GCEE Cc1ccc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1S(=O)(=O)NCC#N 848365551 MIUCKIOSKHBIJY-CQSZACIVSA-N 392.437 0.510 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 849964583 VIQIBKANVPZRCU-LSDHHAIUSA-N 376.409 0.957 30 10 GCEE CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 850664866 ZSAKQQRAPGPTAY-LIRRHRJNSA-N 393.488 0.416 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)CCNC(=O)OC(C)(C)C 851019910 TZURVTCLSUPBHN-GFCCVEGCSA-N 377.463 0.428 30 10 GCEE C#CCN(C)CCCNC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 856859624 PXTNXUROEQQNDN-UHFFFAOYSA-N 375.448 0.711 30 10 GCEE N#Cc1ccc(CC(=O)OCC(=O)N(CCC(N)=O)Cc2ccccc2)cn1 860248739 MRTLIVDNFKWCOO-UHFFFAOYSA-N 380.404 0.943 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2coc3c2C(=O)NCC(C)(C)C3)CC1 865156643 JDODBGMLNQVRCR-UHFFFAOYSA-N 386.452 0.099 30 10 GCEE Cn1cc(CNC[C@]23COCCN2C(=O)COC3)c(-c2ccc(C#N)cc2)n1 865797264 GPKTWHJBAFRTFG-HXUWFJFHSA-N 381.436 0.676 30 10 GCEE C=CCOC[C@@H](NS(=O)(=O)c1cccc(Br)n1)C(=O)OC 872482358 UUIHORZKEWVRPK-SECBINFHSA-N 379.232 0.867 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NCCS(=O)(=O)N2CCCC2)n1 897947234 DNSCJIAIDOUCHB-UHFFFAOYSA-N 397.501 0.100 30 10 GCEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 899111684 FGKYBRLFZYZYOW-MRXNPFEDSA-N 392.477 0.744 30 10 GCEE C#CC[C@@H]1C(=O)N(c2ncccc2S(=O)(=O)N2CCN(C)CC2)N=C1C 899350531 HCILRSXNWCJIDP-AWEZNQCLSA-N 375.454 0.380 30 10 GCEE C#CCN(CC(=O)N[C@@H]1CCO[C@H]1C1CC1)CC(=O)N[C@@H]1CCO[C@H]1C1CC1 928057108 BEUOMQZIAHRDAZ-JYWFKMLOSA-N 389.496 0.289 30 10 GCEE C#CCN1CCN(C(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1 932045919 JXUQTRWYBCLKRV-UHFFFAOYSA-N 396.491 0.421 30 10 GCEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 1117904319 BJEMRNCASJREHV-XDNAFOTISA-N 396.447 0.401 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](O)C(F)(F)C3)CC2)c(F)c1 1118502900 GBNFUBUXMHDIFU-HNNXBMFYSA-N 396.369 0.574 30 10 GCEE CCN(C(=O)C(=O)N(C)CCc1cccc(C#N)c1)[C@@H](C)CS(C)(=O)=O 1119005306 NYRUXPWZTVPKJF-AWEZNQCLSA-N 379.482 0.841 30 10 GCEE C#CCN(c1nnc(-c2cccc(OCC)n2)n1C)[C@H]1CCS(=O)(=O)C1 1121440226 GMLBQDPRJHYRPU-ZDUSSCGKSA-N 375.454 0.903 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H](O)/C=C\CC)n2CCOC)CC1 1122316427 KLVHKBRQBLMMAT-MWWKQMNYSA-N 375.473 0.890 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2cnccc2=O)ccc1F 1142922240 ZGJYAUONUQKNMC-UHFFFAOYSA-N 380.401 0.277 30 10 GCEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)C1 1179422946 LUJJOXBWAQGDPY-UHFFFAOYSA-N 393.461 0.859 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)OC)c2)CC1 1214753279 NQMUTMRRGPGAAC-UHFFFAOYSA-N 395.441 0.482 30 10 GCEE C[C@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)COc2ccccc2O1 1233677838 QOORHZNUDBOGPS-SFHVURJKSA-N 385.380 0.350 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)N(CCO)CCOCCO)C2=O)cc1 1234023969 OAUFAWANNTWJGJ-KRWDZBQOSA-N 390.440 0.066 30 10 GCEE CN1CCC(N2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1252403159 HQIYSKUQLLPKAI-HLAUDOPJSA-N 375.473 0.188 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 1261410711 GXCYFHNTMXOQFC-QZTJIDSGSA-N 379.416 0.566 30 10 GCEE CO[C@@]1(c2nnc(N3CCN(CCC#N)CC3)n2C[C@H]2CCOC2)CCOC1 1263528238 XVIVLKMEPKXUNJ-APWZRJJASA-N 390.488 0.612 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC(F)(F)F 1282793405 RHJHTVZTWXDTHN-KVSVUVNWSA-N 389.374 0.504 30 10 GCEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286601932 QGWSSMQWJRLHSV-CQSZACIVSA-N 378.477 0.676 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1286787162 PVKQMSYDBJBAFB-ZDUSSCGKSA-N 385.472 0.769 30 10 GCEE Cn1cnc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1=O 1290747856 JDTOYAVWOZDLJM-UHFFFAOYSA-N 377.408 0.782 30 10 GCEE N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(=O)nc1O 1301210719 DSLGYJSVUCKSNB-LLVKDONJSA-N 385.355 0.129 30 10 GCEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301568224 DVQAOEHVHJEYGO-OAHLLOKOSA-N 383.518 0.928 30 10 GCEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301609157 DVMCHXAHNRJMIY-CHWSQXEVSA-N 378.502 0.815 30 10 GCEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1 1309339425 WMEOFVDHMUARJF-CQSZACIVSA-N 381.516 0.482 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)n(CCC#N)n1 1319444954 YBTNOMCDFQTGFI-UHFFFAOYSA-N 396.455 0.988 30 10 GCEE Cn1cccc1[C@@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322696407 WSDHWZWFXBNVGV-DVEDPGPFSA-N 399.451 0.721 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 1324872011 XHANGMYIQJGGTJ-QGZVFWFLSA-N 387.436 0.480 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 1325457720 DNZXTZLKLXUPEG-OALUTQOASA-N 385.464 0.345 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 1330442866 SQNAUWUJIVLPNQ-INIZCTEOSA-N 396.447 0.607 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([C@H]3COC(=O)N3)CC2)CC1 1333138878 PFVBBUNAJMJFNV-MRXNPFEDSA-N 378.473 0.490 30 10 GCEE C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1336390492 GTTQDHMVRXXPJL-MQYQWHSLSA-N 378.429 0.755 30 10 GCEE C=C[C@@H]1OCC[C@H]1NC(=O)C12C3C4C1C1C2C3C41C(=O)N[C@@H]1CCO[C@H]1C=C 1339031136 WXXQQFQWIAVRMD-PCNJYNKZSA-N 382.460 0.644 30 10 GCEE Cc1nc2cc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2n1C 1339640016 BVAVOTVHWSFIAM-MSUUIHNZSA-N 396.407 0.463 30 10 GCEE C=CCn1c(C2CCC(O)CC2)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1340720900 XFNGXUABLQGMRQ-JTTJXQCZSA-N 396.513 0.877 30 10 GCEE C=C(C)Cn1c([C@H]2CCNC(=O)C2)nnc1N1C[C@@H](C(=O)OC)O[C@H](C)C1 1342258403 CMSUPKFISWVYOH-RDBSUJKOSA-N 377.445 0.615 30 10 GCEE C=C(C)Cn1c([C@H](O)COC)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1343270289 FCURXUXGQMCQNP-XYPHTWIQSA-N 384.502 0.795 30 10 GCEE 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10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)C1=O 1538199510 TXAFQVPCHURIBD-JLTOFOAXSA-N 399.403 0.762 30 10 GCEE C[C@@]1(C#N)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 1538538339 SYFTZEYLWIPCEP-QGZVFWFLSA-N 380.422 0.763 30 10 GCEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1540019504 AXPALLJPSWLNLX-AWEZNQCLSA-N 387.506 0.708 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccn(C)n2)CC1 1588930230 QQQIPRDNBWXYNK-INIZCTEOSA-N 397.483 0.530 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1594962561 LQBHCOPAOATQHI-OAHLLOKOSA-N 398.533 0.329 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)CC)C1 1595723522 XOUGPZCUKVUPGI-UPINHGDLSA-N 381.502 0.779 30 10 GCEE COC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCOC1 1611660175 GFXYLHZUHFEQAA-GOEBONIOSA-N 381.454 0.394 30 10 GCEE CS(=O)(=O)N1CC[C@@H](Cn2c(CC3CC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1620168266 AEEGRIIQGBDXGY-RHSMWYFYSA-N 396.492 0.954 30 10 GCEE N#Cc1cn(CC(=O)NCc2cccc(OCC(F)(F)F)n2)c(=O)nc1O 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COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 1654471756 BDLDOHUWNSEVSO-DGCLKSJQSA-N 397.453 0.757 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)NCCCn2ccc(O)nc2=O)CC1 1684601792 SDYHTNYUIIVXDS-UHFFFAOYSA-N 383.412 0.137 30 10 GCEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1689930798 ZNEWSRTYGMSHSZ-HNNXBMFYSA-N 393.513 0.699 30 10 GCEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1690030590 ZYAUIQBDPYAWJB-FQEVSTJZSA-N 382.468 0.455 30 10 GCEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1 1690175230 SCNVVRSLWDRESF-UONOGXRCSA-N 384.527 0.772 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1690671308 TXHJGYNLBDHLKT-CQSZACIVSA-N 381.502 0.863 30 10 GCEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1693746676 KQRMYRDLXXICCT-CQSZACIVSA-N 396.451 0.921 30 10 GCEE CNC(=O)CCN(C)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696987820 QBOOULXAMURUTM-ICFOKQHNSA-N 389.460 0.500 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCCS(C)(=O)=O)C1 1702542549 ZLLGDUOJHKCFMJ-JJXSEGSLSA-N 386.514 0.803 30 10 GCEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705729370 VFCVXYDDNNLVFA-CABCVRRESA-N 390.488 0.724 30 10 GCEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nncn1C 1710698248 UKZSQGJRDIQZOU-UHFFFAOYSA-N 395.427 0.526 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC1 1722439220 SWNNKNBRBCFFLH-UHFFFAOYSA-N 388.497 0.064 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1722719840 AMTQSRAMGWPQCE-YJBOKZPZSA-N 396.513 0.562 30 10 GCEE C=CCn1cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(C)(=O)=O 1740306004 WMHVRPIWQNVSAB-ILXRZTDVSA-N 379.482 0.971 30 10 GCEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1740601150 XDLYGPPERUKGEO-IBGZPJMESA-N 391.472 0.249 30 10 GCEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(C)n1 1748830199 QUNLEEVQEHFRCO-IBGZPJMESA-N 383.456 0.568 30 10 GCEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1750568606 AFJSCYZVPVSSFE-UHFFFAOYSA-N 395.467 0.867 30 10 GCEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccnc2c1ncn2C 1757724156 WVFBIYGPNBHQJT-KBMXLJTQSA-N 381.436 0.870 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CN(C(C)C)CCO1 1757791622 GBSUGWGBEFICNA-ZJPYXAASSA-N 377.485 0.384 30 10 GCEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1760196892 SWYFNIFUFVEVJK-UXPWSPDFSA-N 388.468 0.543 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)OC)C1 1760524025 NJPGEZWMWKVFGV-UONOGXRCSA-N 377.445 0.474 30 10 GCEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1762365079 ALVRZPUGBVSZTF-UHFFFAOYSA-N 376.424 0.958 30 10 GCEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1762618983 DVLYGPKHAUDIJE-UHFFFAOYSA-N 388.497 0.825 30 10 GCEE CCS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCO[C@H](C#N)C1 1766722468 ZSSWKQFOSDBEIF-CQSZACIVSA-N 382.490 0.289 30 10 GCEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CNC(=O)N1 1849677127 QTWGBJFORBAPDK-SJORKVTESA-N 389.452 0.719 30 10 GCEE CN1C[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)CC1=O 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N#Cc1ccccc1S(=O)(=O)NCCN=c1ccc(=Nc2cccnc2)[nH][nH]1 585423197 RDSHGILDYWKOOA-UHFFFAOYSA-N 395.448 0.721 30 10 GCEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CC1 590134600 GZUXAHCFVZAVCI-UHFFFAOYSA-N 389.437 0.795 30 10 GCEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 595131258 QLMBIGMESVSGJR-OALUTQOASA-N 384.480 0.943 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H]4COC[C@H]4C3)n2)cc1 595196616 FFHDDIMGRPWIKR-HZPDHXFCSA-N 380.408 0.631 30 10 GCEE CO[C@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCOC1 595678342 YOWZDUGXMIKTHY-GDBMZVCRSA-N 376.461 0.483 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC4(COC4)C3)C2=O)cc1 597306212 ZKBZKYRSFDFUJK-MRXNPFEDSA-N 382.420 0.419 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)CC2)cc1 599387285 UZAYZGKUICMXDB-GOSISDBHSA-N 388.443 0.789 30 10 GCEE N#Cc1cc(S(=O)(=O)N2CCO[C@H](CC(N)=O)C2)ccc1C(F)(F)F 599500551 TVEWPSSQKCEODU-SNVBAGLBSA-N 377.344 0.842 30 10 GCEE CC(C)[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 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30 10 GCEE N#Cc1ccc(C(=O)N2CC(N3C[C@H](C(=O)N4CCOCC4)CC3=O)C2)cc1 826779345 BKHZEQVNXCJQNY-MRXNPFEDSA-N 382.420 0.090 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 846337137 DEMIXTUQSDIRJN-INIZCTEOSA-N 376.438 0.942 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 846740625 LCZLKPQXCUXJCZ-CABCVRRESA-N 380.395 0.506 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 850903567 JPKDDNSYQWMQDT-OAHLLOKOSA-N 391.453 0.852 30 10 GCEE CC(C)[C@H](OC(=O)Cc1ccc(C#N)nc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 860248933 RZZNXPZXDWOZHQ-FUHWJXTLSA-N 393.465 0.757 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F 861885578 CSNAVSAUWQZEIT-LBPRGKRZSA-N 396.346 0.916 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 863434298 JSFGEKRAQQDZAV-IBGZPJMESA-N 384.480 0.740 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NCCn3ccnc3)cc2)CC1 900561110 MGCDOCOXUYYBGM-UHFFFAOYSA-N 394.479 0.502 30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)C1CCN(C)CC1 910888057 XADGGPQYWGPJHU-UZLBHIALSA-N 377.485 0.339 30 10 GCEE CN1CCc2c(cccc2S(=O)(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 921957894 DDWIBOSWURGMLV-RHSMWYFYSA-N 395.506 0.233 30 10 GCEE CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1=O 928721735 CDTKDGJLKGDEEV-IAGOWNOFSA-N 384.484 0.766 30 10 GCEE C=C1[C@H](C(=O)N[C@@H]2CCCN(CC)C2=O)[C@H]1C(=O)N[C@@H]1CCCN(CC)C1=O 928868341 RFZLGOMMXDMQEA-WCVJEAGWSA-N 390.484 0.043 30 10 GCEE N#Cc1ccc(NC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 931219786 MJIDKCHYSCYSSB-QGZVFWFLSA-N 376.482 0.692 30 10 GCEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 1116897212 CQVKARGBYSBGOH-GFCCVEGCSA-N 384.396 0.830 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1118670362 HIIYRXRCKMZCSB-QGZVFWFLSA-N 399.451 0.351 30 10 GCEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)O2)CO1 1119583738 ABMUGXYLRWUEBA-NVQRDWNXSA-N 376.457 0.028 30 10 GCEE C=CC[C@H]1N(C(=O)C(=O)N2CCC(O)(COCCO)CC2)CCCC1(C)C 1120454389 QQLWTQOYTQZZQI-MRXNPFEDSA-N 382.501 0.942 30 10 GCEE C=CCn1c([C@H]2CCNC(=O)CC2)nnc1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1121474245 PDRMMINBIGDXGF-QWQRMKEZSA-N 393.513 0.719 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1121539360 OMXDCQVYLVXMRZ-AWEZNQCLSA-N 392.529 0.543 30 10 GCEE C=C(C)Cn1c(N2C[C@H]3CN(C(C)=O)C[C@H]3C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1122481470 DKYNNNMNLRWUQM-AXVVYFOYSA-N 388.516 0.680 30 10 GCEE C=C(C)Cn1c([C@@H]2CC(=O)N(CC)C2)nnc1N1CCO[C@H](C(=O)OCC)C1 1122495110 OLCQTRBAKLGAGF-CABCVRRESA-N 391.472 0.958 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1122621952 XMGADYPDUFAQND-ILXRZTDVSA-N 383.518 0.605 30 10 GCEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCc2ccnc(C#N)c2)cc1 1156656338 RIJCFAIMXLSJFM-UHFFFAOYSA-N 386.433 0.745 30 10 GCEE CN1CCC(n2cc(NC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cn2)CC1 1254161818 HBMARSAJYRHLMS-UHFFFAOYSA-N 398.427 0.373 30 10 GCEE C=CCC1(O)CCN(c2nnc([C@@H]3C[C@@H](O)CN3C)n2C[C@@H]2CCOC2)CC1 1263542224 DSWWHAHBSCLYKK-BBWFWOEESA-N 391.516 0.960 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(CS(C)(=O)=O)COC2)C1 1263859202 GMNBCDCTLPBPEM-INIZCTEOSA-N 377.466 0.657 30 10 GCEE C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 1282775251 XYLIEPQZLQWJLB-QXSJWSMHSA-N 381.498 0.510 30 10 GCEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286707043 WOUGJXWELOJBGW-CQSZACIVSA-N 378.477 0.676 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286786147 YPDYPJCUAUWDLB-HNNXBMFYSA-N 381.440 0.453 30 10 GCEE Cc1ccc(C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1F 1291727703 FGRFWCQEQNMZSP-UHFFFAOYSA-N 399.382 0.253 30 10 GCEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 1293712350 BWHJSOVJDAREDA-NRFANRHFSA-N 398.463 0.630 30 10 GCEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CC1)N(C)C 1300509709 SMOBMQIALPTYOR-GOEBONIOSA-N 392.529 0.301 30 10 GCEE C#CCN(CCOC)c1nnc(C)n1CCc1ccc(S(N)(=O)=O)cc1 1300654153 VFWCAPPUSBOULV-UHFFFAOYSA-N 377.470 0.563 30 10 GCEE C=CCn1cc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)nn1 1300930571 ICMDMISXCJFDMR-KRWDZBQOSA-N 381.433 0.192 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301479408 ZKGCRGVTIICRRX-KGLIPLIRSA-N 375.477 0.650 30 10 GCEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC)C1 1301510343 URVDREFCDVRYDX-OAHLLOKOSA-N 390.488 0.708 30 10 GCEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1303410981 CUANMKLNYKNGLR-AWEZNQCLSA-N 391.476 0.307 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 1321462245 LSWJZVGCZKCSHS-YVJUNPPVSA-N 377.441 0.587 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1321525553 NYDWNQMUUMQDRP-LBPRGKRZSA-N 384.404 0.272 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1 1325256856 GYYBJQAGZPLJTD-KBPBESRZSA-N 391.428 0.032 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1325661571 FKHOLPNAVFAIHV-OAHLLOKOSA-N 378.450 0.269 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)CC1 1327649079 RNGKMGQVYYAKHC-ZBEGNZNMSA-N 387.383 0.563 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 1331365916 XHWIGABAPLLMPH-INIZCTEOSA-N 392.481 0.304 30 10 GCEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)C2)n1 1331458729 VKIFYMUCINKAFY-MSOLQXFVSA-N 375.429 0.290 30 10 GCEE C#CCN(C(=O)C(=O)NCCNC(=O)c1cccs1)C1CCN(C)CC1 1332596049 MZQXYOCYFHRIKT-UHFFFAOYSA-N 376.482 0.150 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCOc2cc(C(=O)OC)ccc2C1)[C@@H]1CCCO1 1333512739 FSMAJZSCRBQDBE-HOTGVXAUSA-N 386.404 0.491 30 10 GCEE C=CCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1340702383 QKUGTARDFMBECN-HNAYVOBHSA-N 388.516 0.824 30 10 GCEE C#CCN(c1nnc(CN2CCCC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1341603076 BFQJIYXHCNTAKB-HNNXBMFYSA-N 381.502 0.147 30 10 GCEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1343750106 AVGBFAXWYYDXFB-GHMZBOCLSA-N 395.407 0.986 30 10 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C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 582328362 VOISLZFEONWKOP-LSDHHAIUSA-N 396.465 0.631 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCOC2)c(C#N)cn1CCOC 591876274 LPGPEUIIAWDOMR-GFCCVEGCSA-N 378.385 0.026 30 10 GCEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)CC1 593404290 PNGGXUIQVDNUBI-MJAJYPSFSA-N 381.436 0.987 30 10 GCEE C[C@@H](CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)S(N)(=O)=O 593929960 XOTIQURENTWMSF-ZDUSSCGKSA-N 379.486 0.499 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 594635493 PWWMWNLLRVCTCQ-OLZOCXBDSA-N 387.483 0.534 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 595201589 YQVVUFYOYMTJDY-GJZGRUSLSA-N 380.408 0.881 30 10 GCEE COC[C@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 595804242 DKZDMZXUDULKTB-APWZRJJASA-N 380.489 0.333 30 10 GCEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCNC3=O)c(C#N)c2N)cc1 596654870 WSNIEUBLZHODIS-INIZCTEOSA-N 381.440 0.755 30 10 GCEE 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CC(C)NC(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 156643294 APCNVGQUFNUVKT-UHFFFAOYSA-N 378.498 0.474 30 10 GCEE Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCc4ccc(C#N)cc43)C2=O)cn1 270140473 DGDJTEJZKOUHSE-INIZCTEOSA-N 392.419 0.493 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 274239507 RRLIVGFEUKIHBR-UHFFFAOYSA-N 379.420 0.666 30 10 GCEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(C)[C@H](C#N)C3)CC2)C1 329943941 WMYNEVGCKHGIFI-SJLPKXTDSA-N 375.517 0.623 30 10 GCEE Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 369218646 JZKLDUXFFCCLNK-INIZCTEOSA-N 383.452 0.834 30 10 GCEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 370970098 VPEXXDKMBOUBQV-OXJNMPFZSA-N 381.436 0.652 30 10 GCEE CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 370984517 HQVNJRBEDUOPMK-QGZVFWFLSA-N 383.452 0.962 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCc3ccccc3C2)CC1 410491377 GSMWCYVLBFHNTC-UHFFFAOYSA-N 384.480 0.408 30 10 GCEE Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](CO)[C@H]3C)CC2)c1C#N 410745638 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N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)n1 544843528 WFRUXCJTWIQCTM-HNNXBMFYSA-N 388.453 0.622 30 10 GCEE C[C@@H](C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1)n1cnc(C#N)n1 555212249 DOLZKWHNVFGPTL-OLZOCXBDSA-N 376.442 0.584 30 10 GCEE C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 559759244 PYUPOXJAIHOPRH-INIZCTEOSA-N 384.484 0.450 30 10 GCEE COc1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)ccc1C#N 565411546 VEPZGIVRBWTXIN-QGZVFWFLSA-N 385.468 0.920 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)cc2C1=O 567234391 YHNNRZGOQLRGBG-OAHLLOKOSA-N 394.435 0.996 30 10 GCEE Cn1cc(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 569282727 LCGQOUSFPPQCSH-UHFFFAOYSA-N 397.826 1.428 30 10 GCEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 569971096 FRODQQPMUVXKFS-QZTJIDSGSA-N 389.452 0.241 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCOCC3)C2)c1 573505643 BSUPDFKROHLNJG-UHFFFAOYSA-N 385.467 0.290 30 10 GCEE CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC2)c1 584361558 VJDVMRXTVZDSLO-AWEZNQCLSA-N 387.483 0.882 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C 593593545 XGISNHVATUHVEU-DOMZBBRYSA-N 384.454 0.781 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 595200882 YQVVUFYOYMTJDY-CABCVRRESA-N 380.408 0.881 30 10 GCEE CC(C)(C#N)c1ccc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc1 599489028 MLJYCGROGBAGHT-UHFFFAOYSA-N 386.499 0.434 30 10 GCEE C=CCNC(=O)CN1CCN(Cc2cc(C(=O)OC(C)(C)C)nn2C)CC1 602431536 SMPQQKDTFBUEST-UHFFFAOYSA-N 377.489 0.795 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 626307373 ZMNNVLHTFWSOAS-HNNXBMFYSA-N 396.469 0.384 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 645065226 JCHSLVNYGOJREC-ZQIUZPCESA-N 386.452 0.188 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1 659777929 OHPQWZLLSDYNQZ-CXAGYDPISA-N 380.422 0.324 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 670213365 CAMLGBBIWKAZKG-HNNXBMFYSA-N 378.477 0.152 30 10 GCEE C=CCc1cc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc(OC)c1OC 729270943 IFEZNNSCTRIHBR-OAHLLOKOSA-N 389.452 0.899 30 10 GCEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)cn1 732561828 UGXXQLJOXWUUHL-UHFFFAOYSA-N 393.472 0.424 30 10 GCEE Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C3CC3)nc21 732663614 AQUFVJJVZMHJIV-ZDUSSCGKSA-N 394.435 0.724 30 10 GCEE CC(C)N(CCCNC(=O)COC(=O)Cc1cccc(C#N)c1)S(C)(=O)=O 750434367 STWXOLMDCCKCSG-UHFFFAOYSA-N 395.481 0.820 30 10 GCEE NC(=O)C[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 751396769 YSIVWFYNVWNFTM-LBPRGKRZSA-N 378.454 0.372 30 10 GCEE COCCn1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782600788 LCSAXLVRPFTLOQ-UHFFFAOYSA-N 394.254 0.079 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N(C)C)CCOCC2)n1 789013003 XVGHMFPFNCVWDB-UHFFFAOYSA-N 377.489 0.785 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)c(F)c1 802553502 BQYIEFJKYXGWMR-UHFFFAOYSA-N 387.390 0.963 30 10 GCEE N#CCNC(=O)CNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 807401653 SWQWVJFPFWFQKD-VWLOTQADSA-N 376.316 0.008 30 10 GCEE O=C(COc1cccc(I)c1)N[C@H]1CCN(O)C1=O 816694724 MFKWOTDMYAQNEZ-JTQLQIEISA-N 376.150 0.776 30 10 GCEE C#CCN(CC(=O)N1CC[C@H](CO)[C@@H]1CC)CC(=O)N1CC[C@@H](CO)[C@H]1CC 823284614 KNFQYOLVDDPZKV-SEXKYXSUSA-N 393.528 0.160 30 10 GCEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CN(C)C(=O)N2)n1 825485181 VJMKQRSLTGIZSC-SECBINFHSA-N 379.471 0.762 30 10 GCEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)nn1 829898681 KRGVJIZBNZOBGG-UKRRQHHQSA-N 383.460 0.287 30 10 GCEE C#CCN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 844308382 XWJQSEXCEVPQHX-MRXNPFEDSA-N 382.507 0.750 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 847560754 KAPVWMVALQKXSX-INIZCTEOSA-N 399.447 0.735 30 10 GCEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 860311290 MFVDOFLDRGSBAA-INIZCTEOSA-N 383.401 0.747 30 10 GCEE C#CC[C@@H](COC)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 861283228 QSZRNVVNGMVJAG-AWEZNQCLSA-N 397.449 0.911 30 10 GCEE COC(=O)C1=CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 862668649 QEFVCJXRKIHQQU-CQSZACIVSA-N 377.422 0.789 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2c(O)ncc(Br)c2C)CC1 865157248 WYQYTRFQWUFMPA-UHFFFAOYSA-N 395.257 0.365 30 10 GCEE Cn1nc2c(c1C=c1sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c1=O)CCCC2 872324890 TYQRKSDCDUSVPT-AWEZNQCLSA-N 395.488 0.728 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCCCNC(=O)CC2)cc1 889420684 UREAXOOROQYBQR-UHFFFAOYSA-N 377.466 0.731 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H](CC(C)C)NC(=O)OCC)C1CCN(C)CC1 929553476 VNGLSKLBEWHGQE-MRXNPFEDSA-N 394.516 0.819 30 10 GCEE CCN1CCN(C[C@@H](C)CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1116118394 HJGPXWPHLJVSDK-IJYGLTAASA-N 377.489 0.293 30 10 GCEE C=CCN(C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1119079785 BITMQMISMGKAAL-BBWFWOEESA-N 380.514 0.657 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1Cl 1119790075 CDESCUQYIYZWIW-DLBZAZTESA-N 390.871 0.885 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@](OC)(C(F)(F)F)C2)C1=O 1120344908 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GCEE C[C@H]1CC2(CCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349451553 CFBWYZYOVYZEBA-AWEZNQCLSA-N 388.515 0.650 30 10 GCEE Cc1cn2cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)ccc2n1 349578989 XHUQFQAQHIMWCW-GFCCVEGCSA-N 399.498 0.854 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc4ccccn34)CC2)C1=O 372563008 WIUREYDPBTUHGQ-UHFFFAOYSA-N 396.407 0.412 30 10 GCEE C=CCN1CC[C@H](N2CCN(c3ccccc3S(=O)(=O)NC)CC2)C1=O 410348700 MDZBDLYMWWUHPM-INIZCTEOSA-N 378.498 0.504 30 10 GCEE CN(C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)[C@H]1CCN(C2CC2)C1 410496933 HTEYIZCOGUBFRT-SFHVURJKSA-N 381.480 0.902 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCSC[C@@H](C(=O)OC)C2)CC1 422302733 YPENHHNYSHLGIR-AWEZNQCLSA-N 383.514 0.508 30 10 GCEE C=CCn1cc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nn1 424906540 FUHXZRNNNGRLTH-GOSISDBHSA-N 394.435 0.556 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 433446068 DIRPUPCAARYEPH-KRWDZBQOSA-N 381.521 0.117 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)CCO1 499654481 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CC(C)Oc1cncc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 594305838 OEOSSDRLNKYMPB-UHFFFAOYSA-N 395.423 0.818 30 10 GCEE CC(C)[C@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CO)c1 594635313 KPWWUARUWJBSET-RISCZKNCSA-N 375.472 0.172 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)n2)cc1 595154528 BQPBQVHZXJGKKX-HXUWFJFHSA-N 394.435 0.900 30 10 GCEE C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H]1CCO 595199607 PMRQZUVDDVGIKU-NVXWUHKLSA-N 385.468 0.611 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCC2(C(=O)O)CCC2)CC1 595276662 SXPXORXSVVPNMY-UHFFFAOYSA-N 388.399 0.717 30 10 GCEE N#CC1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CCN)CCCCC1 595279209 XWRRPFDQNBVCLS-OAHLLOKOSA-N 377.489 0.423 30 10 GCEE Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)c1C 595965157 NPDMIJPMFPITLF-UHFFFAOYSA-N 375.476 0.334 30 10 GCEE CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 611561669 IICIBZYVTRAEAB-OAHLLOKOSA-N 392.481 0.888 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cn1 613104261 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C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2Br)CC1 801079121 KISPQQZZADZTEU-UHFFFAOYSA-N 384.278 0.551 30 10 GCEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 803699745 ONBDUBYXQLDREO-UHFFFAOYSA-N 375.469 0.251 30 10 GCEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(C)n1 805206438 NCRXXIZGVFLAOL-AWEZNQCLSA-N 390.469 0.585 30 10 GCEE C#CCOc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 836015415 UYENQXYUIDFIBJ-JKSUJKDBSA-N 376.434 0.815 30 10 GCEE C#C[C@H]1COCCN1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 839197633 FNGGLXMCDRYSKU-NSHDSACASA-N 380.422 0.902 30 10 GCEE C#C[C@H]1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 847033356 PKCVAEPRZWQUIR-FXAWDEMLSA-N 397.475 0.842 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 850639545 OEYOXOSNAMEKTN-AAEUAGOBSA-N 382.413 0.858 30 10 GCEE COCC(COC)S(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 851501972 GFTJOROZABOBBX-UHFFFAOYSA-N 392.437 0.773 30 10 GCEE C#C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 854765912 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0.863 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](c3ccc(OC)cc3)C2)nn1 1119177934 WEMLZRCNIKDITM-KRWDZBQOSA-N 385.424 0.689 30 10 GCEE C=CCn1c(N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)nnc1[C@@]1(OC)CCOC1 1121517756 QPOWHYSVDCNKLR-CKEIUWERSA-N 382.486 0.597 30 10 GCEE C=C(C)Cn1c(Cn2cc(CCCO)nn2)nnc1N1CCO[C@@H](CCF)C1 1122525767 KREJFDFEZOYMNR-INIZCTEOSA-N 393.467 0.984 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1122616550 LYRGTQKOHMEKAJ-RRFJBIMHSA-N 397.501 0.603 30 10 GCEE C#CCN(c1nnc(C(C)(C)O)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1123113747 YVGCBCIYUHEEHH-ZIAGYGMSSA-N 382.486 0.169 30 10 GCEE C#CCN1CCN(c2nnc([C@@]3(OC)CCOC3)n2Cc2cc(C)on2)CC1 1123829431 NCVZQZJDEKBTQX-LJQANCHMSA-N 386.456 0.640 30 10 GCEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1140964698 XCRZLYFIGHIMEJ-IXDOHACOSA-N 384.436 0.996 30 10 GCEE C=CCOC[C@H](NC(=O)[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC 1155779044 FYYZMHVKIWHXOG-PXNSSMCTSA-N 376.453 0.874 30 10 GCEE CCOC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1198277174 BUGRQJFEOKURTD-CQSZACIVSA-N 375.429 0.388 30 10 GCEE C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](C(=O)OCC)C1 1262956152 HCPZKFLRJDFSLP-CABCVRRESA-N 379.461 0.189 30 10 GCEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1286504823 QJQUUZADGUNMMF-CABCVRRESA-N 393.513 0.837 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1286558003 ZICCMUWTQIVKQK-DLTWYDFYSA-N 386.456 0.939 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1286755976 FNEPYUSIQHTLGY-KBPBESRZSA-N 379.486 0.842 30 10 GCEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1288989670 KMUKXPUKTLBIIU-VQTJNVASSA-N 396.451 0.670 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1300464379 CHOAFEFULUAVSA-CABCVRRESA-N 397.501 0.105 30 10 GCEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300493234 SSYYNBYNWCSGRK-HZPDHXFCSA-N 394.497 0.588 30 10 GCEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1CC 1300512735 MDOBUMMKYMXXGN-IBGZPJMESA-N 383.456 0.663 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1300541428 UNLYDPJOUREBHA-INIZCTEOSA-N 391.435 0.325 30 10 GCEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1OC 1300635036 AORSNIKHPJGZGI-JKSUJKDBSA-N 375.473 0.912 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1301491266 NHMRITCMZFQOPZ-UHFFFAOYSA-N 395.471 0.636 30 10 GCEE C#CC1(O)CN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C1 1304595788 FFWYKYCITXFRAK-AWEZNQCLSA-N 377.422 0.653 30 10 GCEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(C(=O)CC#N)CC2)CCC1 1307776604 AEHIOBLJXIQTEA-AWEZNQCLSA-N 386.518 0.046 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1 1310169899 BISQZVIMWWNKQG-UHFFFAOYSA-N 390.440 0.897 30 10 GCEE C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1317080095 BCZISQWRPZRVPE-SWZHBTMOSA-N 376.457 0.047 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1321541136 MJINMPDJAWZXAC-OAHLLOKOSA-N 378.450 0.350 30 10 GCEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)NCC(=O)NCC2CC2)CC1 1323852826 CFSDRCYBKSZSFN-UHFFFAOYSA-N 399.451 0.402 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1 1324421311 ZVEHPEZZRLIZIO-UHFFFAOYSA-N 386.500 0.697 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCC1CC(c2ccccc2)C1 1324578245 RMTKXLMOOMTTQH-HNENSFHCSA-N 396.447 0.939 30 10 GCEE C#CCCCNC(=O)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1326134826 JBKSBEWODFJMMV-CQSZACIVSA-N 377.416 0.385 30 10 GCEE N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)cc1 1328340249 VMPDLRIZNYWGFV-HNNXBMFYSA-N 397.435 0.164 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1 1328849547 VUSPHKUYXWBHHB-CQSZACIVSA-N 377.445 0.285 30 10 GCEE COc1cc(CNC[C@H](O)CC2(C#N)CCOCC2)ccc1OCC(N)=O 1329596890 SGWROSPGQPVUAA-OAHLLOKOSA-N 377.441 0.720 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21 1330417753 JLZCFSUPEQKKFD-UGUYLWEFSA-N 382.468 0.938 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CC1 1330557557 AVVNJCWHRULCAY-WKILWMFISA-N 398.529 0.025 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 1330887436 HYLNIMGTHUDNMV-QWHCGFSZSA-N 393.465 0.790 30 10 GCEE N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(c3ccccc3)C2)CC1 1334627602 XXZVHOHZVNFIEC-UTKZUKDTSA-N 382.464 0.517 30 10 GCEE C=CCn1c(-c2cscn2)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1340741031 GLKBDYISHLOBMJ-OAHLLOKOSA-N 381.483 0.982 30 10 GCEE C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N1CCO[C@H](CCF)C1 1340747321 WLEMCRNOYJGNIW-OAHLLOKOSA-N 380.468 0.726 30 10 GCEE C=C(C)Cn1c(N2CCN([S@](C)(=N)=O)CC2)nnc1[C@@]1(O)CCSC1 1344027866 VWEANFAPXYRJMB-BZQUYTCOSA-N 386.547 0.892 30 10 GCEE N#CCC1(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 1345277315 AUFDRQWANCLGIU-INIZCTEOSA-N 397.479 0.815 30 10 GCEE C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1347636634 RQWBBMOIQRJEFE-NCOADZHNSA-N 379.457 0.075 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1351144251 PSEMIPLFHIXZSK-KRWDZBQOSA-N 382.464 0.466 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)c1ccns1 1351420984 FDIBDELCBNKNRP-NWDGAFQWSA-N 385.453 0.719 30 10 GCEE Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n(CCC#N)n1 1351593502 DJQWQYSOKJSZLJ-LBPRGKRZSA-N 392.441 0.209 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1359024232 IIVNIQGEOUSMAP-INIZCTEOSA-N 391.472 0.465 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(OC)CCOC2)CC1 1359039481 KUESMBDAOAKMGK-VQIMIIECSA-N 375.473 0.690 30 10 GCEE N#Cc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)nc1 1436868240 PDIFTKSLUREETJ-HNNXBMFYSA-N 384.417 0.400 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1=O 1461053934 OQKFMLXYDZVRIC-SJORKVTESA-N 396.447 0.696 30 10 GCEE CS(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1464478976 FLMVTNQJVXDANA-WUKNDPDISA-N 377.422 0.623 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnnn2CC2CC2)c1 1467338055 GFGJINJPYLJFNR-UHFFFAOYSA-N 378.389 0.449 30 10 GCEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2nc[nH]n2)CC1 1469573275 GTZQSKDNGCCHFR-UHFFFAOYSA-N 379.428 0.617 30 10 GCEE CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1471193637 JCFDPACEIXPOOE-UHFFFAOYSA-N 382.490 0.450 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)c1 1473004351 RJTJJSDLLOTCRP-IBGZPJMESA-N 394.391 0.517 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CCC)C(=O)C1 1508097207 OQEQBMPGIWBVMR-OAHLLOKOSA-N 390.488 0.881 30 10 GCEE N#Cc1cc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCOC2)co1 1526128982 LNJYDQAPGXUSET-GOEBONIOSA-N 384.440 0.967 30 10 GCEE C#CCN(c1nnc(CC)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539220355 RAYJUGDVOFDJOK-CVEARBPZSA-N 396.513 0.663 30 10 GCEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539510485 JCDKKNOODYRRPC-ZDUSSCGKSA-N 384.469 0.315 30 10 GCEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnn2)CC1 1539829345 XBVBBFOECLVIIV-AWEZNQCLSA-N 394.505 0.727 30 10 GCEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1540170766 QDQPVODLAWWWCQ-GJZGRUSLSA-N 382.486 0.774 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540867580 AECAPADKSDKDDD-CVEARBPZSA-N 395.467 0.890 30 10 GCEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1541995577 QMBDQLREGOMXRZ-QRWLVFNGSA-N 393.451 0.797 30 10 GCEE Cn1c(=O)[nH]c(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c1=O 1559274870 NCLZEKKRLRNNNC-KRWDZBQOSA-N 379.417 0.383 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1571884889 KEVQBLQVQFCMHJ-HWMZRRJGSA-N 388.468 0.574 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)C1=O 1586403914 YEULRIKEYVULNQ-LLVKDONJSA-N 381.392 0.993 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1588638617 VLHRKFZDNOAIAZ-CQSZACIVSA-N 390.444 0.158 30 10 GCEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC 1616909157 CMUCPBMJCLJSET-UHFFFAOYSA-N 398.471 0.544 30 10 GCEE COCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1619866937 CTYUROKZLSINLV-FBMGVBCBSA-N 399.455 0.893 30 10 GCEE C=CCOC[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)OC 1622074136 ULAUISPDKMDPLZ-AWEZNQCLSA-N 391.467 0.254 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCN(C(C)=O)CC3)n[nH]2)c1C 1624594206 BUASUYSWMSGXJQ-UHFFFAOYSA-N 399.499 0.970 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 1633743322 QDPFWGYMABCHGZ-AWEZNQCLSA-N 398.506 0.624 30 10 GCEE C#CCOc1ccccc1NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 1634340618 XESOFZNFTWCCBP-UHFFFAOYSA-N 381.454 0.471 30 10 GCEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 1635151471 DMLRKRYADYBLHV-UHFFFAOYSA-N 384.454 0.844 30 10 GCEE C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1C(=O)OC(C)(C)C 1638512328 CYMIINQEQOLHHG-RISCZKNCSA-N 376.413 0.789 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)n(C)n2)c1 1642791333 WEESFGFURBJAIQ-UHFFFAOYSA-N 376.394 0.371 30 10 GCEE CNC(=O)CN(CC(=O)NC)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 1644390917 QCJYDFMEVGDDJW-ZDUSSCGKSA-N 380.408 0.018 30 10 GCEE CCOC(=O)[C@H](C)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1651458456 XEPVLBFJFAGTHA-OLZOCXBDSA-N 393.465 0.883 30 10 GCEE CCN(C[C@H](C)C#N)C(=O)CN1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1655500172 QSUZDVFEZCNGGT-CQSZACIVSA-N 393.488 0.416 30 10 GCEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2COC)nn1 1664571043 RGRVHMBFQQHBIT-UHFFFAOYSA-N 380.426 0.876 30 10 GCEE CNS(=O)(=O)c1cccc(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1675772415 ALLHJWNNCGESHT-UHFFFAOYSA-N 394.453 0.583 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1689966620 XIIQJFZIRQMXIP-HNNXBMFYSA-N 398.533 0.021 30 10 GCEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690673503 WWJMNXGRFPOVFH-FQEVSTJZSA-N 395.467 0.425 30 10 GCEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)COCCOC)CCOCC1 1702909044 UKQWBINBNINQHE-IKGGRYGDSA-N 378.469 0.718 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(C)c2C)CC1 1705638552 OCGUGJRIAWEFGB-MRXNPFEDSA-N 382.472 0.075 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CCOC)C(=O)C1 1705934854 YXUABKAWRFHJHD-UHFFFAOYSA-N 397.501 0.051 30 10 GCEE CN(C)CCOCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1711017538 QPVCCSZHSPNALB-QGZVFWFLSA-N 385.472 0.571 30 10 GCEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnn(C)n1 1722353712 SKLYBBICTDSNLO-UHFFFAOYSA-N 376.384 0.235 30 10 GCEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCC(=O)N1CCOCC1 1748931123 MDWXFTOJSQNGIS-UHFFFAOYSA-N 382.468 0.972 30 10 GCEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)CC1 1749455041 RCARQUSRDNVCOY-UHFFFAOYSA-N 378.458 0.563 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2ncc(C)cn2n1 1757737369 QAVIQUICDTYUSU-ILXRZTDVSA-N 382.424 0.334 30 10 GCEE C#CCCCn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760153000 FGTMCYJDUUBFDP-UHFFFAOYSA-N 398.471 0.036 30 10 GCEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)CC1 1760401907 QFSGPNOSKXFOGD-ZDUSSCGKSA-N 382.490 0.181 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760509802 KOFGFXZJNBHGEK-UONOGXRCSA-N 396.517 0.523 30 10 GCEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCOC1 1760548520 INFXTCMHLLAFQD-ZDUSSCGKSA-N 385.490 0.242 30 10 GCEE CO[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C[C@H]1F 1853608991 WHVBXVRYQFUAFU-HIFRSBDPSA-N 395.412 0.763 30 10 GCEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(-n4cccn4)nn3)C(=O)C2)C1 1853741146 IQPQKTBEZIGVMF-HNNXBMFYSA-N 381.440 0.207 30 10 GCEE C#CCC(=O)O[C@H]1CON(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 1853898922 DCUSASNWBDVBOD-OAHLLOKOSA-N 392.433 0.857 30 10 GCEE C=CCN([C@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C1=O)[C@@H]1CCN(C)C1=O 1854225902 IILMULBTEWKZNJ-CABCVRRESA-N 387.440 0.125 30 10 GCEE C[C@H]1C(=O)N(C(=O)[C@H]2OCCc3ccccc32)CCN1S(=O)(=O)CC#N 1854744669 XLYIAGYTUIPFBR-WFASDCNBSA-N 377.422 0.213 30 10 GCEE COc1ccc(S(=O)(=O)C2CN([C@H]3CCN(C(=O)CC#N)C3=O)C2)cc1 1855454421 JLAMMGHRDQPVGK-HNNXBMFYSA-N 377.422 0.194 30 10 GCEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CC2=O)ccn1 1856167235 CJQYZEMFOLHIMI-JKSUJKDBSA-N 393.451 0.946 30 10 GCEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3cnccn3)CCC2=O)CC1=O 1856626999 ZXYIHDBWJACWBB-CVEARBPZSA-N 385.468 0.708 30 10 GCEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488423 WFKIMYAIWIITLA-UHFFFAOYSA-N 378.864 0.810 30 10 GCEE C#CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCOC1 1963658643 OVZJASLEPUVXOL-GJZGRUSLSA-N 379.457 0.705 30 10 GCEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NCC#CBr 1992167462 KVEVEHPUKMAWDF-SNVBAGLBSA-N 384.234 0.869 30 10 GCEE CN(C[C@H](O)CN(C)S(=O)(=O)N1CC[C@H](C#N)C1)C(=O)OC(C)(C)C 2054405654 NDUMLEKPWQEAGT-OLZOCXBDSA-N 376.479 0.236 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1 2172905847 WLIGIBPCGZNDMR-HIFRSBDPSA-N 396.469 0.849 30 10 GCEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)O)C(=O)C1 2180402406 NADDZIWAXXRIBH-QWHCGFSZSA-N 383.445 0.990 30 10 GCEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H]2COC[C@@H]21 2189097343 KWOSHVYYJKZEAB-LSDHHAIUSA-N 394.453 0.962 30 10 GCEE 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CCN(CCNC(=O)Cc1ccc(C#N)nc1)C(=O)Cc1ccc(C#N)nc1 599790607 CFQZMHARKDWCRL-UHFFFAOYSA-N 376.420 0.970 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C(=O)OC)O[C@H](C)C1 600045798 SHZIHNBLPNWIAK-ABAIWWIYSA-N 375.381 0.684 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 600762430 DVPLGENTCNARQB-XJKSGUPXSA-N 399.494 0.676 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 669038618 QRMKQBWEGVVPRE-AWEZNQCLSA-N 385.476 0.842 30 10 GCEE CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCB2OC(C)(C)C(C)(C)O2)C1 702475786 GVLDRGFNPKJDDH-GFCCVEGCSA-N 376.284 0.727 30 10 GCEE C#CCN(CC(=O)NCCOc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 729266094 UHNBUAIFVSUKLU-INIZCTEOSA-N 394.493 0.703 30 10 GCEE COc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)n1 749673473 XIUQEOISJDYKCV-UHFFFAOYSA-N 396.407 0.675 30 10 GCEE COC(=O)c1cccc(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1C#N 756170613 VUMWXBUTQNTECI-FPLPWBNLSA-N 383.360 0.499 30 10 GCEE O=C1C[C@H]([C@H]2CCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CN1 765286196 MLFNRWQHTCWHNU-GXTWGEPZSA-N 390.465 0.242 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCN(CCCOCC)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 774216660 CUYSKYAOYVOHRI-FGTMMUONSA-N 399.557 0.955 30 10 GCEE CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 780176807 JXGPOCKLXPNDML-KUHUBIRLSA-N 395.456 0.918 30 10 GCEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](O)c1ccc2c(c1)OCO2 787739120 LSBYOZRGFDVXPY-KIYVZYDUSA-N 387.392 0.870 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCOC(C)(C)C2)n1 788948574 CPJATPWIOHYQLR-UHFFFAOYSA-N 377.489 0.785 30 10 GCEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 792162684 AYVUQJYXCJTFMO-WMLDXEAASA-N 398.385 0.817 30 10 GCEE O=C1N=C(NN=Cc2c(F)ccc(I)c2F)NC1=O 794526071 MQIOQLYEVIEHSU-UHFFFAOYSA-N 378.076 0.505 30 10 GCEE C#CCN(CC(=O)N1CCOCC2(CC2)C1)CC(=O)N1CCOCC2(CC2)C1 821832986 MUDAEDBGGRUAEN-UHFFFAOYSA-N 389.496 0.200 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](OC)[C@H]2CCOC2)s1 824372394 BHDPDZVIVVIZKE-GXTWGEPZSA-N 388.511 0.923 30 10 GCEE C#CCN1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 829583287 YMVJNBKCHHGFGV-LSDHHAIUSA-N 378.473 0.278 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCSC[C@@H](C(=O)OC)C1)c1cc[nH]n1 840564161 CGOYJWACOSZMRI-NSHDSACASA-N 398.441 0.058 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 846278367 RQUFJKVLNXZABW-VQIMIIECSA-N 389.477 0.785 30 10 GCEE CCOC(=O)[C@@]1(F)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC12CCC2 849417137 JZLHNZIZLRFJRF-DOMZBBRYSA-N 375.422 0.213 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 850608216 BDCCGVSIUSFVOB-UHFFFAOYSA-N 398.423 0.713 30 10 GCEE CN(CCC#N)S(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 859399103 QIPLODBLFQSQNJ-RVMXOQNASA-N 394.419 0.808 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 859430223 PEQGDYRMNBBGFX-NSHDSACASA-N 375.244 0.865 30 10 GCEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2nccnn2)CC1 861944715 VMPFLWZWURSRLK-ZDUSSCGKSA-N 381.396 0.450 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 863432751 GPHITVBYSZBUNM-UHFFFAOYSA-N 394.435 0.397 30 10 GCEE CN1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC[C@H]21 867326844 PGSLIXQPJZPAQJ-DLBZAZTESA-N 382.468 0.154 30 10 GCEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 867717644 PQJXKYLTBGTOMK-UHFFFAOYSA-N 378.472 0.937 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 874991174 ZYTCUYVQKPQEKQ-ROUUACIJSA-N 391.443 0.470 30 10 GCEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 875923799 KVKOGIBHWNMARJ-OAHLLOKOSA-N 375.491 0.107 30 10 GCEE C=CC[C@H](C(=O)OC)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 878109628 UQRVKQYJMREHIC-MRXNPFEDSA-N 380.466 0.966 30 10 GCEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CCC2=O)cn1 929725557 KEDXFTUWKDIWGW-MRXNPFEDSA-N 393.451 0.779 30 10 GCEE C#CCN(C(=O)C(=O)NCc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1117538963 KHEUCEVQJDRVAS-GFCCVEGCSA-N 383.495 0.532 30 10 GCEE COc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)ccc1C#N 1117638131 JNGOFBDCHKGTTN-UHFFFAOYSA-N 384.396 0.106 30 10 GCEE C=CC[C@H]1CCN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 1119223991 VOKRFUYVCQXBBP-ZDUSSCGKSA-N 385.511 0.909 30 10 GCEE CSc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1C#N 1119492123 NVNQYDQWDTWEBO-IUODEOHRSA-N 376.482 0.732 30 10 GCEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C#N)CCCOC3)c2)CC1 1125409532 KLTOTSGTKSDJMD-SFHVURJKSA-N 392.481 0.882 30 10 GCEE C#C[C@H]1COCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1 1129748416 CGSGDBUORYGKSK-ROUUACIJSA-N 385.464 0.620 30 10 GCEE C#C[C@H]1CCCN(c2nnnn2CC2CCN(S(=O)(=O)C(F)F)CC2)C1 1262438202 TVRASRSKVBFICA-LBPRGKRZSA-N 388.444 0.787 30 10 GCEE C=CCn1c([C@H]2SCCNC2=O)nnc1N1CC(C)(C)O[C@@H]2COC[C@H]21 1262944100 HYRSQIJMJLOSNS-JHJVBQTASA-N 379.486 0.751 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnc(C#N)cn3)n2C[C@@H]2CCOC2)CC1 1263553475 JBUNGKJCXOZACJ-HNNXBMFYSA-N 378.440 0.398 30 10 GCEE CCN(CCC#N)C(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1264461868 JHWHIBDVEGTXPK-XMTFNYHQSA-N 377.533 0.963 30 10 GCEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)N[C@H](C)CC 1286416682 UYGWIPDZYDLXBO-MRXNPFEDSA-N 384.484 0.778 30 10 GCEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286484508 PKEOJSCGHILOSS-INIZCTEOSA-N 395.529 0.537 30 10 GCEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286626239 ZARPUMWLSDLOMX-GFCCVEGCSA-N 387.831 0.240 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)COCCOC)C2 1292341481 VFWREIWFMUYQLY-CLWJZODNSA-N 380.485 0.985 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](C)C1 1301482029 RTBQBRKQIHZZPA-KKUMJFAQSA-N 381.477 0.918 30 10 GCEE Cn1cc(C#N)c(NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C)CC3)c2)n1 1326933048 HZDRLCPORIWIAY-UHFFFAOYSA-N 395.466 0.923 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)C1 1327177710 QQJRQGRSJHSUGQ-ZDUSSCGKSA-N 387.440 0.559 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 1327356297 ZPKGEDYCOKJMQU-VBKZILBWSA-N 398.467 0.413 30 10 GCEE C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1329224342 CWYAFFWKSSIEOE-ZWKOTPCHSA-N 378.517 0.686 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC(=C)C 1341978181 OIODHWBSEAQPMU-HNNXBMFYSA-N 388.472 0.345 30 10 GCEE C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(=O)NCC(F)(F)F 1346915215 OPMMQLXRROPVMP-WOPDTQHZSA-N 377.363 0.506 30 10 GCEE NC(=O)c1cccc(OCC(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C#CC2CC2)c1 1347002545 REZAGZMFSKCFLX-NJAFHUGGSA-N 381.432 0.826 30 10 GCEE C=C[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1351523783 OPUYHYNMAVOZFR-VIFPVBQESA-N 375.834 0.034 30 10 GCEE C=CCn1c(C[C@@H]2CCCCC(=O)N2)nnc1N1CC[C@@](OC)(C(=O)OC)C1 1351910509 DZFPPFHWXVXYEB-LIRRHRJNSA-N 391.472 0.834 30 10 GCEE C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 1353851953 QSEQYNJDIDVSTE-XAUUPUKJSA-N 380.441 0.102 30 10 GCEE C#CCN1CCCC[C@H]1c1nnc(N2CCN(c3nncn3C)CC2)n1CC 1356501255 LBSPDAIUNSGTKY-INIZCTEOSA-N 383.504 0.913 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 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C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC2(CNC2)O1 2288571285 CSFZMGPYGWSZMK-NSHDSACASA-N 379.291 0.645 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCc3nncn3C2)OC1(C)C 2362508591 NLRUTSVQYKKCGA-JTQLQIEISA-N 375.263 0.779 30 10 GCEE CO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2362561700 IGZLAAJIDHYNOF-GHMZBOCLSA-N 382.247 0.614 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCn3cnnc3C2)OC1(C)C 2362566822 KCFWMZBHCZRYMO-SNVBAGLBSA-N 375.263 0.779 30 10 GCEE COc1[nH]c(=N[C@H]2C[C@H](S(C)(=O)=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365349118 ZTNIGSOKDOYUDB-HAQNSBGRSA-N 382.291 0.799 30 10 GCEE C#CC1(O)CCN([C@]2(C(=O)O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C2)CC1 2378943549 FUNXHQJEZGUETP-IFXJQAMLSA-N 382.457 0.926 30 10 GCEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 27901844 OEMZCTMZVJRNEQ-OAHLLOKOSA-N 387.484 0.293 30 10 GCEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCNCC3)C2=O)cc1 96573471 SWKFTLSGEBAWJL-FQEVSTJZSA-N 386.452 0.840 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 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1677720937 PZNJVHYRQZFRBH-QSJFSLAZSA-N 381.498 0.744 30 10 GCEE N#C[C@]12CN(C(=O)NCc3ncnn3-c3ccccc3)C[C@H]1CS(=O)(=O)C2 1682037580 ROYQKHMWGUVACN-SUMWQHHRSA-N 386.437 0.347 30 10 GCEE CCOC(=O)c1ncn(C2CCN(C(=O)NCC#CCN(C)C)CC2)c1N 1685773328 WDJLTIVQUKLQIG-UHFFFAOYSA-N 376.461 0.554 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1689851314 ORNXHMUGHIKTNQ-JJXSEGSLSA-N 396.513 0.690 30 10 GCEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1689937189 ROPOUFWMZJNOHR-UHFFFAOYSA-N 386.456 0.893 30 10 GCEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC(C)C 1690256229 HEEGSRRFIDHJOU-CYBMUJFWSA-N 386.522 0.815 30 10 GCEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1712648536 WHNMHYNJEJOYOP-FZKCQIBNSA-N 393.444 0.146 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2=O)C1 1719759715 QJZLDJGRLLJLAY-VQHPVUNQSA-N 393.484 0.037 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNC(=O)c1cc[nH]n1 1722378473 UQDBWIVVUGHKDJ-UHFFFAOYSA-N 376.424 0.510 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722684906 AOQSVLPVZSHQBK-CQSZACIVSA-N 398.471 0.931 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1722686043 PAKWZFURSWGESJ-GFCCVEGCSA-N 376.504 0.237 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722699214 SHUWDLUVZONMON-HZSPNIEDSA-N 381.502 0.575 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C2CC2)CC1 1740689422 WAPCYESQVWZVHZ-KRWDZBQOSA-N 386.500 0.694 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)CC1 1740695927 HPPASZMTGLSFBV-CQSZACIVSA-N 383.905 0.688 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1740955329 QKJOIABNEIPUHV-MRXNPFEDSA-N 382.424 0.985 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1 1749664493 OYTFTAUGSSHREC-UHFFFAOYSA-N 399.499 0.938 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186238 LLPINVUPCDLJRN-CVEARBPZSA-N 395.529 0.188 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1ccnc1C 1760224942 CZPIUDWEHOOBBM-ZDUSSCGKSA-N 379.490 0.553 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1760249591 ORUIMXRHYBBYIT-HNNXBMFYSA-N 396.513 0.571 30 10 GCEE NS(=O)(=O)N1CCC[C@@H](C(=O)NCC#CCN2CCc3ccccc3C2)C1 1850103305 PXHHQYCTJGQZEW-GOSISDBHSA-N 390.509 0.080 30 10 GCEE N#C[C@@H]1CC(=O)N(C(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)C1 1853246276 QHWAQVZFMDJBPP-JTQLQIEISA-N 395.297 0.831 30 10 GCEE CN1CCN(C(=O)CN(C)C(=O)CCON=C(N)c2ccc(Cl)cc2)CC1 1853415443 FYSKSKOLEAIZNG-UHFFFAOYSA-N 395.891 0.599 30 10 GCEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccn(CC)c(=O)c2)C1=O 1854226305 MAQLHITVZVPTHK-HZPDHXFCSA-N 386.452 0.328 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1=O 1854283450 FYQJQECFJVBNRE-YOEHRIQHSA-N 398.467 0.413 30 10 GCEE C[C@H]1C(=O)N(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1CCC#N 1856193547 QYGUFVKVFVPTFL-ZDUSSCGKSA-N 381.429 0.962 30 10 GCEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)n(C)n2)C1)[C@@H]1CCN(C)C1=O 1857055140 AHGBCTOGSWHRGB-NVXWUHKLSA-N 387.484 0.826 30 10 GCEE N#CC1CCN([C@H]2CCN(C(=O)CCn3nnc4ccccc4c3=O)C2=O)CC1 1857294257 OGJZKBQOEZFEBQ-KRWDZBQOSA-N 394.435 0.545 30 10 GCEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)Cn3cccn3)C2)C1 1857477303 IMWKRSVVPIJDEV-OAHLLOKOSA-N 394.435 0.678 30 10 GCEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891755732 BVKHPKXKSBDEQX-OCCSQVGLSA-N 379.442 0.142 30 10 GCEE C#CCO[C@@H]1CCCN(C(=O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)C1 1969920359 UNOSBWWUFHRFMJ-OAHLLOKOSA-N 377.445 0.944 30 10 GCEE C#CCOCCN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535296 YQLKBPLYYDSKCR-GOSISDBHSA-N 396.440 0.922 30 10 GCEE CC1(C)OB(c2ccc(NS(=O)(=O)CS(C)(=O)=O)nc2)OC1(C)C 2040765481 QWUWHJVVZLHDIH-UHFFFAOYSA-N 376.265 0.125 30 10 GCEE N#C[C@H]1CCN(S(=O)(=O)N=c2cnc(I)c[nH]2)C1 2046057467 VZDGLCOWBHOAHS-SSDOTTSWSA-N 379.183 0.005 30 10 GCEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 2124704445 BARPPUJEAGWYBR-RDBSUJKOSA-N 387.502 0.676 30 10 GCEE CC[C@H](C#N)S(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C 2218561480 LBOAFCRCGGTMRK-CYBMUJFWSA-N 379.479 0.766 30 10 GCEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)[C@H](O)C(=O)C1=CCS(=O)(=O)CC1 2224357792 UQJAPHTVTYYGBM-PBHICJAKSA-N 389.470 0.687 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](O)[C@H](O)C3)s2)OC1(C)C 2267369903 DCOZJRCFDYIOGI-GHMZBOCLSA-N 389.304 0.164 30 10 GCEE C=C(CS(=O)(=O)N1CCC[C@H](OCCO)C1)B1OC(C)(C)C(C)(C)O1 2267470503 LQQGKRGQAKZBDF-AWEZNQCLSA-N 375.296 0.977 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@@H]2O)OC1(C)C 2267708390 JDKFSTYGHNKFRM-JQWIXIFHSA-N 388.320 0.775 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCNC3=O)c2)OC1(C)C 2267719696 FCHJMJFZBHHCMI-LLVKDONJSA-N 386.304 0.604 30 10 GCEE CN(C)S(=O)(=O)[C@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2279225826 UAXWIYCKHHDAIJ-ZDUSSCGKSA-N 381.307 0.851 30 10 GCEE COc1cc(C(=O)NCCS(N)(=O)=O)ccc1B1OC(C)(C)C(C)(C)O1 2281983103 RRMJYQAHRMHQOW-UHFFFAOYSA-N 384.263 0.013 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@H](CO)[C@@H]2CO)OC1(C)C 2282023676 QFLBRTOYVLMHLQ-NEPJUHHUSA-N 382.291 0.648 30 10 GCEE CCn1cc(C(=O)N[C@H](CN)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282048891 RFBRBGTVKUYFLC-SNVBAGLBSA-N 376.188 0.822 30 10 GCEE Cc1cc(S(=O)(=O)N2C[C@@H]3C(N)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2282312440 WPWIKFAOPBVKFY-KBPBESRZSA-N 378.303 0.872 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](C#N)C1 2282321932 DIFCVCIWASNENK-NSHDSACASA-N 381.267 0.039 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC=CC[C@@H]1CO 2282333975 VVLOYFOHPDHZFO-GFCCVEGCSA-N 383.279 0.031 30 10 GCEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1ncc[nH]1 2282334326 ZVVHUDGIRCBWFQ-JTQLQIEISA-N 381.267 0.482 30 10 GCEE Cc1nn[nH]c1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282350421 MRSVGVIYVCCQPS-UHFFFAOYSA-N 378.263 0.891 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCOC4(CC4)C3)c2)OC1(C)C 2282352675 QJAAUCBSAOOIGG-UHFFFAOYSA-N 380.275 0.934 30 10 GCEE COC[C@](C)(O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282352855 RKPZTJMJHWJPAC-MRXNPFEDSA-N 386.279 0.057 30 10 GCEE C=C(CS(=O)(=O)NC1CN(C2CCOCC2)C1)B1OC(C)(C)C(C)(C)O1 2282494382 YVHOXKIPUXACJR-UHFFFAOYSA-N 386.323 0.957 30 10 GCEE CN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C#N 2282495439 MIYMUHSFHZTWIU-LBPRGKRZSA-N 397.331 0.876 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@]23CCOC3)n1 2282503615 CKMIRAIAGBTNTI-BLLLJJGKSA-N 383.279 0.177 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]3C[C@]3(F)C2)n1 2282504433 OQSUKWPPRWRSBH-ZBEGNZNMSA-N 385.270 0.842 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)NC3[C@@H]4CNC[C@@H]34)ccc2F)OC1(C)C 2282510051 TUCORSQQHLPSRJ-VXGBXAGGSA-N 382.266 0.621 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCn3cnnc3C2)OC1(C)C 2282518517 GCEVUTFOIBCZOF-SNVBAGLBSA-N 375.263 0.779 30 10 GCEE CN(CCc1nccs1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620368 DOSSFHJGMUAIRQ-UHFFFAOYSA-N 377.279 0.886 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H]3C[C@H]2CN3)OC1(C)C 2282831195 GNHMDNUCRHDLEB-TUAOUCFPSA-N 399.347 0.612 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@]2(C)CCO)n1 2282831756 DPPBOFURIMLCAH-INIZCTEOSA-N 385.295 0.255 30 10 GCEE COC[C@@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282845536 VBWQUVSAZXMWOX-HNNXBMFYSA-N 385.291 0.413 30 10 GCEE Cc1nc(S(=O)(=O)NC2([C@@H](C)O)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282845760 YWBILQQVZDFCLG-SNVBAGLBSA-N 385.295 0.219 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H](CO)C2(C)CC2)n1 2282846603 MBMZEMVFHODLPE-LBPRGKRZSA-N 385.295 0.159 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H](N)C1(C)C 2282848242 LBCZTVIUSNPZCO-NEPJUHHUSA-N 384.311 0.123 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CO)OC1(C)C 2282868083 INGUFLILKJLWIO-YDHLFZDLSA-N 379.287 0.987 30 10 GCEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C(=O)O 2284455703 LGLREAHSWDOJAW-GFCCVEGCSA-N 380.275 0.888 30 10 GCEE 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CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCCC#CCO)nn2)CC1 2369651730 CNPIBAPXKPBBCT-UHFFFAOYSA-N 377.445 0.966 30 10 GCEE Cc1ccc(S(=O)(=O)NCCC#CCO)c(B2OC(C)(C)C(C)(C)O2)c1 2369652320 LICJKAZEYSZYOE-UHFFFAOYSA-N 379.287 0.958 30 10 GCEE C#Cc1cc(NC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)ccc1OC 2370215145 MJNTYWSTVHLWCO-IMJJTQAJSA-N 376.409 0.956 30 10 GCEE C#CCNC(=O)CCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2376723186 PNGKYABQPAPHCE-LJQANCHMSA-N 379.457 0.960 30 10 GCEE C#CC(CO)(CO)NC1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2377356345 CTQQKRPLSYNPKS-UHFFFAOYSA-N 396.362 0.376 30 10 GCEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 27901848 OEMZCTMZVJRNEQ-HNNXBMFYSA-N 387.484 0.293 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 65685278 UNFQEXFHEPGDAB-UHFFFAOYSA-N 396.469 0.766 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 105264477 KMLSNVXIEYFAKW-QGZVFWFLSA-N 384.480 0.794 30 10 GCEE CN1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 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C#CC[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)OC 837938973 QQFDRXZOHCKSHK-RDJZCZTQSA-N 383.404 0.143 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 843680084 YXNOJWNBEADWHI-OAHLLOKOSA-N 389.477 0.683 30 10 GCEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1Cl 845461951 DTQQOHVJWGWCOQ-LQZWOCCTSA-N 379.825 0.931 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1)C1CCOCC1 850687823 IHWDSIHRXWWCBS-CQSZACIVSA-N 384.396 0.154 30 10 GCEE C[C@H](CC(=O)NCC1(C(=O)O)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 851702616 HRCMNQLGZOLEGU-LLVKDONJSA-N 379.438 0.875 30 10 GCEE O=C(C#CC1CCNCC1)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 852861147 PLNTYNIEJPRQTK-UHFFFAOYSA-N 386.471 0.984 30 10 GCEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3c2CCC3)c1=O 853444633 JDUTYCPCIKWDTD-UHFFFAOYSA-N 381.461 0.020 30 10 GCEE O=C(CON=C[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 853755778 YVNFBZADHHPFOT-HNNXBMFYSA-N 397.453 0.827 30 10 GCEE C#CC[C@@H](COC)NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 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CC#CC[C@@H](CO)NC(=O)Cn1nc(Br)c(Br)n1 911607659 WOZVSQZTWNTTMZ-ZETCQYMHSA-N 380.040 0.694 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](Cc3nccs3)C2)CC1 1120457943 SDYXCPJFTFRFHT-CQSZACIVSA-N 388.493 0.522 30 10 GCEE C=CCn1c(N2CC[C@H](COCCOC)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1121606667 BHMZSDYZRSWMHI-FRQCXROJSA-N 379.505 0.865 30 10 GCEE C=C(C)Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CCO[C@H](CCCN(C)C)C1 1122591686 QDXZGBFGHZGDPO-HZPDHXFCSA-N 392.504 0.887 30 10 GCEE C#CCN(c1nnc(C2(OC)CC2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1122857423 QOARMVCYXDLSHR-CABCVRRESA-N 394.497 0.719 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(O)(c3nccn3C)CC2)CC1 1197449254 IYCUQZKLPZJSKF-KRWDZBQOSA-N 388.516 0.396 30 10 GCEE C=CCn1c(C[C@@H](C)O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1262955670 OCNUMIIXSPHNDE-CVEARBPZSA-N 390.532 0.957 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCNS(C)(=O)=O 1286462356 IKOLZYDRAKWSCM-UHFFFAOYSA-N 392.485 0.284 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@]2(C)COCCO2)CC1 1286489861 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CC1(C)OB(c2csnc2C(=O)N2C[C@H](O)CC[C@H]2C(=O)O)OC1(C)C 2284455587 UZBMQNHNHSIYKI-KOLCDFICSA-N 382.247 0.492 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CC[C@@H](C(=O)O)O3)ns2)OC1(C)C 2284460206 WQJDRDCYXAIJQB-KOLCDFICSA-N 382.247 0.804 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCN(CC(=O)O)C3)ns2)OC1(C)C 2284482601 JSOOKZRGWFSYFI-JTQLQIEISA-N 381.263 0.331 30 10 GCEE CSCCN(CC(=O)O)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2284492685 QXLLSRMLKPCQRP-UHFFFAOYSA-N 383.279 0.609 30 10 GCEE C[C@@H]1CC[C@H](C=O)N(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2313853369 ORFPDVPPYCMRRB-JHJVBQTASA-N 376.475 0.750 30 10 GCEE CC1(C)OB([C@@H]2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2319669360 OLVJSBPJRZJPNW-VXGBXAGGSA-N 379.309 0.671 30 10 GCEE C=CCN(CC(=O)NC[C@@]1(O)CCCS(=O)(=O)C1)C(=O)OC(C)(C)C 2319754269 IYXWQKVAVQBNPI-INIZCTEOSA-N 376.475 0.465 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCCN(C)S(C)(=O)=O)[nH]1 2362159655 INBGNOQTXMSPGD-UHFFFAOYSA-N 383.323 0.805 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)OC1(C)C 2362500335 GCIYVRKIZMSPRV-LFSVMHDDSA-N 380.275 0.256 30 10 GCEE CCN[C@H](C#Cc1cnn(C)c1)[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1 2366171738 ACIVYJRAGDXNFM-VQIMIIECSA-N 378.473 0.748 30 10 GCEE C/N=C(/NCc1ccc(N2CCOCC2)nc1)N1CCC[C@@]2(CNC(=O)C2)C1 261770637 NZXRNJZRTXWRQE-HXUWFJFHSA-N 386.500 0.596 30 10 GCEE CC/N=C(/NCC(=O)NC(C)(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261782590 PLJBFXGHFWVOCV-SFHVURJKSA-N 380.493 0.177 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1 282977062 STJKDDIWAZSPLX-CYBMUJFWSA-N 389.437 0.029 30 10 GCEE C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 283878727 DVMPPTAINVZXBY-MRXNPFEDSA-N 384.484 0.450 30 10 GCEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 287998501 APCDWEZEMCXGKT-NSHDSACASA-N 376.335 0.734 30 10 GCEE Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/[C@H]2CCc3ncnn3C2)o1 329967669 WIMQPGIKBQWNSB-AVGNSLFASA-N 378.412 0.747 30 10 GCEE O=S(=O)(c1ccc(N=C(O)N2CCN(C3CC3)CC2)nc1)N1CCOCC1 330065889 DHYCHBYYHQFVIF-UHFFFAOYSA-N 395.485 0.428 30 10 GCEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 330588278 OOKGBBNPZFSKNW-LBPRGKRZSA-N 376.363 0.902 30 10 GCEE CCOC[C@H](/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C 331004319 AZZGYMJJBDMLIS-HNNXBMFYSA-N 392.522 0.156 30 10 GCEE C[C@@]12CN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 349602827 AOYVUUQTFKTYJS-UGUYLWEFSA-N 387.527 0.683 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)C1=O 425038437 LSYDUKLHLKDNEU-JSGCOSHPSA-N 393.440 0.932 30 10 GCEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 446636058 DVLGNCXGSVWFIM-QDIHITRGSA-N 387.440 0.975 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1C#N 451498381 KRMOAVSCWYBKJZ-IAQYHMDHSA-N 389.474 0.835 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)COCC(=O)NCc2cccnc2)cn1 461749166 SXRVCWRPKGEABY-UHFFFAOYSA-N 391.391 0.805 30 10 GCEE C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 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CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CCC2)c1 574340166 WNEPYAMOWNGTSB-LBPRGKRZSA-N 387.483 0.460 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1 594631354 FQOVGEMYNPXSQK-DOMZBBRYSA-N 387.483 0.318 30 10 GCEE CO[C@H](CS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCOC1 594751586 XNODHLOBTORPLP-JKSUJKDBSA-N 380.470 0.457 30 10 GCEE Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 597506342 INIPPSKAWZGYFY-UHFFFAOYSA-N 375.410 0.465 30 10 GCEE COC[C@]1(C)CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 600100377 WLJMQJCACHWUQM-IBGZPJMESA-N 398.423 0.650 30 10 GCEE CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 600710934 QWLCPPYJFMCKRW-ZDUSSCGKSA-N 395.460 0.130 30 10 GCEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 618851483 NMVANFJOLDSNBF-LJQANCHMSA-N 397.479 0.732 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(s2)C(=O)NC(C)(C)C3)C1=O 650893842 FUNFOWOXHASCKE-UHFFFAOYSA-N 391.409 0.123 30 10 GCEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](OCC)[C@H](CN)C2)cc1 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CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)c1 787600615 NKNZZWWMQSMVFT-JTQLQIEISA-N 383.401 0.842 30 10 GCEE C=CCCCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793825710 IDCDTTZIRDUJFJ-UHFFFAOYSA-N 382.461 0.264 30 10 GCEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 795103096 IGXWCLMCRAKXJK-MRXNPFEDSA-N 380.518 0.422 30 10 GCEE C[C@@H](C(=O)OCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)n1cnc(C#N)n1 798744096 OXNPUFWGZRVHMA-GJZGRUSLSA-N 382.424 0.897 30 10 GCEE C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 807013545 WWUNUBFVITZEJM-STQMWFEESA-N 389.408 0.071 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC(Cn2cncn2)CC1 846271491 GWAMBOJSAOKZKQ-SFHVURJKSA-N 396.451 0.580 30 10 GCEE C=CCCn1cc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)nn1 848713481 XJOSWVSSCZKYEZ-UHFFFAOYSA-N 392.437 0.906 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 850606812 JDJLFQOFQGLWLR-UHFFFAOYSA-N 389.408 0.293 30 10 GCEE C#CCCN(CCOC)C(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 850709969 ODVAITNJUQIHPT-UHFFFAOYSA-N 397.426 0.421 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 850782086 GMDLLWWLCBHUDY-AWEZNQCLSA-N 392.441 0.153 30 10 GCEE C#CCN(CC(=O)N1CCN([C@@H]2CCNC(=O)CC2)CC1)C(=O)OC(C)(C)C 854883765 ILXNICVDSGZRHO-INIZCTEOSA-N 392.500 0.670 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 859426863 NCTVOTQUMNFZHT-AWEZNQCLSA-N 386.495 0.788 30 10 GCEE C#CC[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1 862564143 UFWCIOJNQMDJQI-ZDUSSCGKSA-N 376.434 0.963 30 10 GCEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)C(=O)O 864185084 SOMPUIGRECGLHZ-JTQLQIEISA-N 376.818 0.929 30 10 GCEE CS(=O)(=O)N1CCN(CCNc2cc(C(F)(F)F)cc(C#N)n2)CC1 865460315 JXDXORVSEPEGIS-UHFFFAOYSA-N 377.392 0.961 30 10 GCEE C#C[C@H]1COCCN1S(=O)(=O)c1c(C)nn2cc(Br)cnc12 867387542 OSVTUSYVBJPTLY-NSHDSACASA-N 385.243 0.823 30 10 GCEE C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(c2ncc(CC)s2)CC1 875598985 MRGSPTVTLBUTHH-CQSZACIVSA-N 378.498 0.899 30 10 GCEE 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0.500 30 10 GCEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 669076847 NEXPHOGLESSFGR-KGLIPLIRSA-N 387.506 0.658 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 670209288 LAVUVHKVFCJOMV-KGLIPLIRSA-N 385.490 0.460 30 10 GCEE NCC#Cc1cccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 703971808 JORVYGSJMCPXNH-UHFFFAOYSA-N 397.456 0.712 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CCN1C1CC1 732705983 AOZQOYZLQZYCOA-SFHVURJKSA-N 383.452 0.660 30 10 GCEE C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 752119240 HHCPNWUGKCOSFJ-RNODOKPDSA-N 398.419 0.474 30 10 GCEE N#CCCNC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780256801 ZTUOHMXSJCGFOA-GOSISDBHSA-N 375.381 0.645 30 10 GCEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnn(C)n2)C1=O 782883849 LHQYBDSPFPAYJP-NSHDSACASA-N 377.405 0.617 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccccc1CCOC)[C@H]1CCS(=O)(=O)C1 786424179 LWTRKJKTOCQIHY-HNNXBMFYSA-N 378.450 0.463 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(COC)C(=O)O)c1 818312229 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C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)C1CCOCC1 856115111 VAIGZQHWTNASMH-OAHLLOKOSA-N 396.465 0.527 30 10 GCEE C#CCCOc1ccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1 857057165 CGONTCCBYBLOKZ-RDJZCZTQSA-N 385.420 0.756 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cncc(N3CCCC3=O)c2)CC1 859224735 IEYWPWSDGUINOJ-UHFFFAOYSA-N 383.452 0.106 30 10 GCEE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 867735249 IDWUJUWFOYMFDW-PIKADFDJSA-N 382.464 0.967 30 10 GCEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCO[C@@]3(CCS(=O)(=O)C3)C1)C2 869193294 OLLANXPXLJJBCP-AEFFLSMTSA-N 375.450 0.625 30 10 GCEE C=CCN1CC[C@@H](OC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)C1=O 873466337 WCKWPMXTVHWYGZ-AUUYWEPGSA-N 398.456 0.969 30 10 GCEE C=CCc1cc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc(OC)c1OC 886193332 SXZZAYIPPOWJHB-CQSZACIVSA-N 381.454 0.407 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)C1 910883495 WQDYIWZLXRNQGA-XDNAFOTISA-N 378.469 0.670 30 10 GCEE 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C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1281614754 RLMCMCKFUCNTSR-HZMVEIRTSA-N 390.484 0.442 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](C)C1 1281797523 QXTKWWOJVJJHLL-DDBAPUKQSA-N 379.501 0.651 30 10 GCEE C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN(C)C(=O)C2CC2)cn1 1282749080 PMYDURVBCXVFCY-KURKYZTESA-N 380.448 0.793 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1286298071 ZRKDOUSKVRVMMN-SOUVJXGZSA-N 398.533 0.019 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1286416181 WKSDIDCNEAGMDE-YLAKUSLOSA-N 388.468 0.615 30 10 GCEE C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H](C)C1 1289369255 WTWMGPWBAUYDJS-XLNGHYISSA-N 375.469 0.152 30 10 GCEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1291189698 GVGJQOHNAITQBY-OAHLLOKOSA-N 398.467 0.883 30 10 GCEE C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N 1291309497 HYXLGCPYTVGTMS-HZPDHXFCSA-N 389.504 0.860 30 10 GCEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300336597 KLHJCMYTQYMUSJ-OAHLLOKOSA-N 386.456 0.958 30 10 GCEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300479341 LYLCHIMACPVWND-OAHLLOKOSA-N 393.513 0.843 30 10 GCEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1301305455 YOMLIXIQHAWYIH-SFHVURJKSA-N 390.513 0.958 30 10 GCEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301498526 PVFGSZLAVCALTC-INIZCTEOSA-N 385.472 0.868 30 10 GCEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301518085 FCQKGFXYIMBRNU-HNNXBMFYSA-N 390.488 0.708 30 10 GCEE CC1(C#N)CCN(C(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 1321409749 NWILPMKYHANEPO-UHFFFAOYSA-N 384.502 0.507 30 10 GCEE C#CCN(C(=O)C(=O)NCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1322607132 LUIIPMYVESJABZ-GFCCVEGCSA-N 397.522 0.706 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 1325472715 AMZUPQMNMPCTQY-VQTJNVASSA-N 398.507 0.342 30 10 GCEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](OC)[C@H]1CCOC1 1327328675 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C=CCn1c(CCOCC)nnc1N1CCOC2(CCS(=O)(=O)CC2)C1 1338749243 KCIMVAJBHZGEEF-UHFFFAOYSA-N 384.502 0.827 30 10 GCEE C=CCn1c(N(C)CC(C)(C)S(C)(=O)=O)nnc1[C@]1(C)C[C@@H](O)CN1C 1340560116 WQUDHLBWJZMTSM-DYVFJYSZSA-N 385.534 0.635 30 10 GCEE C=CCn1c(N2CCO[C@H](CCCN(C)C)C2)nnc1[C@@]1(C)C[C@H](O)CN1C 1340571315 NCABOGKAKQGNDS-SQGPQFPESA-N 392.548 0.923 30 10 GCEE C=CCn1c(C[C@@H]2CCOC[C@@H]2OCC)nnc1N1CCO[C@H](C(=O)OC)C1 1342385007 NDMBZXDIXQTJPJ-JYJNAYRXSA-N 394.472 0.826 30 10 GCEE C=C(C)Cn1c(CCCCCO)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1343692029 OUMJYRYWCVOHDY-XHSDSOJGSA-N 398.529 0.808 30 10 GCEE C#CCN(C(=O)C(=O)N1CCSC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 1344709140 XGRLBMHBXJYVFI-HNNXBMFYSA-N 398.550 0.914 30 10 GCEE N#CCC1(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 1345277353 AUFDRQWANCLGIU-MRXNPFEDSA-N 397.479 0.815 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN(C)C(=O)COC)C1 1347964718 OCJZGOUCXZDRMF-QOIOWGMHSA-N 393.484 0.180 30 10 GCEE C=C[C@@H](COC)NC(=O)C(=O)N1CCc2c(C(=O)OC)ccc(OC)c2C1 1349366980 DFHRUMFHMILDLE-LBPRGKRZSA-N 376.409 0.684 30 10 GCEE N#CCOc1ccc(CNC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 1349708502 YASYAKKPYZMNQZ-UHFFFAOYSA-N 394.435 0.792 30 10 GCEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1C#N 1353548349 SNOPFOUCIPIGOA-UHFFFAOYSA-N 384.436 0.700 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1358949174 USLHXYBSYGAKML-CVEARBPZSA-N 379.530 0.982 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1358978999 ZWMOGYMTGUSSAR-SFHVURJKSA-N 384.484 0.019 30 10 GCEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1359292206 KGLLVGZIUHYRGV-UHFFFAOYSA-N 375.477 0.698 30 10 GCEE CN(C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1Cl 1440365870 BGINDWFNIUVZOO-CQSZACIVSA-N 375.816 0.893 30 10 GCEE N#Cc1ccc(NCC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nc1 1440814974 CTVNQOIKUBCSSB-IBGZPJMESA-N 378.436 0.736 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2cc(C(=O)OC)on2)CC1 1469510577 XZCDJKLONRMWBV-UHFFFAOYSA-N 385.442 0.951 30 10 GCEE N#Cc1cccc(-n2ccc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)n2)c1 1471389234 AEVAHQKSQUFALO-MRXNPFEDSA-N 379.420 0.847 30 10 GCEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)OC 1471895440 POVQJWPPUXHRHQ-CYBMUJFWSA-N 394.453 0.855 30 10 GCEE C=C[C@](C)(CCOC)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC1CC1 1490694139 STCRXGFZXDAARJ-NARAOEGZSA-N 377.485 0.990 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NCC)CC1 1508073038 IHHRMFLZJFMYRI-OAHLLOKOSA-N 391.520 0.352 30 10 GCEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1508090004 LIRNVUILTPOWCM-UHFFFAOYSA-N 390.488 0.533 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1508091017 LDNPNECSRFJELZ-HNNXBMFYSA-N 390.488 0.389 30 10 GCEE C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cnn(C)c1 1515186138 WMVOQRNLAJDGEM-YQFWSFKMSA-N 387.484 0.699 30 10 GCEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](NC(N)=O)C(C)(C)C 1522169086 WGIFBATYLRATIR-HOSILWTGSA-N 380.489 0.910 30 10 GCEE C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[C@H]1NC(=O)NC1=O 1522321886 VTDULVPHFIASOC-SYQHCUMBSA-N 376.457 0.825 30 10 GCEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 1535781322 ODDVCCWBPDLMHB-LBPRGKRZSA-N 379.438 0.926 30 10 GCEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1N1CCOCC1 1539124618 BYOKLXOIXNJXIA-QFBILLFUSA-N 389.477 0.842 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCNS(=O)(=O)CC 1539263235 BVDJUKLQTSLGFO-INIZCTEOSA-N 393.513 0.922 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC(C)C 1539340002 AYLIBQOLAQERER-UHFFFAOYSA-N 396.517 0.301 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(O)CC(OCC)C2)CC1 1539469440 RVROJIKKQHEQRL-UHFFFAOYSA-N 375.473 0.482 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1539982690 PQJAEPOFVMQXDN-CYBMUJFWSA-N 398.533 0.959 30 10 GCEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540863584 YRVOODNFKYQCJP-INIZCTEOSA-N 376.505 0.862 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1540871998 ZIFRENPCUHPCPY-ZDUSSCGKSA-N 397.501 0.098 30 10 GCEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F 1541654549 DMKDZLCRVUDOSD-UHFFFAOYSA-N 397.430 0.928 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@H](C(N)=O)C3)C2)C1 1544363621 VIPAQLXXBSCRMC-UWCWSIQASA-N 392.456 0.486 30 10 GCEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCNC2=O 1558132879 KZHPWNJZKYLVIO-LBPRGKRZSA-N 392.460 0.887 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cncs2)cc1 1558343526 ZLWIKSADTZVZEL-CYBMUJFWSA-N 380.451 0.798 30 10 GCEE C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C(=O)OC(C)(C)C 1570684797 JNSMUUKWQLDASW-AAEUAGOBSA-N 376.413 0.647 30 10 GCEE CN(CCCC(=O)N1CCO[C@@](C)(C#N)C1)C1=NS(=O)(=O)c2ccccc21 1585431759 KHQMTPWKKLMWIW-SFHVURJKSA-N 390.465 0.989 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C 1587652125 VEAFWOHXRDUAIF-CQSZACIVSA-N 376.486 0.613 30 10 GCEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1593800012 IFZJACJAFGKXAD-UHFFFAOYSA-N 390.897 0.250 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cnccn2)CC1 1595805840 VTNCDZPVNFOKJN-UHFFFAOYSA-N 391.501 0.558 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnc2n1CCCC2 1621926770 DBPBFIKYCRXDDZ-CYBMUJFWSA-N 387.469 0.780 30 10 GCEE CS(=O)(=O)Cc1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)co1 1623669229 KPBHERRFEOFSMD-UHFFFAOYSA-N 375.410 0.448 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 1627057668 PYJZWFBTOWIIQZ-ICSRJNTNSA-N 392.544 0.664 30 10 GCEE CC1(C)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1CCO 1634214973 DTRSPJNRSBVIGY-UHFFFAOYSA-N 383.445 0.652 30 10 GCEE N#Cc1ncn(CC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)n1 1636637716 AGMXFYIWKZEDMV-LBPRGKRZSA-N 389.213 0.982 30 10 GCEE N#Cc1cn(C2CN(C(=O)c3ccc(NC(=O)C4CC4)s3)C2)c(=O)nc1O 1637512697 BVMPKRRXJZYXOQ-UHFFFAOYSA-N 385.405 0.928 30 10 GCEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(N)=O)C(=O)C1 1637715164 HGNHUBVKPRXMQA-ZDUSSCGKSA-N 382.461 0.392 30 10 GCEE CC(C)O[C@@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOC1 1641881123 DTGGVDBCYAFFNR-QGZVFWFLSA-N 381.454 0.537 30 10 GCEE CN(C)C[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1644123549 IGKYGTJILBKBBW-GOSISDBHSA-N 379.482 0.903 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cncs1 1653013398 DVFSCZBRWRQKMC-JTQLQIEISA-N 378.435 0.681 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)c1 1656297479 CXSKBTTUQZVHTR-HNNXBMFYSA-N 379.438 0.061 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1680908866 DJKFHCPVAAGTHQ-KBPBESRZSA-N 387.502 0.999 30 10 GCEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1689943901 GJZCODQFUKOVAV-UHFFFAOYSA-N 394.439 0.886 30 10 GCEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1692854158 RDBNDGZILXTZLA-JSGCOSHPSA-N 382.428 0.379 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)nc1 1705584373 IFMOCWSTLSPIEI-UHFFFAOYSA-N 385.431 0.879 30 10 GCEE CC(F)(F)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1706840017 HVMFEDBXZIJYPX-NWDGAFQWSA-N 389.428 0.954 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1722369974 DRLDSDJAXUUHSI-UHFFFAOYSA-N 390.447 0.734 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1722411471 HOHIGGZYLDBDQQ-HOTGVXAUSA-N 379.530 0.980 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1725945276 NWZDYANKTOPMQC-CBBWQLFWSA-N 381.473 0.211 30 10 GCEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1730922340 FNRQFLQZLFXXPM-MRXNPFEDSA-N 384.440 0.791 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]2C1 1736227210 YOCPEEWQYMHYHF-AESZEHBQSA-N 378.473 0.333 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn2nccc2nc1C 1736548326 DXTPMQLWOQANER-ABFRBSLYSA-N 381.436 0.938 30 10 GCEE C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)CCC1 1739732140 VMBOBMGEEFCQRB-LVQVYYBASA-N 375.469 0.825 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C2CC2)C1=O 1740557267 IFSIIBYVVWASLP-VLIAUNLRSA-N 384.484 0.869 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1740563924 XWCVGPITDIACIN-PASDCYSWSA-N 377.489 0.527 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1740668350 KSLNFYIMIFZBAN-ZDUSSCGKSA-N 379.486 0.656 30 10 GCEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@](C)(O)C3CC3)CC2)c1C#N 1742668483 CIXOBQFHFUVULN-LJQANCHMSA-N 384.488 0.988 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1nnnn1CC1CC1 1748846530 ICHSGQTVEIUMSM-INIZCTEOSA-N 380.456 0.690 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCSC2)CC1 1748991192 SEXBGJYBLWCELU-LPHOPBHVSA-N 391.541 0.795 30 10 GCEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnnn1C 1764127278 HCPFUSHEAXNGOG-QGZVFWFLSA-N 389.439 0.815 30 10 GCEE C=CCN1CC[C@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1853729543 SEGGTESVERRGQY-KRWDZBQOSA-N 387.484 0.634 30 10 GCEE Cn1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)n1 1854167723 IUZIDBFLSWJNBU-SFHVURJKSA-N 392.463 0.851 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1=O 1854271069 IBELNTGEMZJWOB-RDJZCZTQSA-N 398.467 0.555 30 10 GCEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)CCN3CCCC3)C2=O)CC1=O 1854839543 FHDPCFBXELCIHE-MSOLQXFVSA-N 390.528 0.956 30 10 GCEE Cc1nc(C(=O)N2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C[C@H]2C)co1 1855830209 QJYJJLKXIFUGTD-UKRRQHHQSA-N 387.440 0.808 30 10 GCEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(OC(F)F)cc1 1855908576 BJTNJGISMYIFIA-JTQLQIEISA-N 387.364 0.950 30 10 GCEE C[C@H]1CN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1856942670 FFRMYWGHQCFAAH-BBRMVZONSA-N 390.465 0.265 30 10 GCEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3nnc(C)o3)CC2=O)CC1=O 1857270061 WDANQPSFSCXGDT-UONOGXRCSA-N 375.429 0.219 30 10 GCEE C=C(C)Cc1c(C)nn(CCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1C 1860305143 LQMLUDAJTQKLBD-MRXNPFEDSA-N 376.457 0.899 30 10 GCEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(=O)O 1888176011 TZJWWGGXPUUPLP-NWDGAFQWSA-N 390.458 0.319 30 10 GCEE C[C@H](C(=O)N1CCN(C)C[C@@H]1C#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1963735683 HUPGLHWQJMHLAL-KGLIPLIRSA-N 379.461 0.120 30 10 GCEE C#CC(C)(C)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CC1 1963857908 BBCOZGJOAGXAIT-AWEZNQCLSA-N 381.473 0.999 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N[C@@H](CCS)C(=O)O)C1 2059710999 METHWXULUUYENZ-RYUDHWBXSA-N 375.491 0.865 30 10 GCEE C#CCOCCONC(=O)C1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 2177015822 YHEYSKYVHKMQRH-UHFFFAOYSA-N 384.429 0.874 30 10 GCEE C#CC(C)(C)N1CCN(C(=O)CN2CC(CNC(=O)OC(C)(C)C)C2)CC1 2180036218 MHRSUROKAVBDMW-UHFFFAOYSA-N 378.517 0.999 30 10 GCEE C[C@@H](NC(=O)[C@H]1COCCN1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186639016 VDKBWLVHWSWNAN-DGCLKSJQSA-N 381.307 0.950 30 10 GCEE C#CCN(C)C1CN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2191154503 PRVGEZCVGNXEOY-OAHLLOKOSA-N 399.513 0.186 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CN=c1ccc([N+](=O)[O-])c(C#N)[nH]1 2233980340 XJCMEIJMYXUOFE-OBJOEFQTSA-N 379.373 0.036 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(=O)NCc2ccccc2)n1 2243422356 CBRRCZXMRMEPAZ-UHFFFAOYSA-N 399.260 0.161 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)CO 2255750074 DQOAHEYNUBYPMK-VHSXEESVSA-N 377.293 0.067 30 10 GCEE C[C@@H](CN)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255932635 DFIKVUFEHYHHST-JTQLQIEISA-N 375.325 0.457 30 10 GCEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)S(C)(=O)=O 2267194630 QIOLRUHOXCAMLD-UHFFFAOYSA-N 389.308 0.064 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)OC1(C)C 2267468386 JYCKOHCOGDLIBE-GDNZZTSVSA-N 385.316 0.906 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N=c2nc(CCN)[nH]s2)OC1(C)C 2267549446 MHKVZGKGUBACCW-UHFFFAOYSA-N 381.292 0.469 30 10 GCEE CC[C@H](N)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708838 RGZAKNUGVWQUNF-NSHDSACASA-N 389.352 0.941 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@](O)(CO)C3)c2)OC1(C)C 2267712326 DHVVEYMLVLHUBE-HNNXBMFYSA-N 389.304 0.165 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3NC[C@@H]4C[C@H]43)c2)OC1(C)C 2267715779 CIEZGRJCAFHJGX-UHTWSYAYSA-N 384.332 0.934 30 10 GCEE 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0.667 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1722609138 SVOJUZNQWSZOTG-KGLIPLIRSA-N 398.533 0.946 30 10 GCEE C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@@H]2C1 1740033957 NOUNEPGICKWZNN-VSZNYVQBSA-N 388.512 0.163 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cn(C2COC2)nn1 1740639902 ZLDMEDGDHOJLIN-UHFFFAOYSA-N 388.435 0.932 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1749489226 SKXVSAFSHVEQJU-CYBMUJFWSA-N 381.502 0.848 30 10 GCEE C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1 1759990714 YRICPYJEADTJQA-SUUQVRNDSA-N 387.480 0.662 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCCCO)C1 1770727948 KTZZIWOAVMFUNZ-WBMJQRKESA-N 382.465 0.787 30 10 GCEE CC(=O)c1cc(C#N)c(N(C)C(=O)C2CN(S(=O)(=O)C3CC3)C2)nc1C 1852075085 RMCJRQPADJDNQA-UHFFFAOYSA-N 376.438 0.851 30 10 GCEE C=CCN1CCN(C(=O)[C@H]2CC(=O)CN2S(=O)(=O)c2cccs2)CC1 1852283258 QDEYYZRAFUMYIH-CQSZACIVSA-N 383.495 0.410 30 10 GCEE 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LYAKJQJLSJWFFU-GJZGRUSLSA-N 379.486 0.738 30 10 GCEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 504954976 DVNLIWIMTZZKGR-HNNXBMFYSA-N 393.440 0.491 30 10 GCEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCO1 528622480 JPACDBGJYVICDW-INIZCTEOSA-N 397.439 0.312 30 10 GCEE CC(C)n1ncc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cnc21 530269003 YMRRQAOKDNCGIW-UHFFFAOYSA-N 379.380 0.843 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 561450339 FNZLZLQUNYOHSG-PXNSSMCTSA-N 379.501 0.940 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccccn3)CC2)C1=O 563980216 KRDHQYRFTSGFFN-INIZCTEOSA-N 385.468 0.412 30 10 GCEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 593747910 GYPMPFPLUWYXRV-OAHLLOKOSA-N 385.468 0.310 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](C)C2)c1 594631956 SBBJTRNSFIZALT-IUODEOHRSA-N 387.483 0.222 30 10 GCEE COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)c2)nn1 595213306 UAJYLANDGLRGQK-SFHVURJKSA-N 382.380 0.755 30 10 GCEE CC(C)O[C@@]1(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CCOC1 595329349 QXLGZZDXIVZBJY-SFHVURJKSA-N 394.497 0.989 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 595950320 JIBUZCCQXWOZRM-CABCVRRESA-N 399.494 0.412 30 10 GCEE N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 597184480 OCJDPPMZLRJQIV-QZTJIDSGSA-N 382.464 0.934 30 10 GCEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(F)c(C#N)c(F)c1 597627675 OOMDYJUJPPDVCI-AWEZNQCLSA-N 381.335 0.357 30 10 GCEE C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)n1cnc(C#N)n1 619614948 QDUZHLWFHDBZGG-HYVNUMGLSA-N 393.451 0.426 30 10 GCEE C=C(C)Cn1c(SCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)nnc1-c1ccco1 628601632 FHMPDJZBUARYOF-NEPJUHHUSA-N 391.453 0.653 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)C2CCCC2)c1 629626882 YQCWKUXPTRIJKQ-UHFFFAOYSA-N 399.494 0.868 30 10 GCEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nncn2C)CC1 655617824 BAFAITVNPOJSJR-AWEZNQCLSA-N 376.465 0.643 30 10 GCEE CC1(C)OB(c2cc(CO)cc(S(=O)(=O)N3CCNCC3)c2)OC1(C)C 725384432 VPDSSJBUVUCLCQ-UHFFFAOYSA-N 382.291 0.072 30 10 GCEE C=CCCO[C@H](C)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729211324 XQHRDZMEQXXSHY-OAHLLOKOSA-N 392.456 0.063 30 10 GCEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](C(=O)N2CCOCC2)C1 731901696 HVHBEWXMCBOPJC-ZDUSSCGKSA-N 378.454 0.281 30 10 GCEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C(F)(F)F)O1 745812727 CMWISXBGPYKTAZ-OZEZLOIZSA-N 376.335 0.874 30 10 GCEE C#CCN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CCS(=O)(=O)C1 746152676 PVAVYTHYZASRMZ-HOTGVXAUSA-N 388.445 0.154 30 10 GCEE C#CCN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)C1CCCC1 757173215 AKULCBSNEVKSJU-UHFFFAOYSA-N 377.422 0.646 30 10 GCEE C#CCOc1ccccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 773347725 CNLGUHHUTDXFLU-WUKNDPDISA-N 382.376 0.280 30 10 GCEE COc1ccc(CNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1C#N 775162188 UNQCCPSMRIKALR-UHFFFAOYSA-N 384.396 0.686 30 10 GCEE C[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 780987703 YKOFDTUSXOFWJC-CZUORRHYSA-N 377.408 0.767 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)c(C)o2)n1 788819287 WTSZWZQJZFWYSV-UHFFFAOYSA-N 380.426 0.354 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)n1 809134171 UNTGQFAMWNXUEH-OXJNMPFZSA-N 390.484 0.811 30 10 GCEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)C2 810409566 SQSCRMLGICTYCY-KPZWWZAWSA-N 375.356 0.674 30 10 GCEE C#CCN(C)CCCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 818606374 PVJUFXBEIYPMJQ-UHFFFAOYSA-N 380.408 0.773 30 10 GCEE COc1ccc(CNC(=O)C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1C#N 829351073 IMOULLGBQMXSBK-QGZVFWFLSA-N 386.452 0.241 30 10 GCEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 838265157 ZFSWEZZDTSRHNC-HZPDHXFCSA-N 378.450 0.618 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)CC1 838650838 LULWVDDCGXJULR-HNNXBMFYSA-N 397.520 0.919 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC(C)(C)OC(C)(C)C2)n1 839371227 VVLIGTWRRODSQE-UHFFFAOYSA-N 390.484 0.907 30 10 GCEE C#CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 843680135 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C#CCN(C(=O)C(=O)N[C@H]1CCc2cc(N)ccc21)[C@H]1CCS(=O)(=O)C1 1118551240 ACINELDUUUBJEJ-HOCLYGCPSA-N 375.450 0.021 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@]3(F)CCS(=O)(=O)C3)C2=O)cc1 1128015912 LZHPQTYIFXWLGC-RHSMWYFYSA-N 379.413 0.697 30 10 GCEE N#Cc1ccccc1NC1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 1149432881 RPLJTOSYUHSYET-UHFFFAOYSA-N 377.408 0.866 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C#N)c(O)nc1=O 1150879824 CCSUOEGNZQWIRM-RYUDHWBXSA-N 375.385 0.041 30 10 GCEE COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H]2C[C@H]21 1178580945 JKPJCNPCQWRWDR-IRHMCKRBSA-N 391.449 0.539 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCNC3=S)CC2=O)cc1Cl 1182052964 NBXBFLMOLBIFOC-LBPRGKRZSA-N 391.884 0.871 30 10 GCEE CC(C)OCCCNC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1184873863 HQCQHEJFODYTTQ-UHFFFAOYSA-N 377.445 0.093 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](COC)c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 1259179720 YVSVBJSFQZEPBB-ZIAGYGMSSA-N 382.438 0.041 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 1261866776 MRQUBMJRSFPVAE-GOSISDBHSA-N 383.448 0.576 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC)CC1 1286472077 URVDZMPJQBUYDU-FQEVSTJZSA-N 388.516 0.820 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1286693518 RSAVWWOEOSNARZ-QWHCGFSZSA-N 384.506 0.521 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1286774855 MACPZGHPJRWEPH-CHWSQXEVSA-N 377.474 0.836 30 10 GCEE C=CCNC(=O)Cn1c(N2CCCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793626 ZPBFDOLWWCTXGY-LJQANCHMSA-N 393.488 0.848 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1286958620 AMIMRLKHHIESFO-QWHCGFSZSA-N 382.428 0.800 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1300307367 FQWILOHDIUXFTB-KBPBESRZSA-N 381.502 0.553 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC([C@H]4CCOC4)C3)C2=O)cc1 1323412568 BEPPNZLRVHWHBK-WMZOPIPTSA-N 396.447 0.270 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 1324608622 SMVRNTULNKJYSC-UKRRQHHQSA-N 375.400 0.851 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)nn3)n2C[C@H]2CCOC2)CC1 1328227738 NTLGLDUFCJZHLU-CQSZACIVSA-N 398.471 0.076 30 10 GCEE C=CCOCCNC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1328671727 QQKPBTALBCXHAF-UHFFFAOYSA-N 378.448 0.383 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1332695982 GWJKXTTUMKVROO-ABAIWWIYSA-N 395.818 0.855 30 10 GCEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCS(=O)(=O)CC2)C1 1338613932 VVDRBYYKYOSPSX-UHFFFAOYSA-N 392.485 0.649 30 10 GCEE C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1338957637 SFHMAHUPQRTLMD-INIZCTEOSA-N 376.505 0.725 30 10 GCEE C=CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]12CCC=C1OCC2 1339195063 FUBZPVPPSZPCOP-KRWDZBQOSA-N 379.486 0.882 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC 1339295664 GBZVLXYHGCQDGO-ZWKOTPCHSA-N 399.543 0.811 30 10 GCEE C=CCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(C)CCC(=O)NC1 1340241986 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GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 1350954434 LWZXSWNWKHXKNL-RBUKOAKNSA-N 386.448 0.859 30 10 GCEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N(C)C 1359106808 RIXOZYTXXZDQOX-UHFFFAOYSA-N 386.522 0.710 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359287422 CDMMGAFIZPYURW-HOTGVXAUSA-N 395.529 0.525 30 10 GCEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359299716 LYONZOMUJWNRFJ-UHFFFAOYSA-N 389.504 0.058 30 10 GCEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCCn2cnc(C#N)n2)CCOCC1 1436181768 ZETNFAZFVXRIRI-CYBMUJFWSA-N 392.460 0.976 30 10 GCEE C#CCNC(=O)c1ccccc1NC(=O)c1nc(S(N)(=O)=O)c2ccccn12 1442747062 JDKJRMJDGXEBNG-UHFFFAOYSA-N 397.416 0.597 30 10 GCEE C#CCOCCN(C)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1457395357 WXYOLMPBOJTCMV-HNNXBMFYSA-N 381.473 0.858 30 10 GCEE N#Cc1cn(C2CN(C(=O)[C@H]3CC[C@H](Nc4ncccn4)CC3)C2)c(=O)nc1O 1472370360 GCGADBOJQJYWOL-MQMHXKEQSA-N 395.423 0.665 30 10 GCEE COc1cccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)OC)c1 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CC[C@H](CC#N)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 376931818 OHTBNTCPPIWQLA-RBSFLKMASA-N 384.436 0.830 30 10 GCEE CCCc1nc(=NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)s[nH]1 411181210 UETNJXKIQOENRM-UHFFFAOYSA-N 385.453 0.466 30 10 GCEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(F)c1 433893524 JXFHXDUPCIFXKO-AWEZNQCLSA-N 388.399 0.733 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3ncccc3c2)CC1 491078853 IPFSKEYLSZLCBZ-UHFFFAOYSA-N 381.436 0.620 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3cnn(CC)c3c2)CC1 491203009 QRPMNVXGRWLGIG-UHFFFAOYSA-N 398.467 0.441 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508886788 FBTFFFSTQINLAK-CABZTGNLSA-N 383.396 0.578 30 10 GCEE CN(C)c1nc(CS(=O)(=O)CC(=O)NCc2cccc(C#N)c2)ns1 510234719 CIEQZJFCKSBVFJ-UHFFFAOYSA-N 379.467 0.707 30 10 GCEE C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnc2n1CCC2 559556179 AVOGYDWPAHVJFQ-CYBMUJFWSA-N 394.439 0.017 30 10 GCEE C=C[C@@H](CCC(=O)O)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 560492737 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C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1)C(C)(C)O 594635115 GXNMHKIUQDOXES-NSHDSACASA-N 375.472 0.268 30 10 GCEE N#CCC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cncc(F)c2)C1 595967256 PSJUQKDIORTKKU-UHFFFAOYSA-N 390.462 0.918 30 10 GCEE Cc1nc(=NC(=O)CS(=O)(=O)NC(C)(C)C)n(-c2ccc(C#N)cc2)[nH]1 598685301 CHKIFFWEINNFBB-UHFFFAOYSA-N 376.442 0.526 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CNC(=O)c4ccccc43)CC2)c1C#N 599807392 SATLZBJGHDMXLF-QGZVFWFLSA-N 378.436 0.776 30 10 GCEE C=CCn1c([C@@H]2C[C@H]3CC[C@H]2O3)nnc1N(C)CCN1CCCS1(=O)=O 652556273 DPVVNORTKGNXDR-RBSFLKMASA-N 381.502 0.971 30 10 GCEE C=CCCCCCNC(=O)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 656026609 MOEDFNNTUMTGDO-IRXDYDNUSA-N 391.516 0.596 30 10 GCEE C#CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 729265808 IGVUXERNPKRRPD-AWEZNQCLSA-N 384.479 0.151 30 10 GCEE N#C[C@@H]1CN(Cn2ncc(Br)c(Br)c2=O)CCO1 729986734 HIXDEGCSKBJPDN-SSDOTTSWSA-N 378.024 0.950 30 10 GCEE C[C@H](Oc1ccccc1C#N)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 744690310 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CO[C@](C)(CO)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 848262465 HOUWHIWLNPACGD-SFHVURJKSA-N 397.497 0.799 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC1 848956317 QEJBEWREXUCPDP-LSDHHAIUSA-N 393.490 0.911 30 10 GCEE C=CCOCCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 850648654 DOCPWGXEDOQSAE-UHFFFAOYSA-N 394.859 0.924 30 10 GCEE C#C[C@@H](NC(=O)COCC(=O)N[C@H](C#C)C1CCOCC1)C1CCOCC1 856114099 WNCKXNNSXBZCHH-QZTJIDSGSA-N 376.453 0.092 30 10 GCEE C[C@@H](CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 863358385 FNDBQOINNKOXLB-SDDRHHMPSA-N 378.454 0.226 30 10 GCEE C#CCCCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCCO1 909766748 GMSIPLLASJXNPQ-INIZCTEOSA-N 395.529 0.931 30 10 GCEE CN(c1cccc(C#N)c1)[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)N(C)C)C1 919626999 DJTYDAVHVAKMJA-OYLFLEFRSA-N 385.515 0.888 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN2C2CCOCC2)n1 927635921 BOGBOZMKYZJMNM-LJQANCHMSA-N 389.500 0.928 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC 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C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 1261358031 JRXMWQHVTTYNEE-OAGGEKHMSA-N 391.468 0.705 30 10 GCEE N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@]23CCCC[C@@]2(COC3)C1 1261684684 PFDNHFSECUOTGG-PMACEKPBSA-N 383.452 0.901 30 10 GCEE CN1C[C@H](CCNC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)CC1=O 1262304564 JNQMAFGZUJWYML-MRXNPFEDSA-N 397.479 0.582 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](CC(N)=O)C3)C2=O)cc1 1274775429 CJBTYZMWPAEVFM-DZGCQCFKSA-N 383.408 0.487 30 10 GCEE CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1282292787 JRVAMZZHPNIGFF-XDNAFOTISA-N 389.496 0.766 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCOCC1 1286398610 LRKOBVXIAFUVOI-UHFFFAOYSA-N 386.500 0.600 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1286409409 LHFODYDKRYBOLH-GOSISDBHSA-N 384.528 0.881 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCN1C(N)=O 1292101832 GOMMZUPXKYIFSY-WCVJEAGWSA-N 376.457 0.208 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1COCCO1 1300578398 CHLGBLNWRWKOQB-HNNXBMFYSA-N 397.435 0.884 30 10 GCEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn(C2COC2)nn1 1302173809 WDNKXNVSGJLAJI-OAHLLOKOSA-N 386.460 0.807 30 10 GCEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#C[C@@H]2CCCCO2)C(=O)C1 1305027290 QJJKNWXVHPHEQF-HNNXBMFYSA-N 379.457 0.754 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1 1322563612 VOWUBQQRVNDXEE-ZBFHGGJFSA-N 378.425 0.578 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1)[C@@H]1CCS(=O)(=O)C1 1325105756 KCPAWAMSCBQMFD-ZIAGYGMSSA-N 395.506 0.668 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2cc(Cl)ccn2)n1 1326780391 GYYLUYCIPIFHOA-UHFFFAOYSA-N 389.843 0.970 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 1328872911 IDKFBGBDGSXWGO-KRWDZBQOSA-N 384.480 0.698 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1ncc2c(n1)CCOC2 1328981378 FETLZYQNZXCLBD-QGZVFWFLSA-N 395.419 0.229 30 10 GCEE C[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(F)F 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393.425 0.776 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342044353 OBTPJWBSIRTDBA-SUNYJGFJSA-N 384.498 0.920 30 10 GCEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2342052341 BWXWITZMDGMPGD-HBUWYVDXSA-N 386.514 0.902 30 10 GCEE C#C[C@@H](C)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cn(C)nn2)CC1 2362088597 QRIGMYVMMRJWCM-UKRRQHHQSA-N 376.461 0.547 30 10 GCEE CNC(=O)[C@H]1COCCN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364846568 MCVSORXEIBFBEW-CYBMUJFWSA-N 381.669 0.985 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3C[C@@H]4C[C@H]3CN4)c2)OC1(C)C 2366677470 QYZNTLPKRYOJQD-CORIIIEPSA-N 379.291 0.410 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OC)cc2OC)CC1 27558998 LEKVUUSQAYUCOO-UHFFFAOYSA-N 376.457 0.562 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 68388067 VYJVVXONAQYJNS-NRFANRHFSA-N 399.539 0.422 30 10 GCEE CN(C(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)C1(C#N)CCCCC1 170687253 CLKDCVBNTVKHOW-UHFFFAOYSA-N 385.468 0.818 30 10 GCEE CCN(CCS(C)(=O)=O)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 178993176 USPUAFRDTMBQDR-UHFFFAOYSA-N 396.488 0.712 30 10 GCEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 255414686 YXMYFVCRDPJRBW-UHFFFAOYSA-N 395.488 0.853 30 10 GCEE CC/N=C(/NCC#Cc1ccccc1)N1CCN(c2nccn(C)c2=O)CC1 262758515 CIAKAWLOWSNUKK-UHFFFAOYSA-N 378.480 0.920 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 264162061 KIBOEORYORBZPP-KRWDZBQOSA-N 375.856 0.927 30 10 GCEE CN1CCN(C(=O)c2ccc(C(=O)N3CCN(C)[C@@H](C#N)C3)s2)C[C@H]1C#N 330031987 UJMPBQFJGMBULS-OKILXGFUSA-N 386.481 0.308 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1 330594081 AWRHDDRHRGUCKS-AWEZNQCLSA-N 389.422 0.385 30 10 GCEE C[C@H]1[C@H](C)CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349475481 FMXNQJGDVJSADC-FRRDWIJNSA-N 381.545 0.317 30 10 GCEE Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)c1C#N 349484609 SKSLQIAFIBGSLN-KOLCDFICSA-N 375.476 0.392 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 349543660 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C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)[C@H]1C 573266978 VFNPMTURGCUWNO-STQMWFEESA-N 382.467 0.753 30 10 GCEE CCC1(CC)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[S@]1=O 577686893 ZADMUHZUFZYNGQ-RUZDIDTESA-N 397.522 0.986 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc4c3CCNC4)CC2)n1 579212065 QAFUSKHIOUYMKJ-UHFFFAOYSA-N 390.447 0.886 30 10 GCEE N#Cc1ccnnc1NC[C@@H]1CCCCN1CCn1nc2c(cc1=O)COCC2 585627165 SUZBOBRPVYWZBS-KRWDZBQOSA-N 395.467 0.944 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCC[C@H]4C3)CC2)n1 585724839 BQCAANVOBZWKTI-RDJZCZTQSA-N 382.468 0.345 30 10 GCEE N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 592076141 CNEMPJWIZFOCTQ-AWEZNQCLSA-N 392.405 0.415 30 10 GCEE COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)s[nH]2)c1 592299019 BOCUWRWRJGKNRB-QGZVFWFLSA-N 387.421 0.451 30 10 GCEE COC[C@@H](C(N)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 592801174 VQJFTLUBPXWJLQ-AWEZNQCLSA-N 395.257 0.716 30 10 GCEE CCc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)no1 595963637 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10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 763883663 IYNKURVVGWZUAG-UHFFFAOYSA-N 395.481 0.823 30 10 GCEE N#CC1(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)CCOCC1 767399507 QYRSGGPFJMNJBU-UHFFFAOYSA-N 391.449 0.896 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1C(F)(F)F)c1cc[nH]n1 772301834 ZSFNQRIOTTWFIA-SNVBAGLBSA-N 378.307 0.483 30 10 GCEE COc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1C 773487717 JJPQFDLUCGUPCY-MNOVXSKESA-N 392.416 0.242 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c1 804542918 ONZKTVRPRCOCAZ-LBPRGKRZSA-N 384.479 0.294 30 10 GCEE C#CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 810647619 LWNUJLMMRSVRNL-HZPDHXFCSA-N 394.497 0.132 30 10 GCEE COc1cccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 811068820 RBGOJAOQFFOQAJ-UHFFFAOYSA-N 389.389 0.666 30 10 GCEE COCCO[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 846245559 FWGXWFRLQAJEKO-ZWKOTPCHSA-N 389.452 0.704 30 10 GCEE C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(OC)cn1 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1722703447 AEWZHAZNMKHUST-KDOFPFPSSA-N 379.461 0.458 30 10 GCEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1740590433 HGYOLQJBOQSFGB-HUUCEWRRSA-N 394.501 0.620 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1749170358 MISIWECWIVVQQX-DZGCQCFKSA-N 398.533 0.817 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(C)=O)C1 1749664772 ZETBYCVRZHGKCA-HNNXBMFYSA-N 385.472 0.691 30 10 GCEE COCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1749750904 WNEPLPNELHARPN-NSHDSACASA-N 382.446 0.484 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1760095394 NVDSHZQQHQUWKV-IAGOWNOFSA-N 388.516 0.940 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H](O)C1 1760248092 AHEDJJBUPKOXFL-PMPSAXMXSA-N 375.473 0.866 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC=C)CC1 1760270195 UIRIFOAKODYMIJ-OAHLLOKOSA-N 391.497 0.332 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1760503400 HWYUXPJAYJTQQH-SUMWQHHRSA-N 381.502 0.736 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 1760522378 RWMVZXRKEOTARN-INIZCTEOSA-N 385.424 0.929 30 10 GCEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1=O 1767520960 AIWQFPXJVKFLAF-QGZVFWFLSA-N 396.451 0.901 30 10 GCEE N#Cc1ccc(N2C[C@H](OC(=O)c3nccc(N4CCOCC4)n3)CO2)nc1 1851896665 DALLQHQPIKNOGW-AWEZNQCLSA-N 382.380 0.557 30 10 GCEE N#CCC(=O)N1CC[C@@H](N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)C1=O 1855404924 IFBZSNICQFAKQE-CQSZACIVSA-N 394.439 0.165 30 10 GCEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1855597063 VOECNBDELOMKKV-OAHLLOKOSA-N 395.525 0.828 30 10 GCEE N#CCCCN1CC[C@H](N2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)C1 1857144601 KQEGTNKQIARHME-SFHVURJKSA-N 399.495 0.677 30 10 GCEE C=CC[C@@H](CO)CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1965151544 PSLIAHSRNLOANH-ZIAGYGMSSA-N 390.502 0.711 30 10 GCEE N#C[C@H]1CCN(S(=O)(=O)NCC2CN(C(=O)OCc3ccccc3)C2)C1 1982312615 CSMVFDZZXJODFX-OAHLLOKOSA-N 378.454 0.935 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](C=O)(CCS(=O)(=O)N2CCOCC2)C1 2049445171 RGRDVICQQXGNGW-INIZCTEOSA-N 376.475 0.865 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC[C@H](C=O)C2)C1 2124576279 XCLAODHTJWUXIT-KBPBESRZSA-N 388.486 0.848 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cncc(C#N)c2)C1 2133569965 RMKBQMKSBLHXNM-INIZCTEOSA-N 382.442 0.603 30 10 GCEE Cn1cc([C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O)nn1 2180390405 YDJROMOHTFBMOO-CMPLNLGQSA-N 380.405 0.644 30 10 GCEE C#CCN(CC(=O)O)C(=O)C1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 2180701486 APTARKJJAFXPLV-UHFFFAOYSA-N 382.413 0.723 30 10 GCEE C=CCN(CC(=O)OCC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1 2181034250 UQTNDOCKOFNCEM-AWEZNQCLSA-N 381.433 0.959 30 10 GCEE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2183619458 KEAFYYQBVWKTNO-LLVKDONJSA-N 384.263 0.932 30 10 GCEE C#C[C@]1(O)CCCN(C(=O)[C@@H]2[C@@H](OC)[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2205464736 RSTWSPWVHRXLFG-XLPNERPQSA-N 382.457 0.622 30 10 GCEE C#CC[C@](C)(CO)CNC(=O)[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2205644219 KZFKDVQVQMIXJX-GJRWTSMGSA-N 384.473 0.774 30 10 GCEE C#CCOC[C@H]1CCCN1C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2206543200 ZPYWRFINOSRFLF-ZRGWGRIASA-N 382.457 0.360 30 10 GCEE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267000632 AIIWZTYJHJDXPD-GXSJLCMTSA-N 386.304 0.605 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CNC(=O)O3)c2)OC1(C)C 2267368464 JRWMKGZMRBUNFV-JTQLQIEISA-N 388.276 0.434 30 10 GCEE COC1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CNC1 2267372362 NFKIIVWVLOXNQL-UHFFFAOYSA-N 388.320 0.314 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)OC1(C)C 2267475508 LCUPRHNMLDAFCX-VLBDKCSNSA-N 386.219 0.908 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N3CCOC[C@@H]3CN)c2)OC1(C)C 2267712227 UPUWIVDNJXKTCF-LBPRGKRZSA-N 388.320 0.396 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H](O)C(=O)O)OC1(C)C 2269027625 CGNMUOGFVHBQSA-JTQLQIEISA-N 391.276 0.161 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H](O)C(=O)O)OC1(C)C 2269036589 FAKJZJRLIVKMDQ-SNVBAGLBSA-N 391.276 0.161 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CCC(CN)(CO)CC2)OC1(C)C 2281799116 QKOCCRICJJKHJE-UHFFFAOYSA-N 381.307 0.616 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CNC(=O)O3)c(Cl)c2)OC1(C)C 2281995242 ZUGKSJTVGBTRLN-SNVBAGLBSA-N 381.625 0.872 30 10 GCEE C[C@H](O)CN(CCO)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282035351 UHARMMWCIUSPIW-JTQLQIEISA-N 387.673 0.188 30 10 GCEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CC[C@H](CO)CO2)OC1(C)C 2282060019 QQGBLJBECUNIEE-NEPJUHHUSA-N 382.291 0.960 30 10 GCEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1ncco1 2282315732 RTQWEYUGDRKYMN-VIFPVBQESA-N 383.239 0.142 30 10 GCEE C#C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)C 2282322225 IQADSMVYBOBGCO-LLVKDONJSA-N 382.295 0.441 30 10 GCEE CC(=O)NC1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282343125 CHKNYGJEAFSGJB-UHFFFAOYSA-N 380.275 0.495 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C(=O)[C@@H]1C 2282351518 BLNXMHYMTJCXAK-WDEREUQCSA-N 383.279 0.522 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC(C)(C)N 2282424285 ABXCNLGMVISELU-UHFFFAOYSA-N 386.327 0.515 30 10 GCEE Cc1nc(C(=O)N2CCCO[C@@H](CN)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282512044 FWZYQQKEJAQDKA-LBPRGKRZSA-N 381.307 0.941 30 10 GCEE Cn1nc(C(=O)NC[C@H](N)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548680 ZDPHXHLFGFIBJO-ZETCQYMHSA-N 396.606 0.992 30 10 GCEE Cn1nc(C(=O)NCCCc2nncs2)cc1B1OC(C)(C)C(C)(C)O1 2282612844 ICMRRHLJRNGYFA-UHFFFAOYSA-N 377.279 0.933 30 10 GCEE CC1(C)OB(c2ccc(C(=O)NCC3CN(S(C)(=O)=O)C3)o2)OC1(C)C 2282626601 ICQHEZLIBMYGGT-UHFFFAOYSA-N 384.263 0.200 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3N)OC1(C)C 2282836876 QERXIXNLPURUOK-WXHSDQCUSA-N 399.347 0.694 30 10 GCEE CC(C)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282848545 OQMZRTDTOQHNPP-UHFFFAOYSA-N 386.327 0.386 30 10 GCEE C=C(CS(=O)(=O)N1CCN(C(=O)NCC)CC1)B1OC(C)(C)C(C)(C)O1 2282872614 ZHGCYTWHRJBJAO-UHFFFAOYSA-N 387.311 0.851 30 10 GCEE Cc1nc(S(=O)(=O)N(C)CC[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872922 DIKUUNUWSZEULX-LLVKDONJSA-N 387.311 0.419 30 10 GCEE COC[C@@H](CF)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282873456 LPMURGJULGCNCC-LLVKDONJSA-N 391.274 0.291 30 10 GCEE C=C(CS(=O)(=O)N1CCC[C@@]2(CNCCO2)C1)B1OC(C)(C)C(C)(C)O1 2282874558 CDHWRUFDIIJVGB-QGZVFWFLSA-N 386.323 0.958 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC=C[C@H]2C(=O)O)OC1(C)C 2284415203 MCXHGXYEEFVFLC-ZDUSSCGKSA-N 379.243 1.000 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(OCC(=O)O)C1 2284474385 JZSUAWHYONTZTO-UHFFFAOYSA-N 382.247 0.676 30 10 GCEE COC1(C#N)CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335428752 ZYTNELJAKLHAND-LBPRGKRZSA-N 389.474 0.455 30 10 GCEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)n1 2361662531 LEDDGQWUHWLYHF-OLZOCXBDSA-N 379.291 0.626 30 10 GCEE CN[C@H](C#Cc1cnn(C)c1)[C@@H](O)c1nn(C)cc1I 2366117044 WFTFHIOOWDOINX-DGCLKSJQSA-N 385.209 0.431 30 10 GCEE Cn1nccc1C#CC(=O)[C@]1(O)CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2367761947 RBPPQOSGLYVPIO-RBUKOAKNSA-N 375.425 0.872 30 10 GCEE C#CCNC(=O)CCN[C@@]1(C(=O)O)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2379458906 HVRCDSGTIGODOK-IBGZPJMESA-N 379.457 0.960 30 10 GCEE COc1cc(C#N)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 9438003 ORYCANGMEMUROI-UHFFFAOYSA-N 375.406 0.909 30 10 GCEE COCCCNC(=O)[C@H](C#N)C(=O)c1cnn2cc(Br)cnc12 179976180 XRMNDCRZAZQHKG-SNVBAGLBSA-N 380.202 0.967 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nnc3n2CCCC3)c1 184101686 KOPMAFYSFMHWAX-UHFFFAOYSA-N 387.465 0.498 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 278955303 GZBDFJXXMWKALW-IYBDPMFKSA-N 381.436 0.777 30 10 GCEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 288452013 FWUOLSBPIUCQRY-OAHLLOKOSA-N 394.453 0.410 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(O)cc1C 327126739 PSOHSLVYAXLWDI-LLVKDONJSA-N 387.435 0.210 30 10 GCEE C[C@H]1CN(C(O)=Nc2cccc(N3CCCS3(=O)=O)c2)CCS1(=O)=O 329808882 BWQGFRBOMHXQEZ-LBPRGKRZSA-N 387.483 0.891 30 10 GCEE Cc1nn(C)c(C)c1[C@H]1[C@H](N/C(O)=N/[C@H]2CCCn3ncnc32)CC(=O)N1C 330110369 ADGMRCISEDTRCD-WOSRLPQWSA-N 386.460 0.939 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nc1 349553212 OUVJBECQJRRQEM-AEGPPILISA-N 398.510 1.193 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)cn1 363803716 JXMOSNKAHBQAFY-MRXNPFEDSA-N 376.376 0.927 30 10 GCEE Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1 364357092 DWMHNUXGVUJMFV-AWEZNQCLSA-N 380.412 0.108 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 368571591 FGVKOASAVMPURO-KRWDZBQOSA-N 391.493 0.903 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 370652413 NYXZEXBOCOCWTF-CZUORRHYSA-N 387.465 0.424 30 10 GCEE N#C[C@@H]1CSCCN1C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 371548226 YVXZTCZJMZJFEI-DYVFJYSZSA-N 384.461 0.930 30 10 GCEE C[C@H](C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)n1cnc(C#N)n1 409580214 ZSWIZQRMZTXIHU-CJNGLKHVSA-N 382.424 0.936 30 10 GCEE CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H](C)n1cnc(C#N)n1 409860902 SFYXLRGFXPZGCM-CABCVRRESA-N 376.461 0.977 30 10 GCEE Cc1ccc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1S(=O)(=O)NCC#N 416289253 FGQGKRISNYVWRG-CABCVRRESA-N 394.497 0.324 30 10 GCEE COCC(COC)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 416572408 QNDRMCWCVPWWMK-UHFFFAOYSA-N 385.461 0.806 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC[C@H]3CCCNC3)C2=O)cc1 418899779 CFHAAGWDNJVHKU-SJLPKXTDSA-N 397.479 0.676 30 10 GCEE C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 420599678 MTOXSNKAQUMJQS-HZPDHXFCSA-N 387.436 0.954 30 10 GCEE COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2c(C#N)cnn2C)c1OC 438231509 WQIQEBIEWVPOCW-UHFFFAOYSA-N 380.382 0.896 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccc(CC)cc2)CC1 459844447 HMEVHXUCYIGJMZ-UHFFFAOYSA-N 386.496 0.654 30 10 GCEE CN(C)S(=O)(=O)CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473587521 LVGUSGXJOIZITL-OAHLLOKOSA-N 384.889 0.940 30 10 GCEE N#CC1(CS(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)CCC1 474581264 WHQNWRNHONNLCV-UHFFFAOYSA-N 378.502 0.602 30 10 GCEE CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 484235793 SNGQYRQPNATRRT-DOTOQJQBSA-N 384.484 0.591 30 10 GCEE CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)C(=O)Nc2cnn(-c4ncccc4C#N)c2)[C@H]31 507303646 MCEKZWVJZBANHJ-XSIBGMEISA-N 392.419 0.959 30 10 GCEE N#Cc1cn(C2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)c(=O)nc1O 527831489 NSIBUBHMELBEGE-ZNMIVQPWSA-N 385.424 0.735 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 534100320 ATFIDNGHDPSVQB-UHFFFAOYSA-N 384.440 0.757 30 10 GCEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)n1 544843529 WFRUXCJTWIQCTM-OAHLLOKOSA-N 388.453 0.622 30 10 GCEE N#Cc1cc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)ccc1Cl 551574532 VPJXXAJNWITWJA-UHFFFAOYSA-N 378.859 0.430 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 556367308 LBNKEVBZBWCNTF-JQFCIGGWSA-N 392.481 0.157 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(COCC)n2C[C@H]2CCCO2)CC1 559124184 LSZKONRIEHCSTP-MRXNPFEDSA-N 392.504 0.418 30 10 GCEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)ccc1F 595212231 IPYXUHXNZVKXED-INIZCTEOSA-N 382.417 0.777 30 10 GCEE Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)s1 595965891 SKLZJQBRCTYCJW-UHFFFAOYSA-N 379.489 0.154 30 10 GCEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1F 599412481 JPWWFHKRIRBRKY-GFCCVEGCSA-N 387.400 0.692 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)cn1 599899038 DWBPDPBPDSSBTG-RKTXRCNFSA-N 391.435 0.534 30 10 GCEE CN(CCCNC(=O)N1CCN(c2ncccc2C#N)CC1)S(C)(=O)=O 603822735 HCHTXVFHHSFYEL-UHFFFAOYSA-N 380.474 0.066 30 10 GCEE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 609737668 VDGZHXALZALHPQ-AWEZNQCLSA-N 399.494 0.528 30 10 GCEE C=CC(C)(C)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 625575453 INQLUQHPMXRBJD-MRXNPFEDSA-N 378.517 0.860 30 10 GCEE C=CCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 643698175 JRKIWQNEVASOSG-QAPCUYQASA-N 379.461 0.458 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nncn3C)CC2)cc1 654905954 UURIJUUIILWYGH-UHFFFAOYSA-N 397.439 0.018 30 10 GCEE 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CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCn2ccnc21 349577906 RPXOQWRDWUMURS-LBPRGKRZSA-N 389.503 0.201 30 10 GCEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 371835411 SLYKSKXWJLLKTE-GFCCVEGCSA-N 380.351 0.641 30 10 GCEE C=CCCCN(C)C(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 410975770 HZDWHBVLTIQVON-AWEZNQCLSA-N 388.428 0.795 30 10 GCEE Cc1c(NC(=O)C(=O)N2CCNC(=O)CC2)ccc(Br)c1C#N 425773270 UOHYANMFCFFPAZ-UHFFFAOYSA-N 379.214 0.916 30 10 GCEE CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCNC1=O 442256765 MHVSPHPRUHOWHU-ZDUSSCGKSA-N 386.799 0.683 30 10 GCEE C=CCn1c(-c2nnn(C)c2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 453422763 KOEIFXBAYPZUQT-HNNXBMFYSA-N 399.503 0.311 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C)C1 460546707 LGFJVMXDKXVQHA-GJZGRUSLSA-N 399.517 0.660 30 10 GCEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(C#N)cn2C)c1 471588324 XNBAYCJIBPUZFL-LLVKDONJSA-N 389.437 0.562 30 10 GCEE COCCCNC(=O)C1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489122292 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N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)c1 575430121 PMAWOSBWYOHIHY-JKSUJKDBSA-N 399.494 0.821 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)n1 582048447 HXRHMRHBTFBGBM-KRWDZBQOSA-N 382.468 0.299 30 10 GCEE Cn1cncc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C(=O)O 592449007 HILFJOZYSLJIDT-CHWSQXEVSA-N 378.385 0.920 30 10 GCEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 595725801 PCJGQDJGTQTZKL-UHFFFAOYSA-N 392.547 0.200 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CC(N2CCOCC2)C1 600068003 YPAXHFZBEXFCEX-IUDNXUCKSA-N 392.481 0.204 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C[C@@H](C)N1CC#N 601488876 DFJWEBXPDSRHOJ-VXGBXAGGSA-N 389.474 0.836 30 10 GCEE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 601529825 RIBFTMHMHCIFQZ-WFEDQXDTSA-N 382.464 0.967 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cccc(C(=O)NC)c2)CC1 607247657 BVRFUXYPKLWCQL-UHFFFAOYSA-N 387.484 0.218 30 10 GCEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CO)CN1CCOCC1 614409081 BFZRJKRFJVUTIY-MRXNPFEDSA-N 386.452 0.860 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 626307374 ZMNNVLHTFWSOAS-OAHLLOKOSA-N 396.469 0.384 30 10 GCEE C=CC[C@H]1CCCN(C(=O)C(=O)NC2CCN(C(=O)CCCNC)CC2)C1 659746977 UTGAQJQWTFOUOY-INIZCTEOSA-N 378.517 0.908 30 10 GCEE C=CCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669810509 UFSUUSHPTZHKPL-WBVHZDCISA-N 376.505 0.989 30 10 GCEE C#CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 731213591 HBAAXFUQOMTLQJ-AWEZNQCLSA-N 384.479 0.151 30 10 GCEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 776136379 ARGZRIMCJSKKCC-CRQJOFGKSA-N 393.444 0.679 30 10 GCEE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177634 NXAXWDALNWFLQE-YJYMSZOUSA-N 395.456 0.870 30 10 GCEE COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798859189 CXHJYRCJUXRSCB-SNVBAGLBSA-N 397.388 0.380 30 10 GCEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 807356719 NIJIMYPGVVLLSX-RYUDHWBXSA-N 379.438 0.998 30 10 GCEE C#CCN(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 812464515 HODSLCGACZNYIQ-LMVHVUTASA-N 385.486 0.899 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)n1 821985633 CYIJICMUQOKKAD-GDBMZVCRSA-N 382.486 0.640 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc([C@@H](C)OC)nc2C)CC1 831565720 YIMAIIALIUBJMT-GFCCVEGCSA-N 386.499 0.384 30 10 GCEE C=CC[C@H](CO)NC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 832153832 GTGSYLRUKKAWHL-CHWSQXEVSA-N 388.486 0.321 30 10 GCEE C#CCN(C)CCCNC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2 836491448 RVCZQZIJVIRHFB-UHFFFAOYSA-N 380.489 0.973 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 845023147 UOQRDDBFUUPPAY-TWOQFEAHSA-N 399.451 0.954 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCN(C(=O)OC)C1 845846255 DYKMVJGMSBTNNA-GFCCVEGCSA-N 381.410 0.854 30 10 GCEE CC(C)(C)OC(=O)NCC1(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 845993661 PWFQTTKHFPGGTR-CYBMUJFWSA-N 388.490 0.740 30 10 GCEE CSc1nnc(CNC(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 846739754 VJWKYGYCOJEBAC-GFCCVEGCSA-N 391.478 0.940 30 10 GCEE C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 848942742 VTKSRMPGPLGEIW-MRXNPFEDSA-N 397.478 0.291 30 10 GCEE C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2nnn(C)c2C)c1 848953671 OWEACFMJDWNJBV-LLVKDONJSA-N 397.482 0.567 30 10 GCEE C#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)c1 848954655 KWGWDJNUXHUDCC-INIZCTEOSA-N 381.479 0.911 30 10 GCEE C[C@@H](OC(=O)CC1(C#N)CCOCC1)C(=O)N1CCN(c2ncccn2)CC1 850299373 VBEZDUUAPPKDTC-OAHLLOKOSA-N 387.440 0.767 30 10 GCEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)cc2)C1=O 850701675 PBVXBEMNWCDZAH-MOPGFXCFSA-N 383.408 0.784 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1 855788408 FPFHPPDKZFIWSZ-HIFRSBDPSA-N 385.392 0.767 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)C1=O 862061467 BFDXZQYWWIZNEX-DMDPSCGWSA-N 392.412 0.087 30 10 GCEE Cc1ccc(CN2CCO[C@H](CNS(=O)(=O)N3CCO[C@H](C#N)C3)C2)cc1 867792297 PJPUFQYYVICHKZ-QZTJIDSGSA-N 394.497 0.255 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 875603616 AARYORVUPZDTRZ-RBSFLKMASA-N 380.466 0.554 30 10 GCEE C#CCC[C@@H](O)CNC(=O)NCc1c(I)cnn1C 876300468 BCIXGRZNDMEPFZ-SECBINFHSA-N 376.198 0.598 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC2(C1)Oc1ccccc1O2)C1CCN(C)CC1 910886413 VKGWSOMBRGQQOD-UHFFFAOYSA-N 383.448 0.942 30 10 GCEE C#CCN(C(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)C1CCN(C)CC1 910887027 PLFWNABPIDANJX-HXUWFJFHSA-N 377.485 0.339 30 10 GCEE N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CN2CCCN1CC2 917060841 AEZATJSWVLRSMY-GFCCVEGCSA-N 399.314 0.989 30 10 GCEE COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 919623664 YIWFKZUTZHXDGU-MRXNPFEDSA-N 380.470 0.808 30 10 GCEE CC[C@@H](COCC(F)(F)F)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 922665203 ZRODXSUJAVJFKP-MDZLAQPJSA-N 383.392 0.924 30 10 GCEE N#Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 931220708 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382.295 0.581 30 10 GCEE CNC[C@@]1(O)CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362572558 CLTXGAXWDXSOBJ-KRWDZBQOSA-N 381.307 0.629 30 10 GCEE Cn1nccc1C#C[C@H](N)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2367741885 AEZWMDLCXJYHOS-SNRMKQJTSA-N 376.457 0.630 30 10 GCEE C=CCn1c(=O)/c(=C/c2ccccn2)s/c1=C(/C#N)C(=O)NCc1ccco1 6456696 ZCXINYNZUCRRFT-FFPQGCKOSA-N 392.440 0.903 30 10 GCEE C=CCNC(=O)CN1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 45606642 IAFAEXDBRFUTQC-UHFFFAOYSA-N 375.860 0.996 30 10 GCEE CCCC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 47429565 MQJDIJQQUZFLME-UHFFFAOYSA-N 378.454 0.307 30 10 GCEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)NCc2ccco2)cc1 49604636 ZETZBKSLEVBCFB-UHFFFAOYSA-N 375.406 0.499 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 247635324 DDZAWNNNFAIRCD-UHFFFAOYSA-N 375.392 0.407 30 10 GCEE CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 265303991 NVYUJNHVSBJLOT-AWEZNQCLSA-N 388.453 0.306 30 10 GCEE C[C@H]1CCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)[C@]1(C#N)CCOC1 349602185 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CC#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2nnn(C)c2C)c1 565231405 IUPOTPPWLJBWST-UHFFFAOYSA-N 397.482 0.568 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCOC2)c1 577191952 CIOBURSTAXMUMC-CHWSQXEVSA-N 387.483 0.629 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 577682617 HONQDBVQLNAPQX-OAHLLOKOSA-N 399.517 0.538 30 10 GCEE N#Cc1csc(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 577836651 IYLLQTJQJPERLE-UHFFFAOYSA-N 377.451 0.747 30 10 GCEE CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 579375985 DVDMUSGIAYJWTR-OAHLLOKOSA-N 389.499 0.516 30 10 GCEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCc1cccnc1 585673894 XCFURPYOHIIUSU-XNXBBGCSSA-N 379.376 0.771 30 10 GCEE Cn1nccc1[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)OC(C)(C)C 592316111 KCPIROLKHBYPKS-CQSZACIVSA-N 384.396 0.824 30 10 GCEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1 593551466 GDDGULIEHIFMLP-UHFFFAOYSA-N 396.421 0.424 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 594631531 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C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 763850392 BGHUTAWYENQELE-CYBMUJFWSA-N 375.356 0.829 30 10 GCEE C#CCN(C(=O)Nc1nnc(CC(=O)OCC)s1)[C@@H]1CCS(=O)(=O)C1 774049945 KSUHWGXLQNJHSJ-SNVBAGLBSA-N 386.455 0.298 30 10 GCEE C#CCN(C(=O)NCCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774161765 AJMLRHRANCMACZ-OAHLLOKOSA-N 395.456 0.696 30 10 GCEE CNC(=O)[C@H](NC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccccc1 780207714 WUHPYBOJOYWZJX-QZTJIDSGSA-N 381.388 0.738 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCOC)C(=O)OCC)c1 799071270 GFYQOWMDYYQZDF-HNNXBMFYSA-N 382.438 0.296 30 10 GCEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807638100 HAPOXKSJUOSTGW-GFCCVEGCSA-N 383.456 0.579 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCN/C(O)=C1/N=CC=CC1=O 815555733 GXLCTOBKZJZUGA-YCOPGLCISA-N 390.440 0.742 30 10 GCEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@]2(CCS(=O)(=O)C2)C1 842632639 KGMWYNOBQIWAEW-GOSISDBHSA-N 387.465 0.972 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC(OCCCO)CC1 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GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C(=O)OCC)C2(COC2)C1 873697079 VXIPUQRHZQIMME-CABCVRRESA-N 392.456 0.958 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)CC1 878737636 QBSPVGNJHXDMHB-GOSISDBHSA-N 382.464 0.535 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnn2C2CCC2)c1=O 901851396 YCVIBJIGMXRRMY-UHFFFAOYSA-N 393.472 0.270 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)s1 917925843 ROQJNWPOQKXNBW-JTQLQIEISA-N 377.465 0.346 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(C(F)(F)F)nn2C)CC1 926555756 LESUAWARYDHJRE-UHFFFAOYSA-N 388.394 0.568 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cncc(OC)n2)[C@H](OC)C1 941790886 ZWMLSVNZJMXYJO-REBRKWNGSA-N 376.413 0.032 30 10 GCEE C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)C2 1118439097 MEPKHHOFONCXHR-VBKZILBWSA-N 399.451 0.567 30 10 GCEE C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H](CC(F)(F)F)O1 1118961416 POSBAUNIIGQGNZ-STQMWFEESA-N 376.379 0.613 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCNC(=O)C3)n2CC=C)n1 1121566439 SDQIEOFWFAKTRN-INIZCTEOSA-N 397.483 0.940 30 10 GCEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ncc1C#N 1124965690 DPZIJRBVHCPRDB-UHFFFAOYSA-N 399.432 0.635 30 10 GCEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnnn1C 1157099900 HMFDWRSBRFOICX-GFCCVEGCSA-N 376.442 0.907 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCc1ccc(OCC(=O)OCC)cc1 1261401171 JMJIDOKHUBROKA-MRXNPFEDSA-N 388.420 0.148 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1COc2cccc(Br)c2C1 1261996646 NUGDULGYQHMYSI-VXGBXAGGSA-N 393.237 0.729 30 10 GCEE C=C(C)Cn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(c2nccnn2)CC1 1263340658 QMFNMZJJWASFJO-LSDHHAIUSA-N 385.476 0.103 30 10 GCEE C[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N1CCN(C)CC1 1263731671 LNCMCLPPRSHRPP-ZDUSSCGKSA-N 382.461 0.489 30 10 GCEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1286414829 DEMARTQMVSXMJC-KRWDZBQOSA-N 386.500 0.600 30 10 GCEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1)C1CC1 1286732194 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0.910 30 10 GCEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1328328306 BQBQUYJPTQGYBM-CABCVRRESA-N 387.502 0.016 30 10 GCEE COC(=O)[C@@]1(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CCOC1 1328896821 KSEOIMJGZXPFEM-YLJYHZDGSA-N 389.452 0.248 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 1328906628 BRVNNZNUQGVEPJ-BDXSIMOUSA-N 381.432 0.120 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1 1329203386 GUZABZZBSNWQMU-OAHLLOKOSA-N 389.477 0.715 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)C1 1331431496 XKHCHEPGGPLGJF-MGPUTAFESA-N 388.468 0.790 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 1333271586 IAQKEEIRKIKBIF-RUCARUNLSA-N 398.507 0.902 30 10 GCEE C#CC1(NC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCCC1 1334148924 VOCCSDDIGRFXKZ-UHFFFAOYSA-N 399.447 0.925 30 10 GCEE C=C(C)COCCNC(=O)C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1334925530 PVQWCHNESZZELZ-HUUCEWRRSA-N 381.473 0.924 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)c(Cl)c1 1336812005 WWDOWYONQAJXFT-CYBMUJFWSA-N 377.828 0.823 30 10 GCEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(CCc2cnccn2)CC1 1338710359 VEOPKAVJLDFRRG-SFHVURJKSA-N 398.515 0.622 30 10 GCEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1338863936 SWUDEHXZEBDETI-ZBFHGGJFSA-N 375.477 0.890 30 10 GCEE C=CCn1c(CN2CCCCC2)nnc1N1CCO[C@H](CNC(=O)NC)C1 1338927756 YMDZVBULRRZGOJ-OAHLLOKOSA-N 377.493 0.584 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1340235644 UTLQZNGKPMAPKX-DZGCQCFKSA-N 391.501 0.631 30 10 GCEE C=CCn1c([C@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)nnc1N1CCN(S(=O)(=O)CC)CC1 1340715106 HEUWNCDMRLVYEU-QKPAOTATSA-N 395.529 0.810 30 10 GCEE C=C(C)Cn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCC(C(=O)NOC)CC1 1343764842 UNAVENDUVRKILQ-HUUCEWRRSA-N 378.477 0.486 30 10 GCEE C=CCOCc1nnc(N2CC[C@@](OC)(C(=O)OC)C2)n1C[C@H]1CCCO1 1344688678 DMXVUHXMOCKMMN-KDOFPFPSSA-N 380.445 0.928 30 10 GCEE C=C[C@H](O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1cccs1 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C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn[nH]c1 1705588342 CLMWUHCNLHYAPD-AWEZNQCLSA-N 389.485 0.317 30 10 GCEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1705661610 GIAKGLOAIJTVBK-CQSZACIVSA-N 399.542 0.578 30 10 GCEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1706062782 GTMQNMFFDGZWFI-KRWDZBQOSA-N 377.424 0.369 30 10 GCEE CNC(=O)[C@@]1(C)CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711314488 KMBBATJJAPDJAM-JJJPLKNQSA-N 387.444 0.075 30 10 GCEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCOCC2)CCO1 1712884105 GNRXQDVQILTFRY-CABCVRRESA-N 377.445 0.790 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 1739586069 QDSRQMHDYRJNMU-LVQVYYBASA-N 376.457 0.286 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740547730 AUSXQEADGSOSAO-ZNMIVQPWSA-N 388.472 0.182 30 10 GCEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622590 FBBIOYCILNHGIR-DDUZABMNSA-N 394.497 0.322 30 10 GCEE 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BQXOGNXKFCOLLJ-IEBWSBKVSA-N 397.589 0.176 30 10 GCEE C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](NS(C)(=O)=O)C2)c(OC)c1 265250484 AQQZEQOKRRSLGO-HOTGVXAUSA-N 384.498 0.787 30 10 GCEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 273484332 MWWJCZQHVKYXQQ-CQSZACIVSA-N 397.497 0.440 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 274671005 PEUOGFFRSSLURP-KRWDZBQOSA-N 379.438 0.510 30 10 GCEE CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CCN(c2ccccc2)C1=O 276212233 XBJRUNMDTGYRLL-HNNXBMFYSA-N 380.408 0.999 30 10 GCEE CNS(=O)(=O)c1cccc(/C(O)=N/CC(C)(C)N2CCS(=O)CC2)c1 330766669 KTHWPTACGLYJPD-UHFFFAOYSA-N 387.527 0.742 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 364627947 IGTCAIYUEHGUCG-KRWDZBQOSA-N 395.463 0.935 30 10 GCEE N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CCN1C1CC1 369222604 ZRTKBHPCHBNPGS-QRVBRYPASA-N 398.463 0.957 30 10 GCEE COC(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1F 372987303 VUBCFFYZSIVDMG-LBPRGKRZSA-N 392.362 0.889 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCOC)[C@@H]2CCOC2)cc1 427937862 LPXODWMAKQGDNU-MRXNPFEDSA-N 375.425 0.805 30 10 GCEE COc1cc(CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)ccc1C#N 460603974 BLRSMZFKXRCYNH-UHFFFAOYSA-N 391.453 0.594 30 10 GCEE C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[S@]1=O 460614869 QCWLHOWVXAURDA-JHCVWZRZSA-N 386.437 0.445 30 10 GCEE COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 464947929 CQKGWEADJZIRLJ-HZPDHXFCSA-N 387.488 0.679 30 10 GCEE CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)Cc1ccc(C#N)cc1F 490091455 LGYKAGPWHRPVIG-CYBMUJFWSA-N 375.447 0.493 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 503793956 QGGFZZRWOBYIAC-LSDHHAIUSA-N 382.530 0.223 30 10 GCEE C=C(C)CN1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 532396742 CDIBSKGBGLYIPX-UHFFFAOYSA-N 393.532 0.213 30 10 GCEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 538080116 CKBNKIUHQQMFIG-UHFFFAOYSA-N 386.416 0.310 30 10 GCEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 543659735 XPDCTMVLJIHPRL-UHFFFAOYSA-N 384.417 0.445 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 549730825 PZUVGBQPYRDIQV-UHFFFAOYSA-N 395.407 0.047 30 10 GCEE Cc1cc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n(CCC#N)n1 562350223 YLFIWOKNAQHOSG-LUIVEPINSA-N 395.463 0.669 30 10 GCEE C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)CO1 567627059 BMILQKGRLLZYJQ-NEPJUHHUSA-N 385.467 0.477 30 10 GCEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C(=O)CC#N)CC1 574317325 KIUAAIRIZJRUPI-GOSISDBHSA-N 399.426 0.939 30 10 GCEE CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@]2(CCOC2)O1 577805208 LTPSATVKUCBBRZ-KSSFIOAISA-N 375.429 0.840 30 10 GCEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CCO1 577865436 ASHADGQRWVOCEA-OLZOCXBDSA-N 387.483 0.676 30 10 GCEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC[C@H](O)COc2ccc(CC#N)cc2)C1=O 591747735 DWCRXVRCAIPOSH-GUXCAODWSA-N 386.452 0.802 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C 593578375 IWGLVSJHYYGTSR-CHWSQXEVSA-N 381.454 0.420 30 10 GCEE C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)C2CC2)c1 594629230 PXASJRHMRWHULB-MLGOLLRUSA-N 399.494 0.507 30 10 GCEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)c1C#N 594779705 MTWADYXYNLJSPV-UHFFFAOYSA-N 391.413 0.414 30 10 GCEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C1 595621279 MSXHRPYUTCVOAX-KRWDZBQOSA-N 382.472 0.265 30 10 GCEE COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 597922273 KOCXFHTULOYHNO-DYVFJYSZSA-N 395.481 0.783 30 10 GCEE N#Cc1cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCCO2)c1Br 600029632 OVNFHTOJQCDOHM-RYUDHWBXSA-N 382.214 0.915 30 10 GCEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(NS(N)(=O)=O)CC1 600546272 BYNJCVLHVJEVQO-MRXNPFEDSA-N 380.470 0.746 30 10 GCEE Cc1ncccc1OC[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601497109 NOEHMJQGJKYZRX-KRWDZBQOSA-N 385.468 0.818 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603826313 MUMBIGYSWHCLNX-LLVKDONJSA-N 375.475 0.399 30 10 GCEE C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)/C(N)=C(\O)OCc1ccc([N+](=O)[O-])cc1 605658122 RWNAYGIUAQACKS-RUCLJAHUSA-N 379.369 0.498 30 10 GCEE CN(C)S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 610353398 LBJMMMBLRZYGGT-UHFFFAOYSA-N 381.458 0.071 30 10 GCEE C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 625576466 AHEQIPDHMNBWJP-KRWDZBQOSA-N 376.457 0.060 30 10 GCEE CN(C)c1ccncc1C(=O)NCC#CCNC(=O)c1cnccc1N(C)C 681340876 QTQLQNGHYBTOKQ-UHFFFAOYSA-N 380.452 0.772 30 10 GCEE C[C@@H](Oc1c(I)cc(C#N)cc1[N+](=O)[O-])[C@@H](N)C(N)=O 698608697 VPQFYOFIUMXDDV-MLUIRONXSA-N 390.137 0.651 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 728534975 UMLJCDCNLOXBIG-UHFFFAOYSA-N 386.477 0.019 30 10 GCEE COc1cccc(C[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n2nnnc2C)c1 732650177 IHEKWRSHOLXBJQ-PKOBYXMFSA-N 395.467 0.973 30 10 GCEE CCCN(C(=O)[C@@H](C)OC(=O)c1ccc(C#N)nc1)[C@@H]1CCS(=O)(=O)C1 734600033 UANUJDSYBSXUCK-IUODEOHRSA-N 379.438 0.924 30 10 GCEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC)c2=O)cn1 735069053 OSPMQWPGCIZWAN-UHFFFAOYSA-N 385.493 0.662 30 10 GCEE C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 761038699 RHMBHOQBLRGREV-GOSISDBHSA-N 390.509 0.265 30 10 GCEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CC2)C1=O 771583790 WFNKOPIYZRGMSL-RBZFPXEDSA-N 398.419 0.758 30 10 GCEE COc1cc(C)c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C 773301759 KEZXUDCAWKCULI-WUKNDPDISA-N 386.408 0.893 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)[C@H](C#N)C(=O)N1CCCC1 777292784 LKEDMTZJXZTSGZ-KBPBESRZSA-N 392.456 0.833 30 10 GCEE Cn1ncc(Br)c1C=NNC(=S)NCCN1CCOCC1 782128859 ZINQEWSBDZQPSB-UHFFFAOYSA-N 375.296 0.313 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)Cn2nnc3ccccc3c2=O)n1 788815240 WEUIUXCKVVSBAT-UHFFFAOYSA-N 380.408 0.296 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)C[C@@H](C)O1 816692104 GNWBIENJYOBLEP-ZOWXZIJZSA-N 397.453 0.204 30 10 GCEE C[C@@H](C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1)n1cnc(C#N)n1 817529990 CHDXMHIDOYUEDW-LBPRGKRZSA-N 376.417 0.559 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3nc(O)n(C4CC4)c3c2)CC1 825967343 HNABPALCSOJLFS-UHFFFAOYSA-N 381.436 0.584 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)C1 834582240 HXVWBTYTKKGMSG-INIZCTEOSA-N 376.501 0.355 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 836013513 HAOXCPIDJQVQDW-GOEBONIOSA-N 394.424 0.954 30 10 GCEE C#CCN(C)C(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 839225496 WDEGXUYMVKAHGD-UHFFFAOYSA-N 389.452 0.448 30 10 GCEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 841549997 KQIJYOOSZWUPCP-LBPRGKRZSA-N 392.524 0.253 30 10 GCEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 856117476 UGDWBYSNNRXWNE-KRWDZBQOSA-N 378.450 0.712 30 10 GCEE C=CCNC(=O)CNC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 858351809 OBAJXSYQISAVSJ-LOWDOPEQSA-N 388.390 0.729 30 10 GCEE C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 862098149 HYFAVUFNSIYPMY-KGLIPLIRSA-N 376.434 0.815 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 862199713 OSTKFPDTCSMVEJ-NSHDSACASA-N 377.353 0.849 30 10 GCEE Cc1[nH]nc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1C#N 863909987 QGUPNUDBNAQCRT-NSHDSACASA-N 376.417 0.996 30 10 GCEE C#C[C@H]1COCCN1S(=O)(=O)c1cnn(C)c1I 867387757 RLTCQJCGBSJLFJ-QMMMGPOBSA-N 381.195 0.047 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 874991175 ZYTCUYVQKPQEKQ-ZWKOTPCHSA-N 391.443 0.470 30 10 GCEE C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 876876492 FYLNDAQEKQUTAO-MRXNPFEDSA-N 386.924 0.533 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccnc2)C2CC2)CC1 893886626 WPPXYESQWFCQQM-MRXNPFEDSA-N 377.470 0.328 30 10 GCEE C=C1[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C 900025227 BKJYJNSVBGFLIL-HOTGVXAUSA-N 394.516 0.535 30 10 GCEE C#CCN1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CC1 906675203 SJOHKBIHKWLJEM-OAHLLOKOSA-N 399.513 0.188 30 10 GCEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 907063556 VBIRQTQJPBKEEY-UHFFFAOYSA-N 378.450 0.748 30 10 GCEE 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391.478 0.901 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)Cc2ccccc2F)c1 1306894365 IOFPRHFVLVGCPH-HNNXBMFYSA-N 391.424 0.695 30 10 GCEE Cn1c(=O)[nH]c(N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(C#N)c1=O 1307192967 NSSIBGLBZOWNIU-LBPRGKRZSA-N 391.428 0.080 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)CCC[C@]2(C)NC(=O)NC2=O)n1 1321130536 SLFRLDQOQCZYID-SFHVURJKSA-N 375.429 0.260 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 1321430290 QTWWSKZYHNLRLK-TZMCWYRMSA-N 381.454 0.315 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CS(=O)(=O)c2ccccc21 1323928831 COSCIPPJFCVFHX-KXEGMRRWSA-N 390.421 0.341 30 10 GCEE C#CCN(C(=O)C(=O)N1CC[C@H](c2cccc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 1324838395 SEMQDQDQYZJTKO-ROUUACIJSA-N 388.489 0.960 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 1325822679 LVNWXFOLKLVDLB-KBPBESRZSA-N 377.391 0.768 30 10 GCEE N#Cc1ccc(NCCNC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)nc1 1325886045 MXYKRMJYCYONRK-HNNXBMFYSA-N 395.419 0.828 30 10 GCEE CN(C)C(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccn1 1326517869 DIOIICXUEYWGEZ-QGZVFWFLSA-N 395.419 0.786 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CC1 1326854350 JBNGXOZDVMVDJI-MWDXBVQZSA-N 379.420 0.014 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CCO1 1327674449 PAOBNNJKSBVTDY-ZDUSSCGKSA-N 396.325 0.781 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)C1 1328221597 KBXXSYLCHFZWHC-ICSRJNTNSA-N 382.508 0.791 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2)[C@H]1CCS(=O)(=O)C1 1329137952 QSQMPUNTMZOVTR-XHSDSOJGSA-N 396.509 0.489 30 10 GCEE C=CCc1cc(CNC(=O)C(=O)NC[C@@H]2COCCN2C)cc(OC)c1OC 1330152381 YIMDWWXHSDTWFO-MRXNPFEDSA-N 391.468 0.495 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 1336095584 NENZTZGGKSWZNG-QGZVFWFLSA-N 386.500 0.530 30 10 GCEE C=CCOc1ccc(Cn2nnnc2N2CCN(c3nncn3C)CC2)cc1 1337225043 BNHQVTBHDJRDHU-UHFFFAOYSA-N 381.444 0.741 30 10 GCEE 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CC(C)[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)N(C)Cc1nnc2n1CCC2 1351705483 JVCJQAADXBILGH-LJQANCHMSA-N 395.467 0.833 30 10 GCEE N#Cc1ccc(OC2CN(C(=O)C(=O)N3C[C@H](CN)[C@@H](C(F)(F)F)C3)C2)cc1 1352094531 MTKNYZUTHXDALS-WFASDCNBSA-N 396.369 0.743 30 10 GCEE C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 1352378855 LLLGJPTVXQEZMH-HXUWFJFHSA-N 393.484 0.325 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCc2nc(COC)ncc2C1 1355921019 ZSPQWPASEOVCKJ-GOEBONIOSA-N 385.472 0.701 30 10 GCEE CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1448074326 BRXBMSYNBXYDBQ-MRXNPFEDSA-N 398.419 0.843 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CCF)C(=O)OC)s1 1452778758 YLOYZJACRRRVQZ-NSHDSACASA-N 378.447 0.772 30 10 GCEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCN(O)C1=O 1468373281 NBMCUHFEENMILQ-LLVKDONJSA-N 391.243 0.881 30 10 GCEE C[C@@]1([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)COC(=O)N1 1473806979 OYXXVJODVXWTSM-YOEHRIQHSA-N 378.454 0.937 30 10 GCEE 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CC(C)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccnn1C 1564573174 IGDQZOZHPMALPT-GRDNDAEWSA-N 379.486 0.739 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H](C#N)CO)(C(=O)OC(C)(C)C)C1 1569055104 KNEWASCIHFFBQQ-KZULUSFZSA-N 399.444 0.335 30 10 GCEE C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 1572840565 YPDSFGTZRCVLJK-VQHPVUNQSA-N 393.484 0.234 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1594962054 HICKUWOVXZHLNU-CABCVRRESA-N 384.502 0.998 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1594963515 UKRTURWXEBWPRT-CQSZACIVSA-N 396.473 0.578 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595804934 ITAVHUKPMRWXGK-GFCCVEGCSA-N 376.504 0.065 30 10 GCEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C#N)CCCOC2)cc1 1596284446 NHJORINRENKDPH-QGZVFWFLSA-N 381.454 0.548 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCCNS(C)(=O)=O 1596806271 FGXLHLDJKKHDNS-ZDUSSCGKSA-N 379.490 0.819 30 10 GCEE 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CO[C@@]1(C)C[C@@H]1NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282839365 CKOKQFYPKSNQJH-ZBEGNZNMSA-N 385.295 0.483 30 10 GCEE C[C@H](CC1CC1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841063 RPEAQVHZDAAGEU-LLVKDONJSA-N 384.311 0.923 30 10 GCEE CC(C)[C@@H](N)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282847710 CPIJCVOKPYUXKF-LBPRGKRZSA-N 386.327 0.371 30 10 GCEE C[C@H](CCS(C)(=O)=O)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283063055 QKGKJHLUBAHYQQ-LLVKDONJSA-N 383.279 0.329 30 10 GCEE C=C(CS(=O)(=O)N[C@H](C(=O)O)[C@H](O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2284397466 MHINXRHNQAULBU-RYUDHWBXSA-N 391.295 0.954 30 10 GCEE C=C(CS(=O)(=O)NCCn1cc(C(=O)O)nn1)B1OC(C)(C)C(C)(C)O1 2284399508 LBHRSVMHOXWKBO-UHFFFAOYSA-N 386.239 0.083 30 10 GCEE CC[C@H](CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284404439 YHORWWPFHVERJJ-SNVBAGLBSA-N 387.267 0.251 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H]3CNC[C@@H]3O)c(Cl)cc2F)OC1(C)C 2285971935 AZRXMURIGMDITK-KBPBESRZSA-N 384.644 0.841 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2336519620 GXRNVPIBTOHZTN-KOLCDFICSA-N 384.288 0.311 30 10 GCEE C#CCN(C(=O)CCN(CCO)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2342645063 JIYRPMGTEVMKQX-AWEZNQCLSA-N 388.486 0.255 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1[C@@H]2CN[C@H]1C2 2359277121 NBKSGOKIWXVFHF-DUVNUKRYSA-N 378.303 0.933 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CO[C@@H]3COC[C@@H]32)OC1(C)C 2362498367 IDPCNERGACCEPI-RAIGVLPGSA-N 380.275 0.834 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CC[C@H](C(=O)O)O2)OC1(C)C 2362571947 VAFCLXWUZOVWHS-GXSJLCMTSA-N 382.247 0.804 30 10 GCEE COc1[nH]c(=NC2[C@H]3CS(=O)(=O)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365346329 RPBBAPSTNQLLJX-QWRGUYRKSA-N 380.275 0.266 30 10 GCEE COCCn1cc(C#C[C@@H](N)[C@@](O)(CNC(=O)OC(C)(C)C)COC)cn1 2366094064 IWLYSDXNLXGDAO-CRAIPNDOSA-N 382.461 0.111 30 10 GCEE Cn1cc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 93044149 YJTBESVKEVLCJI-UHFFFAOYSA-N 379.428 0.887 30 10 GCEE C/N=C(/NC[C@H]1CN(C)CCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 152795027 HQKHRDLHRHXVHH-KRWDZBQOSA-N 393.919 0.890 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 175897274 RDLLJXJMAABMDN-AWEZNQCLSA-N 386.431 0.055 30 10 GCEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 255621219 BZXZFGFXHGSZSC-UHFFFAOYSA-N 396.472 0.932 30 10 GCEE CC/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@H]1CCN(c2ncccc2Cl)C1 261942700 DXBPIJIJWZKNCI-JKSUJKDBSA-N 391.951 0.869 30 10 GCEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)N/C(O)=N/C(C)(C)C)CC1 330581364 JCCZQXZXDTVASQ-AWEZNQCLSA-N 381.521 0.880 30 10 GCEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)CC1 366110260 UGXJXWGMGOVFJL-DNVCBOLYSA-N 387.509 0.669 30 10 GCEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)CC1 366110261 UGXJXWGMGOVFJL-HNAYVOBHSA-N 387.509 0.669 30 10 GCEE C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 373733089 XEXAULGKNKGMNW-VBKZILBWSA-N 386.404 0.675 30 10 GCEE COC(=O)[C@@H](C)S(=O)(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 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30 10 GCEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCC2(C#N)CCCCC2)CC1 597262949 QEIXGZOCHHTSTE-UHFFFAOYSA-N 391.516 0.636 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)NS(C)(=O)=O)cc2C1=O 597637245 JTKIORGKCMMTDD-UHFFFAOYSA-N 379.438 0.526 30 10 GCEE COC(=O)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CC1 598279010 ZAWDKMXMAFCQPW-IUODEOHRSA-N 393.465 0.931 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 598409223 GTDJTJWDEVKWEE-KRWDZBQOSA-N 376.438 0.183 30 10 GCEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(C#N)cc2)c1=O 600606515 SZBFZRWNBQDNFK-UHFFFAOYSA-N 394.387 0.978 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[C@H](O)C[C@H]2C3)CCN1Cc1ccccc1 601524706 FAFKYPDRFKIOFO-MKXGPGLRSA-N 382.464 0.595 30 10 GCEE CO[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)[C@@](C)(CO)C1 601527107 XMAIBIRZXOPMPL-FZKQIMNGSA-N 392.481 0.267 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CC1 605577934 ACUPHDIYAVYCKI-UHFFFAOYSA-N 394.497 0.562 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)CC2)nc1 615502304 AGIJGHOITRPGLE-HNNXBMFYSA-N 392.485 0.385 30 10 GCEE C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 627734587 XPMLAGIKVXBRDJ-AWEZNQCLSA-N 375.429 0.105 30 10 GCEE C=C(C)COCCNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 657734100 FHLHMGTYCLZMRF-UHFFFAOYSA-N 395.481 0.870 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(CCOCCOC)CC1 669336508 JYOALCNHXADHJZ-UHFFFAOYSA-N 390.492 0.435 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 732153466 HSEQRQZAMUEGMT-WVOMEGHKSA-N 386.383 0.821 30 10 GCEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(C#N)nc2)ccc1C 734601473 TXHIRKJQIPYDDX-UHFFFAOYSA-N 388.405 0.965 30 10 GCEE N#CCOc1ccc(Cl)cc1CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 735311105 KAYAIPCTXXKXTC-HZPDHXFCSA-N 399.900 0.830 30 10 GCEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 761025593 WEMDPKBAMBPUIB-UHFFFAOYSA-N 382.873 0.828 30 10 GCEE C#CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 774165080 NUZKQUHUZDBVPQ-SJORKVTESA-N 384.546 0.090 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 774215038 XSYZDHFDGVKRRI-UKRRQHHQSA-N 393.440 0.763 30 10 GCEE C[C@H](C(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1)n1cnc(C#N)n1 798744236 IYOGXXSINWOJHI-LLVKDONJSA-N 379.398 0.832 30 10 GCEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 806434859 WYZKNHRJNLRERX-HOTGVXAUSA-N 381.498 0.147 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H]3CCC[C@@H](N)[C@H]3C2)n1 817984072 MNRFGDXECCJKJQ-RYQLBKOJSA-N 387.484 0.077 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 824604907 WHRMMZHGEIOSBG-BBRMVZONSA-N 396.465 0.756 30 10 GCEE C=C(Br)CNC(=O)C(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2 824989000 UBCXMNASTKTCPT-GRYCIOLGSA-N 388.262 0.994 30 10 GCEE C#CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 829586440 CYWSCGNMQIVCBS-ZDUSSCGKSA-N 377.441 0.901 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(N(CCOC)CCOC)CC2)C1 843255786 WZWWWTSISLHWBZ-GOSISDBHSA-N 393.528 0.834 30 10 GCEE 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CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1695499271 HOJVLQAXFNMEPU-MRXNPFEDSA-N 395.467 0.997 30 10 GCEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nnn(C)n1 1696762587 AERHJBAHIOQESU-AWEZNQCLSA-N 379.428 0.861 30 10 GCEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1705482384 XVBIWIUXCLJCJT-ZDUSSCGKSA-N 389.481 0.895 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@]2(C)COCCO2)CC1 1705650795 ZMMMAZWQPFLYLP-LJQANCHMSA-N 375.473 0.612 30 10 GCEE C=C[C@@](C)(CCOC)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1718219135 JINRBXZBFJCLGX-LBAXQKCOSA-N 392.496 0.718 30 10 GCEE CC(=O)N1CC[C@@](C)(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)C1 1719805276 KGTGUXQPAMOJBR-LDDOYCOJSA-N 378.498 0.750 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1722298573 FNFYSTIJHNAILO-OAHLLOKOSA-N 399.499 0.880 30 10 GCEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC 1722425993 ULPSXWSXGKRMPC-UHFFFAOYSA-N 395.467 0.739 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCC2)CC1 1722438707 YSHLIIAMSSUMGB-UHFFFAOYSA-N 380.500 0.975 30 10 GCEE N#CCSCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCO1 1735587545 QTBICRMCYNITMI-UZVBGSJOSA-N 379.482 0.400 30 10 GCEE C=CCCOCC(=O)N1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1736448474 CJKDQHJZHAUQBR-ZMSPIWPASA-N 378.469 0.736 30 10 GCEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2c(c1)nnn2C 1736495273 ZYJGIYQSRWWJQE-TXPWEPMLSA-N 381.436 0.868 30 10 GCEE C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCCn2cncn2)cn1 1736587922 QPIWZAUBFRBEQK-KURKYZTESA-N 378.436 0.997 30 10 GCEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnnn1CC1CC1 1740600620 PRQHTBCEENDPRA-SFHVURJKSA-N 386.460 0.444 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1740641563 CIASOMLFRMFIOL-UHFFFAOYSA-N 383.477 0.862 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](COC)OC 1740725281 OQPHUYIHUHWQGV-GRDNDAEWSA-N 399.517 0.542 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1740734315 YKZDLMJZHLNMHK-RZQQEMMASA-N 387.484 0.933 30 10 GCEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750389150 WMRVVQHXFZODNW-YWMAMYRUSA-N 397.439 0.486 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2)CC1 1760273452 VDRFHTGMMBAPRR-QGZVFWFLSA-N 397.483 0.877 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1760432333 HSWSDBCLYLYFGL-AWEZNQCLSA-N 398.533 0.913 30 10 GCEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cs1 1773060973 HBDQCGOAIXAXTG-UHFFFAOYSA-N 386.502 0.639 30 10 GCEE N#Cc1cccc(C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)c1F 1851970825 NOUUKSGXPQODEK-UHFFFAOYSA-N 380.445 0.537 30 10 GCEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)ccn1 1853820603 WYYZAVIPZQPPPS-QGZVFWFLSA-N 391.435 0.697 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3Cc4cncnc4C3)C2=O)CC1=O 1854121792 SXDHOTJRPFIZAU-YOEHRIQHSA-N 383.452 0.734 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc(C4CC4)no3)[C@@H](C)C2=O)CC1=O 1855233706 QHWWHPCZGBIPFV-JSGCOSHPSA-N 387.440 0.541 30 10 GCEE Cc1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)nn1C 1856390527 CPSMZGQZTNBAAW-AWEZNQCLSA-N 394.435 0.747 30 10 GCEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC3CCCC3)C(=O)C2)C1 1856829896 JETLBYFJQJICOL-HNNXBMFYSA-N 382.486 0.165 30 10 GCEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1)[C@H]1CCN(C)C1=O 1857274601 PNDSWSPFOGBKKD-YOEHRIQHSA-N 381.436 0.661 30 10 GCEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(C)n(CC)n2)C1)[C@@H]1CCN(C)C1=O 1857285356 SKLZIZRXNUAACQ-DOTOQJQBSA-N 387.484 0.919 30 10 GCEE CC1(C)C(=O)N(C(=O)CN2CCCC2=O)CCN1CC(=O)c1ccc(C#N)cc1 1857488723 VGLRZMDNWRTFJV-UHFFFAOYSA-N 396.447 0.813 30 10 GCEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CC[C@H](N)C(=O)O)sc2c1 1866019912 FIBLEPQICCOWRC-JTQLQIEISA-N 398.466 0.891 30 10 GCEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccn2)CC1=O 1874338686 VBYOKRIOEZXKHB-WUWVFJBVSA-N 387.469 0.857 30 10 GCEE C#CCOCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1963700230 YEQMKXOZUCUKEN-OAHLLOKOSA-N 379.457 0.707 30 10 GCEE CC(C)(C)OC(=O)N1CCN(C(=O)CN=c2[nH]cnc(Cl)c2C#N)CC1 2106117054 MGELWNFVBKBFBH-UHFFFAOYSA-N 380.836 0.915 30 10 GCEE C[C@H](C#N)CS(=O)(=O)N(CC(N)=O)C1CCN(C(=O)OC(C)(C)C)CC1 2118170529 RJCZCSDLWYYVPA-GFCCVEGCSA-N 388.490 0.663 30 10 GCEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC(C#N)C1 2118172750 XWTIPUNWWPJKGA-AWEZNQCLSA-N 388.490 0.644 30 10 GCEE CC(C)(C)OC(=O)N1CCN(c2ncc(N)cc2C#N)[C@H]2CS(=O)(=O)C[C@H]21 2163163767 YNKVAHPRASGBPF-UONOGXRCSA-N 393.469 0.758 30 10 GCEE Cc1ncnc(N(C)C[C@@H]2CCS(=O)(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2172777576 FIUBQHDAXMQWPU-ZDUSSCGKSA-N 381.307 0.955 30 10 GCEE CC1(C)CNC[C@H](CS(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)O1 2181253665 FVCSAPDPEAPGJV-QZTJIDSGSA-N 392.525 0.793 30 10 GCEE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2183620743 UGVSWROISFOCSG-NSHDSACASA-N 384.263 0.932 30 10 GCEE C=C[C@]1(CO)COCCN1C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C 2199881064 YEHPXUJRWJOUKV-SFHVURJKSA-N 380.445 0.834 30 10 GCEE C#CCN1CC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 2204223727 YBJVJHREVOQVFV-ZBFHGGJFSA-N 380.489 0.476 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)C1 2237780726 CFHREZGPQHXXPN-DCGLDWPTSA-N 399.469 0.162 30 10 GCEE CC1(C)OB(c2cccnc2NC2CCN(S(N)(=O)=O)CC2)OC1(C)C 2241103802 LNUJNVXXEOAXSF-UHFFFAOYSA-N 382.295 0.461 30 10 GCEE C#C[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267708279 GYUCKNKJBAHXLX-GFCCVEGCSA-N 385.678 0.912 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)OC1(C)C 2267723124 ONAIZNPDUOQNHA-NWDGAFQWSA-N 389.304 0.164 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H]2C(=O)O)OC1(C)C 2269016294 NPGVSCVCZBOWBZ-IUCAKERBSA-N 388.276 0.335 30 10 GCEE CC1(C)OB(c2ccc(F)c(C(=O)N3CCS(=O)(=O)CC3)c2)OC1(C)C 2281789131 KJUUTDNHTHKFAQ-UHFFFAOYSA-N 383.250 0.996 30 10 GCEE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281961229 KJDMTGONOGRKRN-BZPMIXESSA-N 383.275 0.240 30 10 GCEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCS1(=O)=O 2281968315 WBNLMEMUBFGJTJ-MNOVXSKESA-N 383.279 0.025 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)C[S@](C)=O 2282002406 NSQPXTBMJRZHRS-QYOLQKOISA-N 383.323 0.867 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3CCO[C@]3(CO)C2)OC1(C)C 2282005209 OJLXJXCEBYWNFC-DIFFPNOSSA-N 380.275 0.666 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1O 2282049467 ZNRLNYNNDWTCHJ-VCQIMIBNSA-N 383.194 0.185 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2282054437 QOTPAFRROOTOIQ-MNOVXSKESA-N 398.315 0.701 30 10 GCEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1C 2282313321 JRRABAHSIDLJNP-NEPJUHHUSA-N 384.311 0.781 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@](C)(CN)C3CC3)c2)OC1(C)C 2282345933 KGDPERYRIRBTCL-QGZVFWFLSA-N 381.307 0.787 30 10 GCEE CN(C)[C@@H]1CC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282353352 GSFACGOXKHVGRH-HUUCEWRRSA-N 381.307 0.752 30 10 GCEE CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282411004 ZTDIIGJEHIYRQJ-UHFFFAOYSA-N 386.254 0.539 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC(=O)N1 2282418191 GXFVOUDKUFUSNG-LBPRGKRZSA-N 380.275 0.495 30 10 GCEE CC[C@H]1COCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282511068 JFTNEZPFVQMUKV-LBPRGKRZSA-N 385.295 0.519 30 10 GCEE CCn1cc(C(=O)NC[C@]2(O)CCSC2)nc1B1OC(C)(C)C(C)(C)O1 2282539272 RKCJXVNTWFOJDM-QGZVFWFLSA-N 381.307 0.800 30 10 GCEE CN(CCCS(C)(=O)=O)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282715955 NRRWKVYDVMQXAE-UHFFFAOYSA-N 382.291 0.888 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[C@@H](O)CO 2282828217 KKUXKOXFSWYWCM-YGRLFVJLSA-N 389.254 0.145 30 10 GCEE CONCCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282843086 HWEGOBWSGYWGFE-UHFFFAOYSA-N 388.270 0.944 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N3CCOCCN3)ccc2F)OC1(C)C 2282845031 MCILDSPPCZFFGG-UHFFFAOYSA-N 386.254 0.650 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC[C@@H](N)C1 2282849442 BLOCEBXXPRAETL-NEPJUHHUSA-N 384.311 0.268 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2282851060 WXWVXWBMFIPDDT-SLSSYGISSA-N 379.291 0.652 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]1C(F)(F)F 2282867702 CGRKQFGQZPKRQY-HTQZYQBOSA-N 396.200 0.343 30 10 GCEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC2(C(N)=O)CC2)OC1(C)C 2282871405 GLYSPFICFSGTQS-UHFFFAOYSA-N 380.275 0.423 30 10 GCEE COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284426339 KJEVNLZJHDBPHZ-JQWIXIFHSA-N 381.259 0.796 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCN(CC(=O)O)C3)ns2)OC1(C)C 2284482606 JSOOKZRGWFSYFI-SNVBAGLBSA-N 381.263 0.331 30 10 GCEE CC1(C)OB(c2cc(C(=O)NCCn3cc(CN)nn3)cs2)OC1(C)C 2287192776 GWCCGKZOSSOEIZ-UHFFFAOYSA-N 377.279 0.528 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCSCCO)OC1(C)C 2335625893 MVEPAMFJQBLNJJ-UHFFFAOYSA-N 387.332 0.990 30 10 GCEE Cn1cc(C#C[C@@H](N)[C@]2(O)CSC3(CN(C(=O)OC(C)(C)C)C3)C2)cn1 2340480772 SVZWNNGPCOPUKY-RDTXWAMCSA-N 378.498 0.956 30 10 GCEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2342070777 CDKUKJCHNIYQJB-KGLIPLIRSA-N 386.514 0.915 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2C[C@H]3OCC[C@@H]3N2)OC1(C)C 2362576949 PMOYCHWZIOPBRF-WCFLWFBJSA-N 379.291 0.692 30 10 GCEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](N)C#Cc1ccn(C2CC2)n1 2366117990 HECCDOCDUJGJPN-HZPDHXFCSA-N 394.497 0.835 30 10 GCEE C#CCNC(=O)CCN[C@@](CCCNC(=O)OC(C)(C)C)(COC)C(=O)O 2379430942 PKKXSSHSZLGJOA-SFHVURJKSA-N 385.461 0.490 30 10 GCEE N#CCSCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 24618427 BHNKJNLCYMVPEF-UHFFFAOYSA-N 375.497 0.642 30 10 GCEE CN1CCN(NC(=O)[C@@]23CC[C@@](C)(c4nc(C#N)c(C#N)nc42)C3(C)C)CC1 39846146 PSLSRMSRSKHNCI-VQTJNVASSA-N 379.468 0.828 30 10 GCEE N/C(=N/O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCO1 162254717 CNMVYOSKNUGDOI-VIFPVBQESA-N 382.211 0.724 30 10 GCEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(CC(=O)Nc2nncs2)CC1 179645579 MESUOEIBYSVUKF-CQSZACIVSA-N 378.502 0.683 30 10 GCEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 282807860 HTHHRCAKFCWSSJ-CHWSQXEVSA-N 385.490 0.854 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 410384643 HQRMHTXPLANZBK-KRWDZBQOSA-N 383.470 0.873 30 10 GCEE C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 420597086 IYFXNSNONPRFKN-JKSUJKDBSA-N 387.436 0.954 30 10 GCEE COCC1(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCC1 422445758 KZSPIYAFRRJWNW-UHFFFAOYSA-N 385.468 0.925 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC1 422596471 RXZUDAAQMZFAMD-AWEZNQCLSA-N 392.410 0.057 30 10 GCEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 459893734 DDMMOBOBCXMXNA-MRXNPFEDSA-N 398.467 0.119 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 468272423 LOLLJAUPJJYNRN-UHFFFAOYSA-N 399.539 0.645 30 10 GCEE N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1Br 499905330 NOLMVAGBXUHFSS-SNVBAGLBSA-N 379.170 0.181 30 10 GCEE Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1C#N 508239369 XPMWQPONVJSEOA-CYBMUJFWSA-N 378.454 0.736 30 10 GCEE C=CCN(C(=O)c1ccc(CN2CCOCC2)cn1)[C@@H]1CCS(=O)(=O)C1 540509709 QGDUKBKVQRPHCA-MRXNPFEDSA-N 379.482 0.729 30 10 GCEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 545272973 VWPIPJZBOXUVHH-NSHDSACASA-N 392.441 0.998 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 564951560 NIZQWPBMSLBKSN-OALUTQOASA-N 384.480 0.863 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 565610569 FEHGAGWDJGXRDX-BLLLJJGKSA-N 391.449 0.432 30 10 GCEE CCOC(=O)Cn1cccc(NC(=O)C(=O)NCc2ccc(CC#N)cc2)c1=O 566008434 GBRDPDNYAWRSGU-UHFFFAOYSA-N 396.403 0.732 30 10 GCEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)CC#N)CC1 573335140 HUFNKTAKRGSHEX-UHFFFAOYSA-N 387.440 0.116 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](CN)C2)n1 575971455 XKXRMIFZIPUKMI-GFCCVEGCSA-N 386.843 1.533 30 10 GCEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 582724569 BHGGTPDYOCSUDF-UHFFFAOYSA-N 399.495 0.428 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)c(F)c1 586862511 ZHWKNZOCBKKYDG-UHFFFAOYSA-N 375.400 0.969 30 10 GCEE CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 590975453 SSKDXLHGEVAOJC-QGZVFWFLSA-N 384.484 0.591 30 10 GCEE CCOC(=O)c1snc2c(=O)n(CC(=O)N[C@@](C)(C#N)C3CC3)cnc12 593424040 ZWOHKZIVVYRXJV-INIZCTEOSA-N 375.410 0.838 30 10 GCEE CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1)[C@H](C)O 594632828 OYGROZLAQXJOEL-COPLHBTASA-N 375.472 0.315 30 10 GCEE N#Cc1ncc(C(F)(F)F)cc1-n1cc(CN[C@H]2CCS(=O)(=O)C2)nn1 594650369 SXUDGIAZVMEFFV-JTQLQIEISA-N 386.359 0.829 30 10 GCEE Cc1cncc(CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 595123681 LRMKFPVECJGOQA-UHFFFAOYSA-N 392.463 0.660 30 10 GCEE C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2 595171332 NLXFICIVSZTGIF-HXPMCKFVSA-N 383.383 1.316 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3(C(=O)O)CCC3)CC2)cc1 595275270 BGVUHIDIBDFGOR-UHFFFAOYSA-N 384.436 0.574 30 10 GCEE CC(C)(C)OC(=O)C1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCC1 597258542 PHRDJZXERCVHJD-UHFFFAOYSA-N 378.473 0.719 30 10 GCEE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 599500915 DNEKAINPQRAZMT-UHFFFAOYSA-N 386.499 0.257 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)c1 600763891 NCBPKPNLGXJTQB-RWMBFGLXSA-N 387.483 0.268 30 10 GCEE C[C@@]12CNC[C@]1(C)CN(C(=O)C(=O)N1CCN(c3ccsc3C#N)CC1)C2 600799409 AENLVYYADNIGTC-KDURUIRLSA-N 387.509 0.726 30 10 GCEE CN(C)c1nc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cs1 613103265 UJFAAZRPHPCNMM-UHFFFAOYSA-N 396.436 0.916 30 10 GCEE CN1C(=O)NC2(CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)C1=O 613156936 MQJWKNXCYUHDHP-UHFFFAOYSA-N 394.395 0.687 30 10 GCEE CCN1CC[C@H]2OCCN(CC#CCN3CCO[C@@H]4CCN(CC)C[C@@H]43)[C@H]2C1 645177816 LYMNCXKGMGRULU-FNAHDJPLSA-N 390.572 0.580 30 10 GCEE C=CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCN1 662474985 IQYZHMTYDTYDNW-SFHVURJKSA-N 392.481 0.444 30 10 GCEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 759574985 NKRVWFDEWAUWFY-HNNXBMFYSA-N 398.506 0.176 30 10 GCEE C[C@H](CC(=O)NC1(CCO)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 765648249 GYOCVUBVZXWVJP-CYBMUJFWSA-N 395.481 0.552 30 10 GCEE C[C@H](C(=O)NS(=O)(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 798811387 BIMSCYTVHUJYME-MRVPVSSYSA-N 384.215 0.978 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 831584280 JOQGRCGCSDVKNT-UHFFFAOYSA-N 379.360 0.832 30 10 GCEE CC(C)CN(C(=O)COC(=O)c1ccc(C#N)n1C)[C@@H]1CCS(=O)(=O)C1 838000594 XZRWNNKZVCMQAV-CQSZACIVSA-N 381.454 0.725 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)n1 839369927 KDXRWJDXLJVYFC-QAPCUYQASA-N 388.468 0.517 30 10 GCEE C=C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 842975759 VECMWJYZONNRDQ-CQSZACIVSA-N 399.469 0.790 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 843243907 HCTKWMUDYGVVOC-HOTGVXAUSA-N 383.514 0.569 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 843245009 YEEAOIRJKRFTDE-IRXDYDNUSA-N 376.501 0.307 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1[C@H]2CCC[C@H]21 848956496 RVQSCLYLTMCXNT-HALDLXJZSA-N 393.490 0.911 30 10 GCEE COC(=O)c1cccc(COC(=O)CC2(n3cnnn3)CCOCC2)c1C#N 850232750 ORKKHYPRZRHGAG-UHFFFAOYSA-N 385.380 0.971 30 10 GCEE N#Cc1ccc(CN2C(=O)CN(CN3CC[C@H](Cn4ccnn4)C3)C2=O)cc1 853521904 HEJOZMUYXJYZHG-KRWDZBQOSA-N 379.424 0.894 30 10 GCEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H](C#N)C1 859893736 WCYVUQMVLHARGJ-ZIAGYGMSSA-N 390.444 0.900 30 10 GCEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H](C(N)=O)C1 862819056 JAHVFPIINLFUFD-YRGRVCCFSA-N 392.481 0.664 30 10 GCEE CCOC(=O)C1=CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 862876351 LSDVNJKDDGOQFN-WFASDCNBSA-N 391.449 0.993 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)O)CCCOC2)cc1 864193397 LOLBXEFMPWVKTL-QGZVFWFLSA-N 380.422 0.209 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCCCNC2=O)s1 874290713 RNSWJUBHFCPQBI-ZDUSSCGKSA-N 385.511 0.882 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 875326550 MPCHOYDHTCXAFP-KFWWJZLASA-N 381.473 0.903 30 10 GCEE C#CCN(Cc1cn(C)nc1I)[C@@H]1CCS(=O)(=O)C1 893968258 GRZWXYPUAHBWCZ-LLVKDONJSA-N 393.250 0.647 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@]2(C(F)(F)F)CCCN2)CC1 911235482 FRAUQHYRFYDJDA-MRXNPFEDSA-N 376.423 0.944 30 10 GCEE CO[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccccc1 922668875 IGZXUXSSMWRJNE-RYRKJORJSA-N 377.466 0.824 30 10 GCEE C#CCN1CCN(C(=O)CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1 934760805 UTBGCENKXZLJPP-AREMUKBSSA-N 383.562 0.050 30 10 GCEE N=C(N=Cc1cc(Br)cc([N+](=O)[O-])c1O)NC(=O)c1nc[nH]n1 1084216878 LFJMBNOEUFBATO-UHFFFAOYSA-N 382.134 0.965 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 1118003401 UZOQFDCFIRJLAZ-GOSISDBHSA-N 379.416 0.373 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCN(c2nccnn2)CC1 1122615974 UYVLYTAKPAUHSO-OAHLLOKOSA-N 385.476 0.369 30 10 GCEE CS(=O)(=O)c1ccc(OCCCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1176421756 HWEBSKWFODJGRH-YOEHRIQHSA-N 398.506 0.729 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1 1261557884 QZDZYAWCLHPHCG-MCIONIFRSA-N 385.386 0.727 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2cc(C)cnc12 1282729723 MBCHNNPTLMPJGS-OIISXLGYSA-N 381.436 0.939 30 10 GCEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C#Cc3cccs3)CC2)cn1 1293852283 GTQKUIMHBXBRHU-UHFFFAOYSA-N 378.479 0.803 30 10 GCEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1300431383 GFSLQPMORVTHJO-IBGZPJMESA-N 387.440 0.909 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccn(C)n2)CC1 1300703231 CERDCQJEBYTMJR-UHFFFAOYSA-N 390.495 0.995 30 10 GCEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)CC1 1301080047 NYCYJHQJNKXMQK-ZDUSSCGKSA-N 382.490 0.325 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 1323742956 CBPJVIWVECNIBT-QGZVFWFLSA-N 386.452 0.745 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC2CC1(c1ccccc1)C2 1328035105 HMSOQOIMLRSXPL-ZCXUNETKSA-N 394.431 0.777 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 1328711219 VUMQJYHELRMHAU-OAHLLOKOSA-N 396.369 0.886 30 10 GCEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC2)CCN1C1CC1 1329978679 UKDIKBISHDPNKL-RDJZCZTQSA-N 399.499 0.727 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1331599138 QGYPDJAQJJIXND-BZUAXINKSA-N 393.484 0.999 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1338724585 YDTQSIJUMIJBDI-VWYCJHECSA-N 395.407 0.984 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1338867339 JVCJRFIAGCQTJW-KBPBESRZSA-N 391.501 0.946 30 10 GCEE C=CCn1c(C[C@@H]2CCCCC(=O)N2)nnc1N1CCS(=O)(=O)[C@H](C)C1 1339087566 IBBYPNMJNZIWPY-KGLIPLIRSA-N 381.502 0.689 30 10 GCEE C=CCn1c(-c2c[nH]c3ccnn3c2=O)nnc1N1CC[C@@H]2[C@@H](CCN2C)C1 1339418754 MGJGUNULRPFPOR-DZGCQCFKSA-N 380.456 0.998 30 10 GCEE C=CCn1c(N2C[C@H](C)O[C@H](C(=O)OC)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1339851569 CORHNEDZWPCPKB-MOROJQBDSA-N 379.461 0.142 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3C[C@@H](O)CN3C)n2C[C@@H]2CCCO2)C1 1343327960 OMEULXIVKDYLFA-TWMKSMIVSA-N 377.489 0.976 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N(C)CCOc2ccc(C)cc2)CC1 1344631705 ZMCCIDZLUQHMSL-UHFFFAOYSA-N 385.464 0.820 30 10 GCEE C#CCN1CCN(c2nnc(CN3CCC(O)CC3)n2Cc2cc(C)on2)CC1 1346806066 NSJWMWZYSIAHSR-UHFFFAOYSA-N 399.499 0.335 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H]1CCOC1 1346858079 OOZJUORCQYOLSZ-IKGGRYGDSA-N 377.489 0.693 30 10 GCEE C=CCn1c(Cc2cscn2)nnc1N1CCO[C@H](CNC(=O)NC)C1 1356018216 QGDFTKRNPGJDKA-CYBMUJFWSA-N 377.474 0.646 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 1356345352 QVXKMWBMTOSAKW-OAHLLOKOSA-N 378.469 0.944 30 10 GCEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358955402 LFAYKPVWVSZJDO-CQSZACIVSA-N 379.486 0.551 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1nnnn1CC1CC1 1358980176 MKWFNFGDCRNHHR-UHFFFAOYSA-N 387.451 0.782 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COCCC2(OC)OC)c1 1453764716 FVQISZPJQYAFJZ-OAHLLOKOSA-N 384.454 0.659 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(C)(C)CS(N)(=O)=O)c1 1454773797 OGVQWQYVEPOTDT-UHFFFAOYSA-N 386.495 0.528 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCO[C@](C)(C#N)C1 1456484550 PCCRZWIVLLWYKG-FZKQIMNGSA-N 380.445 0.643 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)NCc2cccc(S(C)(=O)=O)c2)CC1 1478635331 GOAYOCNWWMLIBL-UHFFFAOYSA-N 377.466 0.761 30 10 GCEE CCc1nnc(N(C)CC(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1513784168 FKPRUFQCXUUTDG-WUKNDPDISA-N 389.460 0.328 30 10 GCEE C=C(C)Cn1c(C[C@@H]2SCCNC2=O)nnc1N(C)CCS(C)(=O)=O 1515639889 HYRWLRAZBBIETK-LBPRGKRZSA-N 387.531 0.109 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1515911141 CNFITKIFWIDQIC-RKVPGOIHSA-N 395.529 0.728 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CC[C@H](OCCOCC)C1 1520392555 JSDCXWRYQRMQJS-GJZGRUSLSA-N 395.529 0.870 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nnnn1CC1CC1 1538961980 FVMCRDRCDNPDDP-CYBMUJFWSA-N 383.460 0.417 30 10 GCEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539513128 IAFMQUWGMDHMQT-HOTGVXAUSA-N 399.524 0.772 30 10 GCEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540863925 JTHQWEVFUSXGQL-IRXDYDNUSA-N 389.548 0.884 30 10 GCEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540868508 IAZGFARRNOOPFH-JKSUJKDBSA-N 399.455 0.422 30 10 GCEE CCO[C@@H]1COC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1542601550 SQYRGZRHOXLWMN-ARFHVFGLSA-N 386.408 0.683 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@H]2C(=O)OC)s1 1557414302 GMRVCUWEUBTENY-SMDDNHRTSA-N 388.467 0.202 30 10 GCEE CN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@H]1CCC[C@@H]1C#N 1557906939 QOTCJWGQQMBMSE-YGRLFVJLSA-N 398.872 0.868 30 10 GCEE CCS(=O)(=O)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564688811 AJMJYCQWNSUQCU-MRXNPFEDSA-N 392.481 0.783 30 10 GCEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC 1568154585 MAXGQROPUKBWLM-LXIYXOSZSA-N 386.445 0.607 30 10 GCEE 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1760248093 AHEDJJBUPKOXFL-XHSDSOJGSA-N 375.473 0.866 30 10 GCEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1760250436 HIPSYWQIWXLQLD-CQSZACIVSA-N 397.426 0.911 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1760464383 GOIFGRNVHHXGPS-YOEHRIQHSA-N 399.517 0.394 30 10 GCEE C=CCNC(=O)[C@@H](C)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCC1 1772566151 LNEXMHLIMMUVDR-LTIDMASMSA-N 379.501 0.747 30 10 GCEE Cc1nc([C@H]2CN([C@H](C)C(=O)ON3C(=O)c4ccccc4C3=O)CCO2)n[nH]1 1772789792 LURXUFKMHIZPKN-QMTHXVAHSA-N 385.380 0.629 30 10 GCEE O=C(NCC#CCN1CCOCC1)C1CN(C(=O)COc2ccccc2F)C1 1850076974 FNNTXBQSXJUOCR-UHFFFAOYSA-N 389.427 0.115 30 10 GCEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(Cc3ccc(CC)cc3)C2)NC1=O 1851238009 SOLOTMIAMOMUGI-HNNXBMFYSA-N 396.447 0.918 30 10 GCEE C=CCN1CC[C@@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1853729544 SEGGTESVERRGQY-QGZVFWFLSA-N 387.484 0.634 30 10 GCEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)c2cccc(Br)n2)CO1 1853953473 AOVVYUYATMBART-MRVPVSSYSA-N 376.188 0.470 30 10 GCEE C=CCCN1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C(C)C)n3)C(=O)C2)C1 1854164820 RSRJEELYVSPYCC-INIZCTEOSA-N 387.484 0.759 30 10 GCEE N#CCC(=O)N1CC[C@@H](N2CCN(CCn3cnc4cc(F)ccc43)CC2)C1=O 1855471928 UXCZCVSFOCMQEI-GOSISDBHSA-N 398.442 0.834 30 10 GCEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(c4nc(C)no4)C3)CC2=O)CC1=O 1857212431 NODFPEDVHOAZLC-KBPBESRZSA-N 387.440 0.187 30 10 GCEE CN1CCC(=NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)NC1=O 1866117384 VYANOCHIWHIFLL-CYBMUJFWSA-N 389.412 0.517 30 10 GCEE CC(=O)Nc1ccc2[nH]cc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c(=O)c2c1 1866439641 ICEZKXUJXRKPPP-UHFFFAOYSA-N 375.348 0.822 30 10 GCEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCCO)sc2c1CCC2 1872707373 OEWRALWHMCWOPQ-UHFFFAOYSA-N 391.409 0.621 30 10 GCEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CC(C#N)C1 2025289139 FYPHPRAZMIZADH-NEPJUHHUSA-N 376.504 0.627 30 10 GCEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 2181145605 ARBNHHMULKPCRU-INIZCTEOSA-N 377.489 0.642 30 10 GCEE CC1(C)OB(c2ccc(F)c(CNC(=O)NCS(C)(=O)=O)c2)OC1(C)C 2203122777 IFPBPEFERYDFMW-UHFFFAOYSA-N 386.254 0.926 30 10 GCEE C#CCCN1CCC[C@@H](NC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2204042842 ZYNGXKAYCYCFFQ-HUUCEWRRSA-N 383.464 0.910 30 10 GCEE C#CCN1CC[C@@H](NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2204229552 YATDACYBQRITRI-HUUCEWRRSA-N 399.513 0.234 30 10 GCEE C[C@H](CCC#N)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244224363 MQGJZAXDXJSYSW-OCCSQVGLSA-N 383.426 0.978 30 10 GCEE C[C@H](O)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255933094 KVUGIRRUWJXSHK-ZJUUUORDSA-N 376.309 0.631 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCO)CCO)OC1(C)C 2255954487 ZOIDCSUCHJQVSG-UHFFFAOYSA-N 377.293 0.023 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CC2(F)F)n1 2267463631 BGQZOLYARCJTMT-VIFPVBQESA-N 377.222 0.653 30 10 GCEE CN(C)C1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705336 HGTZGXNCTYIWQN-UHFFFAOYSA-N 387.336 0.518 30 10 GCEE C[S@@](=O)CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267706234 UCUBHJKRWXBQIA-XMMPIXPASA-N 387.332 0.784 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(O)(CN)C1 2267707804 YFOXGVUSBVVCKL-UHFFFAOYSA-N 388.320 0.050 30 10 GCEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1C#N 2269877074 RRLCNGUWBBZRJB-GFCCVEGCSA-N 384.458 0.849 30 10 GCEE CN(CC1(O)CNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2271702723 OFMGEWOEUSKXDC-UHFFFAOYSA-N 388.320 0.002 30 10 GCEE CC(C)(C#CC(=O)N[C@H](CSCC(=O)O)C(=O)O)NC(=O)OC(C)(C)C 2272866024 OEMNAHBYWSCMNK-SNVBAGLBSA-N 388.442 0.680 30 10 GCEE Cn1ncc(C(=O)NCC(C)(C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281825948 XFOXCMBPRCCZMK-UHFFFAOYSA-N 385.295 0.272 30 10 GCEE Cc1nc(C(=O)N2CCOC[C@@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282013860 MLYZSAHLXKLHTM-QGZVFWFLSA-N 382.291 0.974 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCN(C3COC3)C2)OC1(C)C 2282015032 KGBBWCGPVLATDB-LLVKDONJSA-N 379.291 0.645 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@@H]3C[C@@H](O)C[C@@H]32)OC1(C)C 2282019412 LHALLSQHGZWKJX-WCFLWFBJSA-N 380.275 0.807 30 10 GCEE Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)sc1B1OC(C)(C)C(C)(C)O1 2282110350 OITUCSBAZFGJHQ-ZMJPVWNMSA-N 379.287 0.922 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1 2282117663 URBWEHSHQPLOCV-GFCCVEGCSA-N 382.291 0.701 30 10 GCEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2)OC1(C)C 2282187598 KVMSFYUQAIGPKN-LBPRGKRZSA-N 380.275 0.545 30 10 GCEE C[C@H]1CCC[C@@]1(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282286553 NILHBJQMJXNMCU-MEDUHNTESA-N 384.311 0.971 30 10 GCEE CNC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282316508 DINZVSWLJCCNCW-UHFFFAOYSA-N 386.254 0.539 30 10 GCEE CC(C)[C@H](CCO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282343117 CGPJJJFJFWOJAS-ZDUSSCGKSA-N 387.311 0.405 30 10 GCEE Cc1nncn1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282351333 ZCSYQNOTEKFNRX-UHFFFAOYSA-N 398.319 0.926 30 10 GCEE CN(C(CO)CO)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282498796 JOMZMVAULFHHMW-UHFFFAOYSA-N 385.291 0.101 30 10 GCEE C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502062 GEVZOPVKQIBZTB-NWDGAFQWSA-N 385.295 0.111 30 10 GCEE CCc1nc(C(=O)N2C[C@@H](O)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282518626 GMDGMNKMAYGHCI-QWRGUYRKSA-N 382.291 0.572 30 10 GCEE CCn1cc(C(=O)N=c2nc(CN)[nH]s2)nc1B1OC(C)(C)C(C)(C)O1 2282530328 SBMZUFSIHVNLHF-UHFFFAOYSA-N 378.267 0.187 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@@H]4COC[C@H]4N3)ns2)OC1(C)C 2282605892 AKTJOZROWHOSCZ-NTZNESFSSA-N 379.291 0.549 30 10 GCEE CCN1CCO[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282616434 BFKHYUORNUJCCF-LBPRGKRZSA-N 381.307 0.893 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 2282830175 PXSCUBBZUYKFPB-KBPBESRZSA-N 383.275 0.020 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CC[C@@]3(N)C2)OC1(C)C 2282835588 WYEFXIYERBWCNZ-MEDUHNTESA-N 399.347 0.695 30 10 GCEE C=CCOCCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282848807 SAYOXDCBSNDKNY-UHFFFAOYSA-N 385.295 0.542 30 10 GCEE CC[C@](C)(CCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282849347 ZYRBFPZENQZAHG-MRXNPFEDSA-N 387.311 0.549 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CCOC2)C1 2282855628 HNXCKOJINMMQAE-UHFFFAOYSA-N 383.279 0.130 30 10 GCEE CC#CC[C@H](NC(=O)CCOCCOCCNC(=O)OC(C)(C)C)C(=O)O 2283447277 NTLJSLIJCQDNTK-AWEZNQCLSA-N 386.445 0.917 30 10 GCEE CC(C)[C@H](NC(N)=O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283988871 BYQDFNLUTPHVDR-NSHDSACASA-N 382.295 0.751 30 10 GCEE CC1(C)OB(c2nc(=NC(=O)COc3ccccc3O)s[nH]2)OC1(C)C 2283989672 QSZFQVGMKVFSSD-UHFFFAOYSA-N 377.231 0.982 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)s2)OC1(C)C 2284399666 NAXHXHFFNSROQP-IWIIMEHWSA-N 399.299 0.998 30 10 GCEE COCC[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284432699 CKSBKOLXDJBGJP-SNVBAGLBSA-N 384.263 0.970 30 10 GCEE C[C@@H](O)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284434040 UJUQCDMOVANLIB-KCJUWKMLSA-N 384.625 0.598 30 10 GCEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2284442279 MVTROHNQHSZQPZ-IJLUTSLNSA-N 387.263 0.569 30 10 GCEE CO[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284489800 DKBZXIWYJVJXMC-NXEZZACHSA-N 382.247 0.614 30 10 GCEE Cc1ccc(CNC(=O)CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2296188101 JOQUPRMOQFIBRA-UHFFFAOYSA-N 382.291 0.460 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC(CF)(CF)C(=O)O)OC1(C)C 2337405813 YDZAUFZCXFETMQ-UHFFFAOYSA-N 376.190 0.935 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1C[C@H](N)C#CC1[C@@H]2COC[C@@H]12 2341685794 LNLHBHKACQKZEL-VRKREXBASA-N 384.498 0.634 30 10 GCEE CCO[C@H]1CNCC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362499699 XXTSOQJGWKJUSO-STQMWFEESA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)OC1(C)C 2362561871 KEBWUCXIRUNQKL-SYEHKZFSSA-N 380.275 0.541 30 10 GCEE COCC[C@H]1CNCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362573587 NKOPQFSSEOFLQM-LBPRGKRZSA-N 381.307 0.893 30 10 GCEE 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CC/N=C(/NCC1(N2CCCCC2)CCN(C)CC1)N[C@@H]1CCC(=O)NC1 85127442 UETGDURPJXLKBB-QGZVFWFLSA-N 378.565 0.770 30 10 GCEE CN(C)CCCNC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 178999695 OLRUFGDABTUHRI-UHFFFAOYSA-N 386.456 0.996 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 282205838 GDEJOAFIYMFTNK-MRXNPFEDSA-N 398.460 0.623 30 10 GCEE CN(C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1)S(C)(=O)=O 285267726 JKKWGVKMGAMASA-GFCCVEGCSA-N 389.474 0.989 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 289238795 UTZVFIHEAWTFKA-INIZCTEOSA-N 383.452 0.820 30 10 GCEE CO[C@@H]1COC[C@H]1n1cc(C/N=C(/O)N2CCCC23CCN(C)CC3)nn1 329633158 SFRYIOIJTUEGHD-HZPDHXFCSA-N 378.477 0.839 30 10 GCEE CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 349539877 JAPHBMIWHKPZQJ-QVHKTLOISA-N 375.516 0.706 30 10 GCEE C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)[C@@]2(C#N)CCOC2)C1 349590557 MCQRXGWVUJXWEY-LSDHHAIUSA-N 393.531 0.382 30 10 GCEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 416544743 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382.398 0.790 30 10 GCEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 611546555 ONAKCHOOBODVEW-UHFFFAOYSA-N 378.454 0.777 30 10 GCEE CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 612217536 CUPMMCGZHVXQKI-UHFFFAOYSA-N 390.396 0.860 30 10 GCEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CCO[C@H](CNC(=O)NC)C1 624977524 MLJZTDMKWISMLN-RRFJBIMHSA-N 378.477 0.881 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)CC1 645448124 QLSLKNNNVCHLIS-UHFFFAOYSA-N 388.877 0.352 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)C1=O 656018445 BVUDTEUCULPUPO-IGQOVBAYSA-N 379.457 0.483 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCc2ccccc2)CC1 670744791 UUOCZJUTILEBIL-UHFFFAOYSA-N 386.496 0.572 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CCN1C1CC1 732706633 LZWAVZUSWPEQJZ-KRWDZBQOSA-N 379.424 0.464 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 733955479 RULOITSLQWAAOL-UHFFFAOYSA-N 392.253 0.525 30 10 GCEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765143776 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C[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)n1cnc(C#N)n1 798436038 DOIYSYIFDXTBOU-VIFPVBQESA-N 394.379 0.389 30 10 GCEE CC(=O)N1CCN(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 813949173 PIIULXKGXCDNQJ-UHFFFAOYSA-N 376.438 0.115 30 10 GCEE C#CCN(CC(=O)N[C@H](C)[C@@H]1CCCOC1)CC(=O)N[C@H](C)[C@@H]1CCCOC1 821792103 FYCSGHXRPLOFKB-NCXUSEDFSA-N 393.528 0.784 30 10 GCEE COC[C@@]1(C(=O)N2CCN(C(=O)CC#N)CC2)CCN(C(=O)OC(C)(C)C)C1 826953905 KUWHGZNBYJGNKG-LJQANCHMSA-N 394.472 0.844 30 10 GCEE CC(C)O[C@]1(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 835871297 CRVUCRJORHOLPN-QGZVFWFLSA-N 382.438 0.852 30 10 GCEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C#CC2CCNCC2)CC1 852812983 GAOJXRJQUPREGQ-UHFFFAOYSA-N 392.500 0.623 30 10 GCEE COC(=O)[C@@]1(OC)CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 859556634 CCTTVDXZKJXNNT-BFUOFWGJSA-N 384.392 0.776 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 860686911 WYUWWSAJIYEECH-CYBMUJFWSA-N 385.417 0.620 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C2([C@H]3CCCCO3)CCOCC2)CC1 873875196 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C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1=O 440261807 AFXWDAQKHHOBFW-GOEBONIOSA-N 384.436 0.474 30 10 GCEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 442411933 XWTHXHQCQGBFFT-OAHLLOKOSA-N 399.455 0.994 30 10 GCEE COCc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)no1 442465666 DGXHWFNRUPDAIZ-CYBMUJFWSA-N 389.343 0.765 30 10 GCEE Cc1nc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)n[nH]1 451372072 XAQGZFVTDAKKPH-UHFFFAOYSA-N 378.433 0.772 30 10 GCEE COc1cc(CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)ccc1C#N 460606426 MKDKPBUDFULOSA-UHFFFAOYSA-N 393.403 0.751 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc3ccccc3c2)CC1 491053332 SJOBCHDBWXBLIR-UHFFFAOYSA-N 381.436 0.620 30 10 GCEE CN1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC1=O 513195094 XINVXZGYZPPGLC-LLVKDONJSA-N 384.371 0.559 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 522415357 DASHETFPLKMXTQ-UHFFFAOYSA-N 382.442 0.512 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCCOc3ccc(F)c(F)c3)C2)c(=O)nc1O 527728126 HNRSLNQDDCJUNC-UHFFFAOYSA-N 391.334 0.744 30 10 GCEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)C1CCOCC1 544834399 BIHKDOGWBUFVFG-AWEZNQCLSA-N 392.481 0.584 30 10 GCEE C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560190187 BUOJYDFFPJKQMJ-UHFFFAOYSA-N 385.174 0.714 30 10 GCEE COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)s[nH]2)c1 592299018 BOCUWRWRJGKNRB-KRWDZBQOSA-N 387.421 0.451 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 592308612 MIRYUWQBEIXUQI-ZDUSSCGKSA-N 387.440 0.474 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)CCO)c1 594631292 LBSZWZWBGMZMDI-RYUDHWBXSA-N 375.472 0.268 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1 594635351 OASIWKMRVHCLFR-UHFFFAOYSA-N 387.483 0.678 30 10 GCEE N#CCCSc1ccccc1NC(=O)C(=O)NC[C@]1(OCCO)CCOC1 595127056 YWOCXNKMXYNYSY-GOSISDBHSA-N 393.465 0.915 30 10 GCEE CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595171556 QHJIEHSRSDYVID-UHFFFAOYSA-N 387.469 0.446 30 10 GCEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 595389179 MHOJQAKHFIIJOP-VIFPVBQESA-N 378.501 0.232 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC(CCC(=O)O)CC3)CC2)nc1 595977925 PCNMUUJLRSUXBY-UHFFFAOYSA-N 399.451 0.705 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCn4c(O)nnc4C3)C2=O)cc1 596582751 JAFWWURPHRAFFI-AWEZNQCLSA-N 381.396 0.182 30 10 GCEE N#C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CCN1Cc1ccccc1 597241006 BTRWREQOYANYFI-KRWDZBQOSA-N 381.440 0.415 30 10 GCEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 601425817 HZRYSVCVRPZLMX-UHFFFAOYSA-N 392.463 0.694 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 613537704 ILSGJMUAJBBWOY-KRWDZBQOSA-N 396.513 0.936 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1=O 621176455 JVVSPAFUHZEXJP-AWEZNQCLSA-N 393.403 0.953 30 10 GCEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 643835224 LNXVODWWIFSPMQ-MRXNPFEDSA-N 376.505 0.958 30 10 GCEE C=C(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 643841313 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C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 783482586 YNDMMGAIFNNACV-LBPRGKRZSA-N 396.396 0.200 30 10 GCEE C=CCN(C(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O)C(C)C 817115121 OJYKCECNSJTNDY-CVEARBPZSA-N 387.436 0.952 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C1 832766030 WMUHPOWTRQBGKM-GJZGRUSLSA-N 392.481 0.752 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 841475705 PQPGVFFSDPLKOY-UHFFFAOYSA-N 380.426 0.142 30 10 GCEE N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CCO2)c1 844767586 ADZXYWZNKPXFDP-MRXNPFEDSA-N 381.392 0.811 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCN(C(=O)OC)C1 845846257 DYKMVJGMSBTNNA-LBPRGKRZSA-N 381.410 0.854 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 846281845 JXBPIKOFIOBVDB-OAHLLOKOSA-N 393.465 0.086 30 10 GCEE C#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 848954701 MKERWVLHQBEOKG-INIZCTEOSA-N 397.478 0.243 30 10 GCEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c1 851040345 IHOUEBCUIXRKCM-PWSUYJOCSA-N 393.343 0.742 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cccnc1 855492813 SOMCRDMPKFANPF-UHFFFAOYSA-N 381.454 0.554 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCc2c(C(=O)OC)ccc(OC)c2C1 875600534 AGAAHHGKTREBTQ-CYBMUJFWSA-N 388.420 0.521 30 10 GCEE C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 876550920 HOAYGQQKGBQEFH-HNNXBMFYSA-N 387.889 0.998 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccn2)C2CCC2)CC1 895976931 WJUJPMVHZZZYDU-KRWDZBQOSA-N 391.497 0.718 30 10 GCEE C#CCCCc1nnc(N2CCN(c3nccnn3)CC2)n1C[C@@H]1CCOC1 910142688 QZYNODUUZMZPCW-INIZCTEOSA-N 382.472 0.782 30 10 GCEE Cn1cnc2c1c(=O)n(CCCOC(=O)/C=C\c1ccccc1C#N)c(=O)n2C 913287068 SBIRRKRCDXDDDM-HJWRWDBZSA-N 393.403 0.952 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 917925372 DPFYRBCWICIMGP-OAHLLOKOSA-N 396.490 0.390 30 10 GCEE C#CCN1CCC(NC(=O)[C@H](C)[C@@H](C)C(=O)NC2CCN(CC#C)CC2)CC1 928652742 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C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1(O)CNC1 2267729112 FWUDLNBHUPVQGW-SNVBAGLBSA-N 388.320 0.048 30 10 GCEE CO[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269040581 OLAIVGBKTVXWJO-VIFPVBQESA-N 391.276 0.425 30 10 GCEE CN1CCC(C#N)(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)CC1 2280081175 ALPKCVBETZVEIS-QWRGUYRKSA-N 394.394 0.907 30 10 GCEE Cc1c(C(=O)NCCc2nncs2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800311 HGZLFQBEODVSHJ-UHFFFAOYSA-N 377.279 0.852 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)co2)OC1(C)C 2281823512 PJHMGOMYBSZVLR-GFCCVEGCSA-N 384.263 0.472 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2C[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281924744 AZVNWYPKYJJNFF-PHIMTYICSA-N 383.279 0.262 30 10 GCEE CC1(C)OB(c2ccccc2C(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2281941236 BKPJHZMZUFAXLY-NHAGDIPZSA-N 377.271 0.759 30 10 GCEE CO[C@@H]1C[C@H](CO)N(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C1 2281970065 DLMZYINUZJGTTH-VXGBXAGGSA-N 382.291 0.973 30 10 GCEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCS(=O)(=O)C1 2281982160 LDOYKLDPEFIGFY-QWRGUYRKSA-N 383.279 0.262 30 10 GCEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H](O)C(F)(F)F 2282036116 DTZSCGPPDDIQMS-WPRPVWTQSA-N 377.172 0.761 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1cnsc1 2282339072 RKWCDWJPOZGPJQ-UHFFFAOYSA-N 398.319 0.697 30 10 GCEE C[C@H](c1nn[nH]n1)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339556 YRHLAJOCMNIAMJ-SECBINFHSA-N 399.307 0.942 30 10 GCEE CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282344333 VQBJEUADTUPBHK-TXEJJXNPSA-N 385.295 0.111 30 10 GCEE C[S@@](=O)C1CN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282500151 VVJWHIRZQPBMML-RUZDIDTESA-N 399.343 0.878 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCC#N)C2CC2)n1 2282500463 YJLRURDMPSZMFO-UHFFFAOYSA-N 380.279 0.786 30 10 GCEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@@](C)(O)CO2)OC1(C)C 2282502467 LPLVPBNYDCBKDH-MRXNPFEDSA-N 387.238 0.812 30 10 GCEE CC[S@@](C)(=O)=NCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282583484 KFRVNUDAVUSEHB-AREMUKBSSA-N 384.311 0.567 30 10 GCEE COCCNC(=O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282585119 YYAPDLZURSPREI-UHFFFAOYSA-N 382.291 0.848 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@@]23CC[C@@H](C2)C(=O)N3)OC1(C)C 2282623237 CWDOMDWJIWCYJR-DYZYQPBXSA-N 377.275 0.841 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3CCOC[C@@H]3[C@H](O)CO)s2)OC1(C)C 2282629926 BFZWMBDODXELOH-VXGBXAGGSA-N 383.275 0.242 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282831966 HIRBPYYYZWTOIA-LBPRGKRZSA-N 384.311 0.092 30 10 GCEE CN(CCCCCO)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282839271 BANCXKRFKHYGEL-UHFFFAOYSA-N 387.311 0.502 30 10 GCEE CC[C@H](C(F)F)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282840820 PVMFYUGZLMEHIF-SECBINFHSA-N 394.253 0.779 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCn2ccnn2)OC1(C)C 2282843856 TWEFWEVGQXWVOL-UHFFFAOYSA-N 378.263 0.556 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(C)CC(N)C2)n1 2282844747 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Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)C2)n1 372320030 ZDQBLCOSMPLVOO-WBVHZDCISA-N 385.468 0.530 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 374124037 ZMMSRXGGWWFEIU-BJJXKVORSA-N 377.466 0.890 30 10 GCEE O=S(=O)(NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cncc(C#CCO)c1 398342378 VTLOCZNDQGSQRV-RTBURBONSA-N 383.473 0.834 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](N)[C@H]4C3)CC2)n1 423423925 DZGWUZSTFLSGSL-XIRDDKMYSA-N 382.468 0.188 30 10 GCEE C=CCn1cc(CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)nn1 425460708 SQCRJQIKPZBFNA-UHFFFAOYSA-N 375.477 0.208 30 10 GCEE COC(=O)c1cn([C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)nn1 480725638 ZBLBVGLEADSMLK-ZDUSSCGKSA-N 393.400 0.852 30 10 GCEE C=CCn1c(-c2ccccn2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508730384 OOCUPPIVSLDLCQ-UHFFFAOYSA-N 378.440 0.946 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H](N)[C@H]3C2)CC1 520394226 VRUKRDVNXBJSAB-ULQDDVLXSA-N 382.468 0.188 30 10 GCEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1C#N 528048711 UMWZMBYDHWZKEA-UHFFFAOYSA-N 377.470 0.198 30 10 GCEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)C2)c(=O)nc1O 530268093 SINSBRMWUFDQEH-ZDUSSCGKSA-N 383.339 0.469 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NCC2CC(F)(F)C2)c1 567291042 RZHPYGWBPMMFAG-UHFFFAOYSA-N 379.410 0.812 30 10 GCEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](CO)c2ccsc2)n1 572533433 IUHWJSFYGWONMF-ZDUSSCGKSA-N 382.405 0.989 30 10 GCEE CN(CC(F)F)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 575816711 VIXVDENBTHCAOC-UHFFFAOYSA-N 379.410 0.907 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@H]1O 579613880 HHDJPMWMLZKHCF-QWHCGFSZSA-N 387.483 0.270 30 10 GCEE N#Cc1cccc(C(=O)NCCNC(=O)N2CCN(c3ncccn3)CC2)c1 586436922 GTGXDSIKJPAHMB-UHFFFAOYSA-N 379.424 0.610 30 10 GCEE CCCN1C[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1=O 593608546 LCRWOTRIGPTODQ-ZDUSSCGKSA-N 379.438 0.882 30 10 GCEE N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@]2(CCCOC2)C1 594638770 SNYMZHKTADGCSI-AWEZNQCLSA-N 379.504 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381.234 0.754 30 10 GCEE C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 832800979 IFSULOZNCJROCY-GOSISDBHSA-N 392.433 0.053 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)C1 847564466 ZODVRGQBOVEBNZ-RBZFPXEDSA-N 382.420 0.894 30 10 GCEE CON(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 848956342 PHEFTQWZGTVQFH-AWEZNQCLSA-N 389.455 0.172 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2CCC[C@H](C)O2)n1 850661721 BDAJNKOTWYJGSW-RDJZCZTQSA-N 376.457 0.565 30 10 GCEE C#C[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 854766026 NJBYHNCBYUJBHB-LLVKDONJSA-N 375.244 0.228 30 10 GCEE C#C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 854766259 WQFSRZQJOOVOCO-DOMZBBRYSA-N 381.410 0.248 30 10 GCEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](C#N)CO)C1=O 854870507 ICGBHXFXMOAQED-NHYWBVRUSA-N 395.213 0.217 30 10 GCEE C#CC[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 854909664 FDRLDUSUEYZGHW-OAHLLOKOSA-N 394.387 0.511 30 10 GCEE 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390.488 0.775 30 10 GCEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O)C1CC1 1301326494 AWTFJQWRDKSOQL-CQSZACIVSA-N 399.517 0.537 30 10 GCEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COCCO1 1302286402 HQGKGBNFXJWUSR-KRXQYRFLSA-N 395.435 0.859 30 10 GCEE COC(=O)CC1(NC(=O)c2ncc(C#N)cc2Cl)CCS(=O)(=O)CC1 1320599618 GKTOEOZNIBFHNK-UHFFFAOYSA-N 385.829 0.847 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC1CCC(C#N)CC1 1324853697 KBNVHGVOZFQYDG-WUCCLRPBSA-N 384.502 0.267 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](CC)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1329716328 DNJNMIJDYKLJKR-HOCLYGCPSA-N 392.477 0.911 30 10 GCEE C#CCOc1ccccc1CNC(=O)C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1333871254 LOBACBQVTUUMRE-NRFANRHFSA-N 396.447 0.870 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1337368345 JSIXAHGNXLUYGD-AWEZNQCLSA-N 390.465 0.819 30 10 GCEE CC(=O)N1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1337953346 IBVRFDTVKWTXBK-UHFFFAOYSA-N 381.396 0.158 30 10 GCEE 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CCN1CCC(CCN/C(=N/C)N2CCN(c3nccn(C)c3=O)CC2)CC1 262789112 NMQYRWSJHXQNQJ-UHFFFAOYSA-N 389.548 0.600 30 10 GCEE C#CCN(CC#C)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 267752029 MOGDXHQEPHZSDM-QGZVFWFLSA-N 375.406 0.007 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 268425945 XKFFZFHKWBITNZ-UHFFFAOYSA-N 384.479 0.247 30 10 GCEE C#CCC(CC#C)C(=O)NCCC(=O)N1CCN(C(=O)C(CC#C)CC#C)CC1 288459673 MCJBFNGKEITMIG-UHFFFAOYSA-N 393.487 0.489 30 10 GCEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(CCOCC2)C1 349482432 RPQMXTCPQDGSLY-UHFFFAOYSA-N 385.467 0.290 30 10 GCEE CN(C)S(=O)(=O)n1ccnc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 365619579 JKRHDYYTKXFYCB-MRXNPFEDSA-N 375.454 0.983 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 370310432 YSNLEKBHYZRMIS-INIZCTEOSA-N 386.518 0.864 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 377760902 AWFOSQWOWUYGOX-UHFFFAOYSA-N 386.499 0.370 30 10 GCEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(N)=O)C(=O)C1 414526364 KGUIAWVBOVYXCW-UHFFFAOYSA-N 398.467 0.392 30 10 GCEE Cc1cc(N2CCC[C@@H](N3CCN(c4nccnc4C#N)CC3)C2=O)n(C)n1 505823062 BNFXVRGLFFOLBT-MRXNPFEDSA-N 380.456 0.708 30 10 GCEE CN(C)c1nc(CS(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)ns1 510262268 RUCVESHZMQKVNM-GFCCVEGCSA-N 382.467 0.830 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1 518891352 ZKQKWCOHNCXDNP-WMZOPIPTSA-N 393.532 0.653 30 10 GCEE CC[C@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c1 521899150 LFKPIQCHSWMINN-QWHCGFSZSA-N 389.499 0.611 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCC2(C(=O)N(C)C)CCCC2)CC1 524466849 IEXYGNDESBYNIP-UHFFFAOYSA-N 379.505 0.264 30 10 GCEE COC(=O)[C@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCSC1 534786341 WRHFFZOTRJFXHS-INIZCTEOSA-N 397.478 0.575 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccon2)CC1 541673426 WCORVAOFUZLMBQ-UHFFFAOYSA-N 389.393 0.018 30 10 GCEE CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 545197812 FRJSOJSCASXELG-CYBMUJFWSA-N 375.414 0.294 30 10 GCEE C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 548720434 FWMRXMQDXLCPKE-DYESRHJHSA-N 394.431 0.388 30 10 GCEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 555212250 DOLZKWHNVFGPTL-QWHCGFSZSA-N 376.442 0.584 30 10 GCEE CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 557489560 SMDQZHPQKOUFKA-UHFFFAOYSA-N 376.482 0.733 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2CC(=C)C)CC1 559011967 XNWKYNWHPUMUPU-MRXNPFEDSA-N 390.488 0.366 30 10 GCEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)C2CC2)c1 568255089 FKKHEIDOUJBAAZ-TZMCWYRMSA-N 399.494 0.507 30 10 GCEE C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CS1 576240701 GLRNEQXTKZODLW-WDEREUQCSA-N 375.497 0.661 30 10 GCEE C[C@H](NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1)c1cccc(C#N)c1 587706066 UTFAENJRPQEXTG-HNNXBMFYSA-N 380.452 0.813 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCc4ccc(O)cc4C3)CC2)n1 590978509 DYOVMECWYBJLOP-UHFFFAOYSA-N 391.431 0.892 30 10 GCEE Cc1cccc(NC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1C#N 592302222 KJQIMNOQXOUIBW-QGZVFWFLSA-N 377.422 0.221 30 10 GCEE CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1 592342906 OXYOGTAXFVCVCW-HXUWFJFHSA-N 397.523 0.996 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1 593578512 UKHHFAKRFPHKKT-ZDUSSCGKSA-N 392.437 0.569 30 10 GCEE CN(C)CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1=O 593784217 KEHTZTQSTDDGJV-UHFFFAOYSA-N 385.468 0.899 30 10 GCEE CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 594616410 BFWWMNAUWILWSO-DANNLKNASA-N 399.494 0.532 30 10 GCEE N#CC1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCn4nccc43)c2)C1 594631590 NKMWUUBPVNYKNT-UHFFFAOYSA-N 393.450 0.236 30 10 GCEE Cc1cn(C)nc1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 594996761 ZTOCTMBSEJEUBE-UHFFFAOYSA-N 382.424 1.440 30 10 GCEE CNC(=O)Cn1nc(NC(=O)C(=O)NC(C)(C)c2cccc(C#N)c2)cc1C 595110145 HJGNDJQLWAHXHS-UHFFFAOYSA-N 382.424 0.799 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCc3nccnc3C2)CC1 595215835 AZHBZDSVDRDSNI-UHFFFAOYSA-N 382.449 0.643 30 10 GCEE 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C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@H]2C)c1 848955305 UPZDUDGNLTWRFZ-ZIAGYGMSSA-N 381.479 0.863 30 10 GCEE C#C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 848956105 NAQFTYPORLESSY-XJKSGUPXSA-N 397.478 0.290 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 851012990 QCLNIENFEMGIMM-CQSZACIVSA-N 397.428 0.986 30 10 GCEE C#C[C@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CCOCC1 856107558 PVTBMKQFBZSISX-KRWDZBQOSA-N 385.468 0.450 30 10 GCEE C#C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C#C)C2CCOCC2)[nH]n1)C1CCOCC1 856119150 INPRIMUPSZZAHK-CALCHBBNSA-N 398.463 0.726 30 10 GCEE C#CCN(c1nnc(-c2cn[nH]c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 859139930 KEGXPKDUQMCWDW-HIFRSBDPSA-N 390.469 0.331 30 10 GCEE C[C@@H](OC(=O)c1cc(I)nn1C)C(=O)N(C)CCC#N 869844053 IGGXBIQMRQQZJM-MRVPVSSYSA-N 390.181 0.942 30 10 GCEE C#CCN1CCN(C(=O)CN2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)CC1 879268854 HOLRFEPJSSCBLT-OALUTQOASA-N 383.496 0.268 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC[C@@H]1OC 909232773 XIPSRBGFEQCNDB-ILXRZTDVSA-N 384.502 0.996 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)s1 922813978 TWYTYLXKWFZJRP-CYBMUJFWSA-N 397.522 0.882 30 10 GCEE C#CCN1CCC[C@H](NC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)C1 923560582 YACABZOKPQNEHE-ZDUSSCGKSA-N 384.436 0.778 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CC(C)(C)OC2(C)C)CC1 932942514 HTCJKJPHOUGUDY-OAHLLOKOSA-N 394.516 0.143 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1117576654 KGLQKGYNGWVPJH-IRXDYDNUSA-N 392.477 0.529 30 10 GCEE C#CCN(C(=O)C(=O)NCc1ncccc1S(C)(=O)=O)C1CCCCC1 1117618164 DHWOAPXXNVHLCD-UHFFFAOYSA-N 377.466 0.896 30 10 GCEE Cn1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)c(Cl)n1 1118828380 YRVKWYIUYTUJFG-SNVBAGLBSA-N 375.841 0.360 30 10 GCEE C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCO[C@@](C)(C(=O)OCC)C1 1121676182 PAPRKZRTNNNIKA-SCLBCKFNSA-N 377.445 0.616 30 10 GCEE C=C(C)Cn1c(C2=NO[C@H](CO)C2)nnc1N1CCO[C@@H](CCCN(C)C)C1 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30 10 GCEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1340224669 VFXVPNYRRZCFSX-JKSUJKDBSA-N 388.520 0.948 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N[C@H]2C)nnc1N1CCN(c2cccnn2)CC1 1340249709 HKTXXSHCDKLVFF-LSDHHAIUSA-N 382.472 0.963 30 10 GCEE C=C(C)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1341837884 GPNKWEDKAGBVTD-RDTXWAMCSA-N 378.477 0.654 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1342171805 WOOFMOFDGBHRMK-UKRRQHHQSA-N 392.529 0.685 30 10 GCEE C=C(C)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(C)CCC(=O)NC1 1342968023 SOZACUNUATZLRC-GOSISDBHSA-N 376.461 0.910 30 10 GCEE C=C(C)Cn1c(CC[C@@]2(C)NC(=O)NC2=O)nnc1N1CCCN(CC)CC1 1343290338 XUPXVTQBRYXALP-LJQANCHMSA-N 389.504 0.917 30 10 GCEE C#CCOCCn1nnnc1N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1344583462 JZNIFGUXHBLFRO-XUXIUFHCSA-N 398.389 0.558 30 10 GCEE C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1345902865 XIOYMBAOHLPVFZ-OAHLLOKOSA-N 399.503 0.393 30 10 GCEE 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0.787 30 10 GCEE Cn1cc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282043455 NJHZWYLZGAGOHC-DYTRLKRPSA-N 383.194 0.185 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(OC(F)(F)F)C1 2282183676 JIUKSGDIJDYWFH-UHFFFAOYSA-N 376.144 0.475 30 10 GCEE C[C@@H]1CCC=C[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282325328 DANPETVWYQXSOW-NEPJUHHUSA-N 382.295 0.747 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCCO1 2282345589 QBDMPFLGTKHRFU-GFCCVEGCSA-N 385.295 0.567 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NCCc3cocn3)c2)OC1(C)C 2282348645 NNJPLSZGQXQUAY-UHFFFAOYSA-N 379.247 0.890 30 10 GCEE CN1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2282420149 VIGQQIOZEDBHRU-CHWSQXEVSA-N 399.347 0.660 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC(C)(CO)CO 2282503949 HXRUHKMMBZWEMU-UHFFFAOYSA-N 385.291 0.316 30 10 GCEE Cn1nc(C(=O)N2C[C@H]3[C@@H](O)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282542249 HVOICCXLVQFGNH-AXFHLTTASA-N 381.669 0.826 30 10 GCEE Cc1nn(C)c(C(=O)NCC[C@H](C)[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282580156 OZFBFSYTOKVIDA-LJZMDLFKSA-N 383.323 0.915 30 10 GCEE Cc1cc(C(=O)N2CCNC[C@@H]2C(N)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282607701 YXKITNAHVCWRHT-GFCCVEGCSA-N 379.291 0.255 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CC(F)(F)F)n1 2282617046 HLLMMWVRAVYSGP-MRVPVSSYSA-N 378.160 0.157 30 10 GCEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(S(C)(=O)=O)C1 2282694151 FSZZETDROPKYQI-UHFFFAOYSA-N 382.291 0.676 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CNC[C@H]3C2)OC1(C)C 2282838452 ORYUEWNRZVUKFO-RYUDHWBXSA-N 399.347 0.423 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3ncon3)cc2F)OC1(C)C 2282842317 WJFXFSIBICJCGS-UHFFFAOYSA-N 383.210 0.986 30 10 GCEE CC(=O)NCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282845378 RMSFHGIIVXMALS-UHFFFAOYSA-N 386.254 0.539 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)NCC3(N)COC3)c2)OC1(C)C 2282845728 YIRPRDWUFVMTPB-UHFFFAOYSA-N 382.291 0.133 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3[C@H]4CN[C@H]3C4)c2)OC1(C)C 2282845822 ZOZRILOWYMDWEI-KCXAZCMYSA-N 378.303 0.872 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@](C)(CO)C(=O)O)cc2)OC1(C)C 2284402390 IUFYWRZBCVPTCV-MRXNPFEDSA-N 385.247 0.100 30 10 GCEE CO[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284424882 OHANYUPULGOTIV-LLVKDONJSA-N 384.625 0.864 30 10 GCEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@H](C(=O)O)C3CS(=O)(=O)C3)C2)OC1(C)C 2284461015 JQMMTXCKAVOCNS-DLOVCJGASA-N 387.263 0.473 30 10 GCEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 2339671187 FBJHAQFWYCCVPD-HUUCEWRRSA-N 387.546 0.952 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H]([C@H](N)C#CC3(S(C)(=O)=O)CC3)[C@@H]2C1 2342031885 HSQFOTBKEYYYFU-YJNKXOJESA-N 384.498 0.776 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CO[C@H](C1)[C@@H](N)C2 2359266168 HWEPYVIDNLAAAY-RVPKQNPDSA-N 379.291 0.739 30 10 GCEE Cc1cc(C(=O)NCCS(=O)(=O)CCO)oc1B1OC(C)(C)C(C)(C)O1 2360916595 IKYZKTULPLYQSB-UHFFFAOYSA-N 387.263 0.024 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2C[C@H](C(=O)O)CO2)OC1(C)C 2362497602 WCGCQXBWUJZVNL-VHSXEESVSA-N 382.247 0.662 30 10 GCEE Cn1cc(C#C[C@H](N)[C@]2(O)CN(C(=O)OC(C)(C)C)[C@]3(CCOC3)C2)cn1 2366037999 SNADRNYXDUEYQO-KFKAGJAMSA-N 376.457 0.630 30 10 GCEE Cn1nccc1C#C[C@H](OCCN)c1cc(I)nn1C 2367852434 HTGQXDVZZWGVKH-LBPRGKRZSA-N 385.209 0.826 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2377345774 FKURYVSZQZMQMM-IFXJQAMLSA-N 382.457 0.566 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 32275125 KJJZANRNXWYELV-UHFFFAOYSA-N 397.479 0.541 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)N1CCCN(Cc2noc(C3CC3)n2)CC1 106150475 XHMUULJCSWPZQV-ZDUSSCGKSA-N 376.461 0.855 30 10 GCEE C[C@@H]1C(=O)NCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 253309222 BWCWTEVARKKFIZ-HUUCEWRRSA-N 375.498 0.667 30 10 GCEE C/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCC[C@@]2(CNC(=O)C2)C1 261655055 AIWXCVYLCQFVEC-HXUWFJFHSA-N 383.452 0.460 30 10 GCEE C/N=C(/NCCN1C(=O)CNC1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 261818809 UFWDRNQOCQBTIK-LLVKDONJSA-N 379.852 0.031 30 10 GCEE Cc1nc(C/C(N)=N/OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cs1 267381848 GIYZZFXXIZZNHL-HNNXBMFYSA-N 383.518 0.756 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)c(F)c1 287814874 KKBSXCGMERCDOX-UHFFFAOYSA-N 399.419 0.672 30 10 GCEE CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]1C1CC1 349471882 VTXKOLAGJDZICZ-INIZCTEOSA-N 398.510 0.923 30 10 GCEE C[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N 349484116 XHRCDVOTEGLACF-NEPJUHHUSA-N 375.472 0.220 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@]3(CCNC3)C2)n1 415727869 RDIVDCFLPFNCOD-FQEVSTJZSA-N 396.426 1.424 30 10 GCEE COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 426683484 SGFUUCKOLUJFHI-AWEZNQCLSA-N 397.439 0.644 30 10 GCEE CN(C)c1ccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 434449001 UNGISFACOBHUQV-UHFFFAOYSA-N 390.407 1.236 30 10 GCEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2ncc(C#N)cc2[N+](=O)[O-])C1 450479889 ROQWBHKAXSZXTK-ZDUSSCGKSA-N 383.430 0.738 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 451706989 HLRLCCZYBVGBHE-SJORKVTESA-N 385.461 0.893 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 459884654 JXOHBILAHXVZIX-INIZCTEOSA-N 397.357 0.128 30 10 GCEE CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 462390080 AZCOTIURLHNBPO-UHFFFAOYSA-N 395.462 0.824 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(C(F)F)c2)CC1 467489490 HHBWMGSDHJFQDS-UHFFFAOYSA-N 375.339 0.832 30 10 GCEE CCN(CC)CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 467501175 HMSXJOPWNZIUJH-UONOGXRCSA-N 382.490 0.068 30 10 GCEE C[C@@H]1CCCN(C[C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 481855089 UCSUUDMQVFZGTJ-IAGOWNOFSA-N 398.511 0.838 30 10 GCEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F 487380890 SUVCQTVSUBMCPW-IUCAKERBSA-N 389.380 0.571 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(CCO)CCOC3)C2=O)cc1 488244558 CURNRXKARVKJMC-FXAWDEMLSA-N 386.452 0.747 30 10 GCEE Cc1ncc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C#N 489897777 IMSISKMWLUTCCJ-CYBMUJFWSA-N 398.510 0.744 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)n1 515050734 KFPGHNULDCFBJT-YWZLYKJASA-N 399.451 0.056 30 10 GCEE N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 516584330 WFCNSBXQDBJRMY-UHFFFAOYSA-N 382.467 0.945 30 10 GCEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccccn4)C3)C2)c(=O)nc1O 527829406 UUWALNSJWDXUGM-ZDUSSCGKSA-N 381.396 0.061 30 10 GCEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C1=O 542693190 ZENXDIDOMGGJCQ-CQSZACIVSA-N 384.479 0.424 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n(CCC#N)n1 545493620 ISIAYUHBTBTEDE-UHFFFAOYSA-N 392.423 0.659 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 555257584 VJQDMUHGOLSRMI-CABCVRRESA-N 399.517 0.660 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCOC2)c1 572378562 JCTUFSKLDOUUDX-ZDUSSCGKSA-N 387.483 0.536 30 10 GCEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC#N)cc1 582797755 YPXNVGYXMIXBKT-ZDUSSCGKSA-N 387.483 0.436 30 10 GCEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 584665282 HAQUZPXPAGBLPF-GFCCVEGCSA-N 385.467 0.236 30 10 GCEE COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C1 593545222 ZJZKKAAGQUOYRU-CQSZACIVSA-N 381.454 0.734 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC(O)(C(=O)OC)CC1 593571943 JZVOTGICDWDYAB-UHFFFAOYSA-N 382.394 0.033 30 10 GCEE COC(=O)C[C@@]1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CCOC1 593577333 HJJFTTOZFQFBQJ-INIZCTEOSA-N 382.394 0.345 30 10 GCEE C=CCCn1cc(C[S@](=O)CC(=O)N[C@H](C)C(=O)N2CCCCC2)nn1 593939052 UUIMUOUFCNOUAU-PTFIGZPYSA-N 381.502 0.620 30 10 GCEE Cc1ccc(N(C)S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)nc1 595964701 LYXWZQZWLBSPIM-UHFFFAOYSA-N 386.499 0.721 30 10 GCEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 600101624 DUBKDWHAJKZFAW-GFCCVEGCSA-N 398.872 0.938 30 10 GCEE CN(CCC#N)C(=O)CCN1CCN(c2ccccc2S(N)(=O)=O)CC1 615456145 DGUSNCJSAYTKSS-UHFFFAOYSA-N 379.486 0.218 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)COc2c(F)cccc2F)C1=O 618167763 XPOQQGNJYFAYEE-SNVBAGLBSA-N 381.335 0.825 30 10 GCEE C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 632380305 WQWZEOLOWMRRKW-UHFFFAOYSA-N 394.516 0.098 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)NCC(C)(C)C(=O)N2CCCC2)CC1 636676093 DMPFCELJSCGXIC-UHFFFAOYSA-N 378.517 0.908 30 10 GCEE CC#CCNCc1cn(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)nn1 640985616 KUMVDNLREGMEEW-UHFFFAOYSA-N 394.479 0.812 30 10 GCEE C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 647371135 LGMUPKHADPRILB-HUUCEWRRSA-N 385.472 0.777 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 669105737 PSLUJMPQBNNMMX-MRXNPFEDSA-N 397.501 0.160 30 10 GCEE C#CCN(C[C@@H](O)COc1cccc(C(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 749283546 FOENMVSYLXOMMQ-DLBZAZTESA-N 395.477 0.725 30 10 GCEE CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 751327758 YARIZYITMLRRBI-CQSZACIVSA-N 375.454 0.994 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nsc(N(C)C)n1 771380773 HJXIGHFOAIRKED-JTQLQIEISA-N 395.466 0.886 30 10 GCEE C#CCN(C(=O)NCc1n[nH]cc1Br)[C@H]1CCS(=O)(=O)C1 774223726 UTJCAWLNHVRXLX-VIFPVBQESA-N 375.248 0.504 30 10 GCEE CCOC(=O)N1CCC(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780207184 VNYBLAWKAFCQQZ-KRWDZBQOSA-N 389.408 0.872 30 10 GCEE C#CCCCCCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 780344991 ZLJBCYWDAWBKQQ-UHFFFAOYSA-N 388.468 0.665 30 10 GCEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCC(C)(C)C#N)ncnc1-2 781935700 SRPQXNNODWDFCD-UHFFFAOYSA-N 395.265 0.760 30 10 GCEE Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798742885 WIXJQQLJCCCYCG-CYBMUJFWSA-N 384.396 0.660 30 10 GCEE C#CCC(CC#C)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 803697922 XKVRDIDCYLBTJU-ZDUSSCGKSA-N 388.445 0.818 30 10 GCEE C#CCC(CC#C)C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 803700406 OKHXQTJNKAXNES-IRXDYDNUSA-N 395.477 0.387 30 10 GCEE N#Cc1ncn(CCNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n1 804622658 KOAZAFJPUZEBPB-SFHVURJKSA-N 384.396 0.351 30 10 GCEE N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 805061764 MPPHJLSEXYBKAT-CVEARBPZSA-N 390.440 0.035 30 10 GCEE 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Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCOc1ccc(C#N)cc1 571367662 CTXHCUYSVFHHMJ-UHFFFAOYSA-N 378.410 0.637 30 10 GCEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cnc(C)s2)c1=O 588524379 RZQVJBHPBYEVNR-LBPRGKRZSA-N 387.486 0.969 30 10 GCEE N#CCCN(C(=O)CN1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 592153667 HKYBOHZNGRBKES-SFHVURJKSA-N 377.466 0.823 30 10 GCEE CN1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(=O)N1 592783180 LYKQSYGGIKMQKI-GFCCVEGCSA-N 378.230 0.218 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(N(C)C)nn1 594955000 JUNAFAIFQAYITR-UHFFFAOYSA-N 394.439 0.405 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H]4COC[C@@H]4C3)n2)cc1 595196612 FFHDDIMGRPWIKR-CVEARBPZSA-N 380.408 0.631 30 10 GCEE Cc1cc(N2CCO[C@H]([C@H](C)O)C2)c(C#N)c(N2CCO[C@@H]([C@@H](C)O)C2)n1 596280515 XZZZRZDVKXPFEF-IHETXDGRSA-N 376.457 0.434 30 10 GCEE C[C@@H]1CC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CS1(=O)=O 596802977 ZNVKASWNSNRSPB-HIFRSBDPSA-N 377.470 0.751 30 10 GCEE CS(=O)(=O)NC[C@H]1COCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 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C=CCNC(=O)CN1CCN(C(=O)c2cnc(C3(C)OCCO3)s2)CC1 858213089 DOKIHJKYLHDNTD-UHFFFAOYSA-N 380.470 0.423 30 10 GCEE CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 858558452 RAXJHSYPXFYUIG-SNVBAGLBSA-N 386.861 0.725 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 862200000 UGXLFCLHOGEIBC-AWEZNQCLSA-N 395.481 0.856 30 10 GCEE CCOC(=O)c1cccc(C=NNC(=S)NCCCN2CCOCC2)n1 863068462 DKAZJXJNFSIAAP-UHFFFAOYSA-N 379.486 0.779 30 10 GCEE CN(C)c1nc(Cl)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 863935516 ZDIMBYJWOHEOHC-UHFFFAOYSA-N 380.817 0.694 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 875070718 HIIRPVCKEUUSMX-ROUUACIJSA-N 386.496 0.468 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 875600810 UWKXEJHRSBQNJV-ZWKOTPCHSA-N 378.517 0.160 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)CC1 876150940 PDJJYWUPFCRRNO-INIZCTEOSA-N 380.489 0.202 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 884121943 CPDYYTBOCXETMZ-HNNXBMFYSA-N 381.379 0.696 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 884197547 WVUQKRPPEIBWMP-ZWKOTPCHSA-N 375.469 0.931 30 10 GCEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 906845472 MGIQRRACECONJU-UHFFFAOYSA-N 375.450 0.123 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccnn2CC2CCC2)CC1 913872795 TWBLRTOPQDZBKC-UHFFFAOYSA-N 381.502 0.292 30 10 GCEE C=CCNC(=O)CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 914335096 KHJCRMQWSKENTE-UHFFFAOYSA-N 391.243 0.899 30 10 GCEE C#Cc1ccc(NC(=O)CCN2CCOC[C@H]2C(=O)NCC(=O)OCC)cc1 930243796 NVFUBBGLSFDWFX-KRWDZBQOSA-N 387.436 0.377 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 931092349 ATIZKZDMMUVHGN-OWCLPIDISA-N 378.469 0.967 30 10 GCEE N#C[C@]1(F)CCN(C(=O)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 1117097241 SVOZJJYEHXAHEE-HXUWFJFHSA-N 382.395 0.977 30 10 GCEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC1 1118327693 IMXNFGUFLGFDOL-GOSISDBHSA-N 395.463 0.165 30 10 GCEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC(c4ccco4)CC3)C2)c(=O)nc1O 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30 10 GCEE Cc1c(Br)cncc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392666 DJKLVGOTUCGLCM-UHFFFAOYSA-N 378.186 0.717 30 10 GCEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc21 1154257473 OXGNFIFRITUNNI-UHFFFAOYSA-N 384.392 0.629 30 10 GCEE CCOC(=O)CON=C(C(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C)C2)c1cc[nH]n1 1161458949 SMDJDZMMEPETQM-UMVBOHGHSA-N 377.445 0.540 30 10 GCEE C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336572 KGXAFKBACOXGGK-NBOOPKSLSA-N 383.514 0.568 30 10 GCEE CN(C)CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccnc1 1251176208 SPIIYTJHHKGYPE-HNNXBMFYSA-N 385.428 0.208 30 10 GCEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cn1 1253222227 ULLFCSTVGBWMCB-CUSZFKRNSA-N 391.497 0.711 30 10 GCEE C#CCN1CCC(c2nnc(N3CCN([S@@](C)(=N)=O)CC3)n2CC=C)CC1 1262975717 MXXLVUIGMRPWRC-HHHXNRCGSA-N 391.545 0.990 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1nncn1C 1286788442 WOLWUFXRPICHIG-ZIAGYGMSSA-N 386.460 0.554 30 10 GCEE 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GCEE C[C@@H]1CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CS1(=O)=O 855699101 XCTHBVIWZJMWNN-VXGBXAGGSA-N 399.494 0.197 30 10 GCEE C#C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CCOCC1 856102989 IHCWMDPCQRCQQC-KSSFIOAISA-N 377.441 0.147 30 10 GCEE O=C(O)[C@H]1CSCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 856995831 LVIUOOZXEQWXIO-SNVBAGLBSA-N 383.451 0.001 30 10 GCEE C#CC[C@H](COC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 863794105 SDZKHNCMAQERRJ-GFCCVEGCSA-N 389.271 0.882 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 875188391 ZZPXCRRCPUORBD-OCCSQVGLSA-N 377.828 0.716 30 10 GCEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C1CCN(C)CC1 886574492 INTXXYGKIZPYSI-KRWDZBQOSA-N 388.443 0.356 30 10 GCEE C#CCNS(=O)(=O)N1CCN(Cc2ccnn2CCc2ccccc2)CC1 895918962 PWYFLGSKSOEBAC-UHFFFAOYSA-N 387.509 0.711 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 897674884 KUJISSZBFXASMM-RNKNFESXSA-N 379.501 0.842 30 10 GCEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(CCF)c2)c1=O 901905253 WNDQAXMYCBGJEQ-UHFFFAOYSA-N 398.463 0.971 30 10 GCEE C=C1[C@H](C(=O)N2CCC[C@@]23CCOC3=O)[C@H]1C(=O)N1CCC[C@]12CCOC2=O 907537129 IOHXOUCWMUUHDV-WZBLMQSHSA-N 388.420 0.405 30 10 GCEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 928658406 JSSJZZUSDIYECO-UHFFFAOYSA-N 385.436 0.847 30 10 GCEE C#CCN(C(=O)C(=O)NCCN(CC)CCC(F)(F)F)C1CCN(C)CC1 930413413 CLLRGWARGNAIFU-UHFFFAOYSA-N 390.450 0.933 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@]4(C)CN(C)C[C@@]4(C)C3)CC2)o1 931307579 LYEMMKFNRCZNMZ-PMACEKPBSA-N 386.500 0.777 30 10 GCEE C#CCN1CCN(C(=O)CN2CC[C@@H](c3ncc(C(=O)OC)s3)C2)CC1 932669694 PYDAYVHANXCPRP-CQSZACIVSA-N 376.482 0.496 30 10 GCEE C=CCn1c(-c2ncn(C)n2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1121623803 GQIJUFIDYFRZFZ-UHFFFAOYSA-N 380.460 0.993 30 10 GCEE C=C(C)Cn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[C@](OC)(C(=O)OC)C1 1122499506 WYTIBNONKQPSDO-AUUYWEPGSA-N 391.472 0.691 30 10 GCEE N#C[C@@H]1C[C@H]1c1nnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1CC1CC1 1123684705 YXMNEGJIYNPYQB-DLBZAZTESA-N 399.499 0.296 30 10 GCEE C=CCC[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)OCC 1140930654 UWIGWCRGZFEBQR-KBMXLJTQSA-N 392.456 0.723 30 10 GCEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1ccccc1SC[C@H](C)C#N 1175898297 NMRJASYTWYZYPE-CYBMUJFWSA-N 391.497 0.671 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)cc1 1179954987 PVUJLELPWXPFCX-WMLDXEAASA-N 396.490 0.105 30 10 GCEE C#CC1(O)CN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1221187081 OZMXSIYDZSVCJL-MRXNPFEDSA-N 387.436 0.250 30 10 GCEE CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)C2 1261624750 CGZMNNSWVNMYJL-STXHMFSFSA-N 391.468 0.955 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1286692096 AFPZVSUWBZUTTG-GUYCJALGSA-N 398.533 0.817 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1 1286781157 VFCZCRIQOBQTKW-CABCVRRESA-N 381.477 0.920 30 10 GCEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)CC 1300609617 SSWPHVKDSJIOOC-UHFFFAOYSA-N 393.455 0.859 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nnn(C)n2)CC1 1300690074 AEFBAYBAXIUEEH-UHFFFAOYSA-N 391.483 0.835 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)c2cncn2C)ccc1F 1301544873 DMADERMWEJWYDD-CYBMUJFWSA-N 382.417 0.487 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1301952168 HUMYOKOJCDNPKL-OLZOCXBDSA-N 384.506 0.789 30 10 GCEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCNS(C)(=O)=O 1303639406 DZSDLTDYEQZTKM-KGLIPLIRSA-N 384.506 0.850 30 10 GCEE Cn1c(=O)[nH]c(N2CCn3c(CCc4ccccc4)nnc3C2)c(C#N)c1=O 1307196934 HXVSIWYELDIAMU-UHFFFAOYSA-N 377.408 0.342 30 10 GCEE COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1315082972 INJQZYJCNVNYTL-GFCCVEGCSA-N 386.412 0.929 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](c1cccnc1)C1CC1)[C@H]1CCS(=O)(=O)C1 1323345161 WFMKURWSBIZACD-HOTGVXAUSA-N 375.450 0.298 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1325157253 HOICQLLRKWGDLZ-HZPDHXFCSA-N 388.399 0.409 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 1327221555 PIVAZIPBXWPANF-GFCCVEGCSA-N 396.369 0.574 30 10 GCEE CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1329119801 MXZYRRVGEHZEOI-YCPHGPKFSA-N 386.456 0.459 30 10 GCEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 1329941247 ODODARLYMRGGTK-CYBMUJFWSA-N 385.467 0.454 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Cn2cncn2)cc1 1330173212 BFPFNWXRSRUOJM-HNENSFHCSA-N 380.408 0.859 30 10 GCEE N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCNC(=O)CC3)CC2)c(F)c1 1331062939 JFLUJBOQHMUWIB-UHFFFAOYSA-N 388.399 0.416 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@@]3(c3ccccc3)C2)CC1 1336423872 BJQFOVACARJGRF-AVRDEDQJSA-N 379.460 0.775 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1)C(C)C 1336579443 SQBJFUSAQPFDTK-IBGZPJMESA-N 381.473 0.735 30 10 GCEE C=CCn1c(N2CC[C@@H](Cn3ccnn3)C2)nnc1[C@@]1(C(C)C)CNC(=O)C1 1338894319 HXUVKXUWNIGPLE-DNVCBOLYSA-N 384.488 0.996 30 10 GCEE C=CCNC(=O)CNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1340043705 AAHVXZKBJFAWOL-MFKMUULPSA-N 383.392 0.440 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN(C)C2CCCCC2)C[C@H]1O 1341826981 LRADTELSZASTDL-MKXGPGLRSA-N 393.528 0.920 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCN([C@H]2CCOC2)CC1 1342178391 YMCNRLUIHMUHCY-GJZGRUSLSA-N 392.529 0.149 30 10 GCEE C=CCn1c(N2CCN([C@@H]3CCOC3)CC2)nnc1[C@](C)(O)c1cnccn1 1342455841 ZFYQHCIDDCSCMO-DNVCBOLYSA-N 385.472 0.421 30 10 GCEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(C)CCC(=O)NC1 1342967514 PEONERLNQOTNFT-HXUWFJFHSA-N 397.483 0.678 30 10 GCEE C=C(C)Cn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC)CCOC1 1343484356 QHEBETBEDPOKSZ-QGZVFWFLSA-N 399.517 0.588 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N[C@@H]3C)n2CCCOCC)CC1 1344101012 YGUWTMZGMJUGLW-IAGOWNOFSA-N 388.516 0.842 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F)C1CCN(C)CC1 1345633217 DVBSPKPPLQCCGZ-ZDUSSCGKSA-N 386.378 0.054 30 10 GCEE N#CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCNCC2)cc1 1354270360 NZCJGSRSRGZPAE-HDICACEKSA-N 397.479 0.955 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359299324 BTMRFKDBVOAWLD-GBJTYRQASA-N 388.472 0.250 30 10 GCEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)CC1 1359303439 OONSUZABZBFYDK-UHFFFAOYSA-N 381.502 0.548 30 10 GCEE COCCNC(=O)C1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1451043887 BKCKNNSYGNBSIL-UHFFFAOYSA-N 383.401 0.148 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@H](F)C(N)=O)CC3)CC2)o1 1460642522 QEVANMJGLDDXQH-INIZCTEOSA-N 392.435 0.039 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cccc(NC(C)=O)c3C2)C1=O 1462116591 VKTBDLNJTLRNEM-UHFFFAOYSA-N 384.392 0.507 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCOC2=O)cc1 1464265036 DHJUMPWCGXSCIX-NBVRZTHBSA-N 380.426 0.890 30 10 GCEE Cc1cc(C#N)cnc1C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1470187251 WRNYUPBLMPEJNV-IBGZPJMESA-N 390.440 0.990 30 10 GCEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)CC3)CC1 1475407601 NFDFBJLPNQSKHK-UHFFFAOYSA-N 397.500 0.994 30 10 GCEE C=CCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cn(C)nn1 1490826666 OYPLCJNNROVTJY-SVGFKBNWSA-N 375.473 0.977 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1([S@@](C)=O)CC1 1507710268 LTWAUOVFSRQHLO-AREMUKBSSA-N 376.486 0.676 30 10 GCEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508062102 NDFPOZFXAMBBBA-ZDUSSCGKSA-N 382.490 0.105 30 10 GCEE COc1ccncc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1518540707 CDPUIEPVIHTLJB-ZIAGYGMSSA-N 383.412 0.410 30 10 GCEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CN(C)C1=O 1519166699 XUEAALIZWPFYMK-RDTXWAMCSA-N 376.461 0.627 30 10 GCEE C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1520278298 ICKFOBYYNBWXGQ-AVGNSLFASA-N 397.526 0.239 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2c(c1)nnn2C 1522181767 CNISGTHZBFXDBS-YCPHGPKFSA-N 382.424 0.265 30 10 GCEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539089784 REWUKJRTGXETKR-MRXNPFEDSA-N 385.472 0.932 30 10 GCEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1540036066 KGSRYKMQTIEZBO-CABCVRRESA-N 379.461 0.326 30 10 GCEE 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30 10 GCEE C=CCC1(O)CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 1155857043 BOHHDMFGAXTKJQ-UHFFFAOYSA-N 386.445 0.954 30 10 GCEE Cn1ncc(I)c1C(=O)NC[C@H]1CCCN(CC#N)C1 1160872830 IVPZKRFMGGCJMT-SNVBAGLBSA-N 387.225 0.990 30 10 GCEE C#CCC1(O)CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 1175854728 VRCOXKXHYTXFBX-UHFFFAOYSA-N 397.431 0.872 30 10 GCEE C=CCNc1ncc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)s1 1177372677 SXIDUYJEOGMKOU-UHFFFAOYSA-N 387.465 0.903 30 10 GCEE CSc1nc(O)c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1C#N 1181414129 ZTSLJSWASRWAGX-YVEFUNNKSA-N 378.454 0.336 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2C)cc1 1262741552 JDVCJFCJUDSCHL-BBRMVZONSA-N 394.497 0.640 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)COC 1282011830 UIABZVOLECGKHA-FPCVCCKLSA-N 381.473 0.274 30 10 GCEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1286537384 AMFGZMIAXZYOLR-SNVBAGLBSA-N 383.250 0.416 30 10 GCEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1286730832 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GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 2359281868 MNJKSUICKLRBJM-GRYCIOLGSA-N 382.295 0.581 30 10 GCEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS[C@H](CCO)C1 2362353117 UYUKIBFALIOQHX-GFCCVEGCSA-N 381.307 0.659 30 10 GCEE CC1(C)OB(c2cc(N[C@H]3COC[C@@H]3S(C)(=O)=O)ncc2F)OC1(C)C 2371996939 UYMCRNUIVYREFL-STQMWFEESA-N 386.254 0.744 30 10 GCEE C#CCNC(=O)CCN[C@@]1(C(=O)O)CSC2(CN(C(=O)OC(C)(C)C)C2)C1 2379458517 FECAZHODPZCJAB-GOSISDBHSA-N 397.497 0.665 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(-c3ccccc3OC)no2)c1=O 7394549 CUGBIIOQAGTKDL-UHFFFAOYSA-N 397.391 0.651 30 10 GCEE C=CCN(CC=C)C(=O)CN1CCN(c2ccccc2S(=O)(=O)NC)CC1 69080429 JARFYSSFLSIUCN-UHFFFAOYSA-N 392.525 0.917 30 10 GCEE C#CCN1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 121777801 SRCPQITZDQQEHD-IBGZPJMESA-N 382.464 0.619 30 10 GCEE C=CCNC(=O)c1nc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c2n1CCCC2 243358709 LZBVWXHFVXIMGW-ZDUSSCGKSA-N 394.497 0.784 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)O)c1 262068037 CMTSVNKKHQNFNB-OAHLLOKOSA-N 396.465 0.986 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 276224225 PGSGIUKOUSLYIX-UHFFFAOYSA-N 383.404 0.343 30 10 GCEE CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 290904995 WANTWRSRQDAYRG-UHFFFAOYSA-N 375.404 0.258 30 10 GCEE COC(=O)[C@H](CN)Oc1c(I)cc(C#N)cc1[N+](=O)[O-] 312343350 DJHOJAYHGSFKEV-VIFPVBQESA-N 391.121 0.950 30 10 GCEE CN1C(=O)CC[C@@H](/N=C(/O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H]1c1ccnn1C 329158523 CXZWZXSYWRWHQD-CJBNDPTMSA-N 385.428 0.815 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 369221941 YUNQVDKXYACTFL-KRWDZBQOSA-N 381.436 0.740 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 369221942 YUNQVDKXYACTFL-QGZVFWFLSA-N 381.436 0.740 30 10 GCEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 370971726 FSVUICZNBGBDKS-UZLBHIALSA-N 399.426 0.791 30 10 GCEE C[C@@]1(CCCO)CCCN1C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410966527 KSNUAGHOFDNWHG-FQEVSTJZSA-N 385.468 0.755 30 10 GCEE Cn1c(=O)n(C)c2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c(O)cc21 461614989 RCRWMRUUSDMQMU-UHFFFAOYSA-N 379.376 0.823 30 10 GCEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 517661638 BFWIXNCBNJJKMS-YJBOKZPZSA-N 386.452 0.815 30 10 GCEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(S(C)(=O)=O)CC1 553139653 YCFYKDKBDUBKIL-NEPJUHHUSA-N 399.494 0.307 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 553139654 YCFYKDKBDUBKIL-NWDGAFQWSA-N 399.494 0.307 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@]2(CCSC2)C1 569727629 IKQPLPUBRSGGFF-DYVFJYSZSA-N 395.506 0.960 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]2COC)cc1 578883124 YRPHEGHYXWWZSY-STQMWFEESA-N 387.483 0.676 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](F)[C@H](F)C2)c1 579253365 RDYKHCJWMCJHPJ-LEWSCRJBSA-N 393.437 0.948 30 10 GCEE N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)cc1 582191945 RKOYGEFYZQKCSM-JKSUJKDBSA-N 394.478 0.801 30 10 GCEE CC1(C)[C@H](O)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 583154366 AHSRJXGAZKLUJB-CQSZACIVSA-N 399.494 0.555 30 10 GCEE CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 593531862 JPHPRGFHSFOCEH-UHFFFAOYSA-N 378.498 0.930 30 10 GCEE N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC2C[C@@H]3C[C@H]3C2)s1 594638586 VLFUAJGZTABZRX-UWVGGRQHSA-N 390.512 0.864 30 10 GCEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@@H]12 594883463 COQJZINCQAYGDL-SUHUHFCYSA-N 390.870 0.644 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)n1 596561662 KOAOXHSNQUNMOK-ZENOOKHLSA-N 397.410 1.441 30 10 GCEE N#C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 597750352 XJEPBIIJSWZQHI-QMMMGPOBSA-N 385.751 0.638 30 10 GCEE CCOC(=O)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 599261672 WSJGRFGSVNSMSR-HNNXBMFYSA-N 381.454 0.179 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1 600101877 FWLVIWBLGBYCEM-ZDUSSCGKSA-N 378.454 0.593 30 10 GCEE N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCN(c3ccc4nncn4n3)C2)nc1 600755832 PLLGKCJTKZOKRK-CQSZACIVSA-N 398.452 0.033 30 10 GCEE C=CC(C)(C)CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 627687096 SOMLNYUIUBSHFH-UHFFFAOYSA-N 377.445 0.399 30 10 GCEE CC1(C(=O)CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCCC1 629629578 ZHRJVHXSCVASGY-UHFFFAOYSA-N 399.494 0.916 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2S(C)(=O)=O)CC1 640274001 DPMFPFRQYCUJEE-UHFFFAOYSA-N 398.460 0.681 30 10 GCEE C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 658651795 PHTOAEKORHRBBK-CYBMUJFWSA-N 381.454 0.682 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)CC1 665099892 YJSUGBVWZRWFRH-UHFFFAOYSA-N 383.452 0.658 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 734277699 YZQUBESTUSUPCH-HNNXBMFYSA-N 395.504 0.625 30 10 GCEE C[C@@H](CC(=O)OCC(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 745495314 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CCN(OC)C(=O)CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 828148475 XJBUVPUSSKIIDI-UHFFFAOYSA-N 399.455 0.968 30 10 GCEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)CC1 828524133 JVHRRTUXGUNWFZ-UHFFFAOYSA-N 385.873 0.712 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)CC2)n1 839277387 FGJAPNUUSCTSBJ-HNNXBMFYSA-N 399.451 0.213 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COC2(C)CNC2)c1 843391049 OFQLNLZJCTUKAL-HMMYKYKNSA-N 380.470 0.816 30 10 GCEE C=C[C@H](C)ONC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 845636513 PHRGFZDLYKIVTI-QMMMGPOBSA-N 384.238 0.717 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](OC(=O)N(C)C)C1 845941434 QKJTWLKHTPOPEC-GFCCVEGCSA-N 381.410 0.806 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](C)F)cc1 848942650 QOSYJLQSDKFKNP-ZDUSSCGKSA-N 387.458 0.860 30 10 GCEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3c2CCC3)c1=O 853450934 RQJPSTLZRCQOLT-UHFFFAOYSA-N 399.520 0.880 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1 858923581 JJSSBTWXWBWECY-UHFFFAOYSA-N 381.429 0.383 30 10 GCEE CCOC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 859498440 KALLTKMIRRMLRY-IAGOWNOFSA-N 375.425 0.314 30 10 GCEE C#C[C@H](NS(=O)(=O)c1cnn(C)c1I)[C@@H]1CCCO1 867125201 URIPULGFPPFHFN-IUCAKERBSA-N 395.222 0.484 30 10 GCEE CN1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC[C@H]21 867538555 ONKZCELRSXWMJG-DOTOQJQBSA-N 382.468 0.154 30 10 GCEE C=CCC1(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCOCC1 870806859 HEOAGVHWOGHTCV-UHFFFAOYSA-N 376.413 0.350 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 884108792 MHTTWKXDZLUUMP-AWEZNQCLSA-N 381.379 0.696 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccccc2N2CCCC2=O)CC1 900038030 OWLMRMBDAJIEFH-UHFFFAOYSA-N 384.480 0.802 30 10 GCEE Cn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)Cc2csc(C#N)c2)cn1 914429964 KVKCCAPIACGSDN-FATZIPQQSA-N 384.508 0.989 30 10 GCEE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915372332 IOHOQKWTXBTWDF-HNNXBMFYSA-N 389.412 0.057 30 10 GCEE C=CCc1cc(CNC(=O)NC[C@]2(CO)COCCN2C)cc(OC)c1OC 915500268 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375.425 0.945 30 10 GCEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cn1 735067940 BOVWTAUTWYKTLG-UHFFFAOYSA-N 382.493 0.810 30 10 GCEE CC(C)[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)N[C@]1(C)CCS(=O)(=O)C1 751725504 YPRIQSIGFLQXGA-RHSMWYFYSA-N 381.454 0.772 30 10 GCEE C[C@@H](CC(=O)NCC1(C)OCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 754461909 AORHVFOGELOGSN-LBPRGKRZSA-N 381.454 0.773 30 10 GCEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755680301 NRIMQNWMBXDHHL-KUGGDMIFSA-N 391.405 0.964 30 10 GCEE Cn1nccc1CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 774051325 ACZMVBJUHSARMC-KRWDZBQOSA-N 396.407 0.928 30 10 GCEE C#CCN(C(=O)NCc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774182683 YUQIUUSGXBGTSJ-HNNXBMFYSA-N 396.465 0.398 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 783479675 MPCQHXXYDLXCQD-DZGCQCFKSA-N 392.481 0.750 30 10 GCEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1C#N 785398298 NWOWCGQDORWFER-KRWDZBQOSA-N 388.468 0.656 30 10 GCEE 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387.480 0.925 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1 930467861 UDWZSFPWVZEVAM-XHSDSOJGSA-N 376.482 0.724 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H]1CCC2(CCOCC2)CO1)C1CCN(C)CC1 931221197 NPHLBLWRFSGHMP-GOSISDBHSA-N 391.512 0.634 30 10 GCEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCNC(=O)c1cccs1 1116094431 HDYWOQVWOVDKQE-BMRADRMJSA-N 376.438 0.901 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1117319438 STUQDYXBEQFOKR-KRWDZBQOSA-N 399.472 0.542 30 10 GCEE COC(=O)[C@]1(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)CCOC1 1118945068 YFFMVINZHXUTJH-FQEVSTJZSA-N 387.436 0.608 30 10 GCEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC[C@@H](O)CC1(C#N)CCOCC1)C2 1118957295 CNLHZZTYWFLOKC-BZSNNMDCSA-N 378.517 0.731 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1119191347 MZBDMBMGKGBCRU-LSDHHAIUSA-N 391.468 0.895 30 10 GCEE N#Cc1cccc(CNC(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1 1119898907 XIQUQFQRONYRAV-SFHVURJKSA-N 390.509 0.369 30 10 GCEE 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Cn1nnc(CNC(=O)OC(C)(C)C)c1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339648048 HGUWPAYZDSKQJC-GFCCVEGCSA-N 386.474 0.700 30 10 GCEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2358550745 CSPMMYQZIJYJNC-APIJFGDWSA-N 385.461 0.543 30 10 GCEE C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2360953900 BPXXLGDCLCQZDM-QMHWVQJVSA-N 382.457 0.928 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@H](F)C2)n1 2361992163 PXCNMZLPIVTUIC-LLVKDONJSA-N 389.258 0.078 30 10 GCEE CC1(C)OB(c2ccc(OC3(CN)CS(=O)(=O)C3)c(C#N)c2)OC1(C)C 2364934523 AEVZPNDGTOOXRA-UHFFFAOYSA-N 378.259 0.362 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](C(N)=O)C3(CC3)C2)OC1(C)C 2370322645 MLBDMRCFEKWBAX-NSHDSACASA-N 377.275 0.780 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2379604394 XZYAOJRSSYGRGU-PJIJBLCYSA-N 382.457 0.566 30 10 GCEE CS(=O)(=O)N(CCC(=O)Nc1cccc(C#N)c1)CCN1CCOCC1 243529143 OCHPYHOVFCPERH-UHFFFAOYSA-N 380.470 0.481 30 10 GCEE C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCN(c2c(F)cccc2F)C1 261720727 IIWGYBKPZKZWCB-HUUCEWRRSA-N 378.471 0.708 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 273475083 YMMMKPIWSSVDPN-LBPRGKRZSA-N 399.469 0.327 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)C(C)(C)C 288425744 OFHRJEBLSHXFOS-HNNXBMFYSA-N 377.466 0.648 30 10 GCEE C[C@H]1CN(C(=O)Cn2cc(N=C(O)[C@@H](C)N3CCOCC3)cn2)C[C@@H](C)O1 329708323 LABONJBTMBSJSG-QLFBSQMISA-N 379.461 0.828 30 10 GCEE COC[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349452106 NUEUYLIOGARCBG-LBPRGKRZSA-N 385.467 0.430 30 10 GCEE CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 349541207 LFVUYYGQHURVBC-AGGWBTHJSA-N 398.510 0.827 30 10 GCEE Cn1cc(N2CC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cn1 373397508 DEXCFQXBZBHGEU-OAHLLOKOSA-N 391.395 0.799 30 10 GCEE Cc1nn(C)c(N2CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)c1C#N 472156124 NBZNFSNEODFQPT-HNNXBMFYSA-N 399.451 0.891 30 10 GCEE 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CCC[C@@H](CO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282341905 ZJQWPVCRWXIYLF-GFCCVEGCSA-N 387.311 0.406 30 10 GCEE Cn1cnnc1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345954 KKFSAOZASPARML-UHFFFAOYSA-N 398.319 0.697 30 10 GCEE Cc1nc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)co1 2282346978 RLMADTKETRYAOT-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC(=O)NC3)cc2)OC1(C)C 2282348467 LQDPLWRRNBEUGH-CYBMUJFWSA-N 380.275 0.543 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CNC(=O)O3)c2)OC1(C)C 2282349203 VTMHUENPKVXBIS-GFCCVEGCSA-N 382.247 0.373 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCn3nnnc3C2)OC1(C)C 2282509044 FIIYXWSHOWVHQT-VIFPVBQESA-N 376.251 0.174 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282577868 KRTSGDKBKYFROI-LLVKDONJSA-N 383.279 0.406 30 10 GCEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](N)C(F)(F)F)n1 2282593191 MXWLAVQYCSUEPN-JTQLQIEISA-N 376.188 0.822 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@H](NC(N)=O)C2)OC1(C)C 2282616737 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30 10 GCEE CN(Cc1ccsc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282869210 ZEAALIFQNKYVNU-UHFFFAOYSA-N 398.319 0.997 30 10 GCEE CC(=CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284404963 DPVMIYKIMQVXSH-UHFFFAOYSA-N 385.251 0.029 30 10 GCEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1O 2330742747 LDUPKJAFOHFVRN-UHFFFAOYSA-N 378.414 0.088 30 10 GCEE CC(C)(C)OC(=O)NC1([C@@H](O)C(=O)C2=CCS(=O)(=O)CC2)CCOCC1 2341310680 SIUFQPQEBGBQGK-AWEZNQCLSA-N 389.470 0.735 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)OC1(C)C 2359277018 GWRHZPXDAFQYEP-DNIRFERGSA-N 380.275 0.399 30 10 GCEE Cn1cc(C#C[C@H](OCCN)c2nn(C)cc2I)cn1 2366150734 JZLVOSHLXCROFH-LBPRGKRZSA-N 385.209 0.826 30 10 GCEE C#CC(CO)(CO)N[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 2371587832 FBSWHPQLHAKZDJ-LJPSSGMGSA-N 382.457 0.564 30 10 GCEE C#CC(CO)(CO)NC1(C(=O)O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2379604443 YRIBGOQPWIFJOA-UHFFFAOYSA-N 382.457 0.567 30 10 GCEE C=CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4073237 CRUHDGOVWKFJBM-WRQOLXDDSA-N 388.369 0.272 30 10 GCEE CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 67623062 IUNIFYYJPXLIOC-OAHLLOKOSA-N 392.485 0.209 30 10 GCEE COCCNC(=O)CN1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 96956804 DYRIFCPIYJGJDX-UHFFFAOYSA-N 399.451 0.771 30 10 GCEE C#CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 131881154 GEJGWOFXVMAZHZ-ROUUACIJSA-N 376.478 0.536 30 10 GCEE Cc1ccc(C)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 255231761 HEQHQVOOFJUJRG-UHFFFAOYSA-N 394.500 0.886 30 10 GCEE C#CCN(CC#C)C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1 267650949 LFCLUDHGXGEFTF-UHFFFAOYSA-N 378.450 0.857 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276136307 DLVKPTHJLKEDSR-AWEZNQCLSA-N 394.476 0.446 30 10 GCEE COCCC(=O)N1CCN(C(O)=Nc2nc(CN3CCOCC3)cs2)CC1 329960996 OHESCFHJORYQRX-UHFFFAOYSA-N 397.501 0.702 30 10 GCEE COc1ccc(C(=O)N(C)C)cc1N=C(O)N1CC[C@H](NS(C)(=O)=O)C1 330835060 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N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@H]4CC[C@H]3CN4)C2=O)cc1 422953350 DYTHEPZPLGDMOK-PVAVHDDUSA-N 381.436 0.133 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 424931961 LOHRLWWCRYKXQU-ZFWWWQNUSA-N 382.428 0.572 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 426059333 HJFRISZFEUGBBP-QWHCGFSZSA-N 376.413 0.693 30 10 GCEE COc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3C)CC2)n1 431743012 VVLBMAXPVXFULK-UHFFFAOYSA-N 380.408 0.953 30 10 GCEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)n1 442382693 NYZYBSCOBUQVNF-TZMCWYRMSA-N 386.456 0.965 30 10 GCEE COc1ccc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465464289 FAMQNRGWMXPSRA-AWEZNQCLSA-N 394.435 0.824 30 10 GCEE C=CCOC[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 481769407 SOZCLDINRXOZBA-ZDUSSCGKSA-N 375.830 0.974 30 10 GCEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508918267 DUPLCZNACYRQEF-LBPRGKRZSA-N 387.448 0.134 30 10 GCEE CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 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CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)CC1(C#N)CCC1)C2 571840775 BDPDEFCMJROTNP-UHFFFAOYSA-N 383.495 0.976 30 10 GCEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCn2cnc(C#N)n2)cc1C 582622222 CTWKYQBKIJATLO-UHFFFAOYSA-N 376.442 0.204 30 10 GCEE Cn1ccn2c(CN3CCC(COc4ncccc4C#N)CC3)nnc2c1=O 585533343 PHPFRFJEEWSSLQ-UHFFFAOYSA-N 379.424 0.986 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCN(C(C)=O)C1 593590089 XNDLBBOBNODSAX-CQSZACIVSA-N 379.438 0.882 30 10 GCEE C[C@@H]1C[C@H]1c1noc(CC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 593647915 AHWBIEKZVZBGRJ-VHDGCEQUSA-N 395.485 0.917 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)CCF)n1 593707693 KKMFZRZLTOVFNI-GFCCVEGCSA-N 379.779 1.173 30 10 GCEE COCCOCCN1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 593887406 SRUMHBSDSSFHBB-UHFFFAOYSA-N 377.441 0.753 30 10 GCEE CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(S(=O)(=O)c1cccnc1C#N)C2 594840333 MXKOOJLQOBQHEK-SJKOYZFVSA-N 379.438 0.932 30 10 GCEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@](C)(C#N)C1 595204412 JPMDTXOSINOXHZ-QGZVFWFLSA-N 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C=CCN(C[C@@H]1CCC(=O)N(C(=O)CC2CC(=O)C2)C1)[C@H]1CCN(C)C1=O 1857049951 ANSBVKRWMIWBTN-YOEHRIQHSA-N 375.469 0.840 30 10 GCEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2074742587 UQXPWISBLULUAN-GHMZBOCLSA-N 375.491 0.815 30 10 GCEE C=CCC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2076832979 XPDLGAXEMMFATM-STQMWFEESA-N 376.475 0.368 30 10 GCEE C#CCN(C(=O)[C@@H](COCC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123593316 YCBQJZTVAHSSGL-UONOGXRCSA-N 388.486 0.565 30 10 GCEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 2124705262 GZFXEFHZRNQBSP-ZIAGYGMSSA-N 387.502 0.963 30 10 GCEE C[C@H]1CN(C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1CS(N)(=O)=O 2138162769 WIUFXGUXZYIUQK-STQMWFEESA-N 387.502 0.676 30 10 GCEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2cn3c(n2)COCC3)[C@H](C#N)C1 2194924874 KDYGXSLICCCVMI-UKRRQHHQSA-N 376.461 0.858 30 10 GCEE C=C[C@@]1(CO)COCCN1C(=O)c1cnn(C)c1CNC(=O)OC(C)(C)C 2199878906 FSKDVDJZJGETQI-GOSISDBHSA-N 380.445 0.834 30 10 GCEE CCOC[C@](O)(CNC(=O)OC(C)(C)C)C(=O)C1=CCS(=O)(=O)CC1 2217637807 CJBFTNVCZAEIHV-MRXNPFEDSA-N 377.459 0.593 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NCC3CC4(C3)OCCO4)nc2)OC1(C)C 2255643434 UJLYTSIDKKMSIV-UHFFFAOYSA-N 375.234 0.659 30 10 GCEE C=C(CS(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2255955287 LOBFBJZGUIEFAK-GFCCVEGCSA-N 379.309 0.623 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H]2C(F)F)n1 2267412766 RAOPKTGZAHIAAT-SNVBAGLBSA-N 377.222 0.747 30 10 GCEE CC(=O)NCCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267727873 MRRLKDMUWFKWRL-UHFFFAOYSA-N 388.320 0.804 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(O)(CCO)C2)OC1(C)C 2270672180 VGNXWBZRJVYGOJ-UHFFFAOYSA-N 389.304 0.165 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2281925233 DMAKEFZLUULZEC-UHFFFAOYSA-N 383.279 0.358 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2CC[C@@]3(CNC(=O)C3)C2)OC1(C)C 2281999763 ZCTDRYDDVZDRPR-QGZVFWFLSA-N 377.275 0.795 30 10 GCEE C[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)N1CCNCC1 2282031855 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0.976 30 10 GCEE CN(C)C[C@H](CO)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282548682 ZDRYDYPSUZRBDK-SNVBAGLBSA-N 386.689 0.025 30 10 GCEE COC(=O)[C@H](O)CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2282569589 UGEDWDCPLLHEQO-CYBMUJFWSA-N 383.637 0.903 30 10 GCEE Cc1c(C(=O)N(C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282589902 UWPYLFAFNNZWFJ-UHFFFAOYSA-N 385.295 0.144 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2C[C@H]3OCC[C@H]3N2)OC1(C)C 2282601562 GJWYMPPEVCVUNA-CYZMBNFOSA-N 379.291 0.692 30 10 GCEE CCN(CC(N)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282828556 QKMABWKQHAVYMA-UHFFFAOYSA-N 386.254 0.621 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)n1 2282843262 KRYGLKLVOGEVAB-GFCCVEGCSA-N 385.295 0.111 30 10 GCEE Cc1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)on1 2282850885 USNSDHZNIGEKTI-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CN 2282853908 KZCQSDAPNMCEFG-VXGBXAGGSA-N 384.311 0.125 30 10 GCEE C=C(CS(=O)(=O)N(CC(=O)OC)CC(=O)OC)B1OC(C)(C)C(C)(C)O1 2282866563 LSBOUWKMJPDDKP-UHFFFAOYSA-N 391.251 0.152 30 10 GCEE CCOC1(C(=O)O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2284431747 OPOVUVXRGQPNSH-UHFFFAOYSA-N 382.247 0.758 30 10 GCEE C[C@H]1SC[C@H](C(=O)O)N1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2284461231 NLKASKCQFCBPGI-MWLCHTKSSA-N 381.263 0.708 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2339636494 MRIIWGQFQXHLOZ-SJKOYZFVSA-N 389.470 0.427 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCC[C@@H]2CS(N)(=O)=O)n1 2362163465 GCIMIZUHZANBQR-CQSZACIVSA-N 381.307 0.947 30 10 GCEE COC(=O)[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2362505590 QKDLHNUGTTVLFQ-LLVKDONJSA-N 382.247 0.456 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2C[C@H]3NCCO[C@@H]3C2)OC1(C)C 2369089339 NGSITJKQFXBKLK-RAIGVLPGSA-N 379.291 0.692 30 10 GCEE C#CC[C@H](CO)N[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2376828161 VWOBPFIHTFUZHA-MDASCCDHSA-N 382.457 0.974 30 10 GCEE 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CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 810669605 XBAZTXDWRAWNKQ-NSHDSACASA-N 375.422 0.941 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 829711274 OPHSDZOICQYJQA-LPHOPBHVSA-N 387.480 0.971 30 10 GCEE C#C[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1ccc(Br)cc1 833231095 PHRJQVIWAWBCLG-AWEZNQCLSA-N 392.253 0.930 30 10 GCEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 838264543 MTHVZUAZJLSKJG-HNNXBMFYSA-N 378.450 0.954 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 839596665 VECPFZBCYMJFMP-OAHLLOKOSA-N 379.438 0.637 30 10 GCEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@@]2(CCS(=O)(=O)C2)C1 842632641 KGMWYNOBQIWAEW-SFHVURJKSA-N 387.465 0.972 30 10 GCEE COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846257488 LWENWDMCWGIFRF-QGZVFWFLSA-N 376.457 0.087 30 10 GCEE CC(C)OC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 846266300 SNDKHEPMSYXYLB-QZTJIDSGSA-N 389.452 0.702 30 10 GCEE C[C@H](CC(=O)NCC[C@@]1(O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 846452047 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C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CCN(C)CC2)c1 907787604 YRVLGJXFVSNMHZ-UHFFFAOYSA-N 380.514 0.470 30 10 GCEE CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](CO)C1 912751109 WUQLYTAOEWUJRZ-QNBXZPKWSA-N 392.500 0.908 30 10 GCEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3C(=O)NCC34CCOCC4)C2)c(F)c1 923937660 MSTJWWOXFRHCJG-YOEHRIQHSA-N 386.427 0.935 30 10 GCEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 1116912690 USEJRVIKZRYXPY-UHFFFAOYSA-N 384.440 0.402 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 1119257876 WZFPOXBDYOWSHU-HUUCEWRRSA-N 397.472 0.542 30 10 GCEE C#CCOCCn1nnnc1N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1120253332 YGQMHJRSGWEHGH-SFHVURJKSA-N 392.460 0.539 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N[C@@H]3C(F)(F)F)n2CC)CC1 1121872093 NJRLMSHSPSIODQ-OCCSQVGLSA-N 384.406 0.978 30 10 GCEE C=C(C)Cn1c(-c2nc(COC)n(C)n2)nnc1N1CCN(CCOC)CC1 1122470118 QZMYRXNQKAHWLA-UHFFFAOYSA-N 390.492 0.565 30 10 GCEE C[C@@H]1Cn2nc(C(=O)NCC(=O)NCC#N)cc2CN1C(=O)OC(C)(C)C 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C=CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286773370 HZQHEOFYPCHBNX-ZDUSSCGKSA-N 388.428 0.533 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCn2cccn2)[C@H](OC)C1 1289489438 YYMSKIQXBRVOOP-FAJBIJEISA-N 390.484 0.987 30 10 GCEE COC1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299783320 DQRNGXBIQPNJAV-WUKNDPDISA-N 386.456 0.982 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1300466669 ZQIOOWCBBZGSRU-HUUCEWRRSA-N 397.501 0.107 30 10 GCEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC2(CCN(C)C2=O)CC1 1301569164 RKUQWVNZNDILBB-UHFFFAOYSA-N 381.502 0.636 30 10 GCEE Cc1nn(CCC#N)c(C)c1CCC(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1302873892 INOMEOLIYQCGKK-JHNDHUHGSA-N 383.408 0.316 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(N[C@@H]3CCOC3)C2)s1 1304083341 CZGMGAWNMQRCSY-GFCCVEGCSA-N 385.511 0.344 30 10 GCEE C#CCN(C(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1)[C@@H]1CCS(=O)(=O)C1 1325166017 NWHDHLHKPGXCCS-APWZRJJASA-N 378.494 0.984 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1325607198 NUDUJWRRVQKYTH-MSOLQXFVSA-N 398.463 0.974 30 10 GCEE N#CCC1CCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1326140867 PWIHCDPVEZVDFK-CQSZACIVSA-N 391.449 0.490 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 1330086437 GVFGAWZCCAFONR-KRWDZBQOSA-N 386.452 0.360 30 10 GCEE C[C@H]1CCCN(CCCCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330988007 DEUABCIEJCXHNV-WMZOPIPTSA-N 375.517 0.813 30 10 GCEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 1331058529 XNPOAIGTHSCNCZ-FQEVSTJZSA-N 387.436 0.551 30 10 GCEE COC(=O)[C@]1(N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)CCOC1 1331357086 UHEUCOIZJVQXRU-KRWDZBQOSA-N 397.428 0.336 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)nn1 1332042397 DXXJRHOOGCAJDF-UMVBOHGHSA-N 390.444 0.063 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H]1CCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1332495567 VBXLZLZGLSXRQJ-IAGOWNOFSA-N 395.525 0.159 30 10 GCEE 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CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H](O)C(=O)O)cc2)OC1(C)C 2284410245 AQJGYEWXCBGWEM-CYBMUJFWSA-N 385.247 0.100 30 10 GCEE COC(=O)C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284467437 WXGLGOPEIMJKPD-SECBINFHSA-N 384.219 0.188 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@H]3C[C@@]3(CN)C2)OC1(C)C 2288266178 AIDWELRPEDLFHD-FZKQIMNGSA-N 378.303 0.955 30 10 GCEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339676599 XMBZHHZKKZBTGQ-SCLBCKFNSA-N 386.514 0.902 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@@](C)(C(=O)O)C(C)(C)O)OC1(C)C 2362570095 UEFBZBMYFOHKNG-INIZCTEOSA-N 384.263 0.786 30 10 GCEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2366093180 YYBHVSRUWPHEJD-SJORKVTESA-N 379.505 0.924 30 10 GCEE C=C[C@]1(CO)COCCN1[C@@]1(C(=O)O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2374403677 NYXDCNOTIJTWGS-KKXDTOCCSA-N 386.445 0.373 30 10 GCEE N#CCCNC(=O)CS(=O)(=O)c1cc(Br)ccc1C(=O)O 161634953 QGXWCNKXIUXGNR-UHFFFAOYSA-N 375.200 0.951 30 10 GCEE CS(=O)(=O)N(CCC(=O)NCCN1CCOCC1)c1ccc(C#N)cc1 243669504 PDDDDCLITJECEG-UHFFFAOYSA-N 380.470 0.163 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274468355 MLUALOXFRAZEBF-ZDUSSCGKSA-N 386.478 0.609 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC(=O)N1C 288378859 LLVNWBUTAUNQJS-SECBINFHSA-N 379.214 0.948 30 10 GCEE C[C@H](/N=C(/O)[C@@H]1CN(c2ccccn2)C[C@H]1C)C(=O)N1CCS(=O)(=O)CC1 329010440 HYSGSKQBKONIGG-QLFBSQMISA-N 394.497 0.756 30 10 GCEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(C)[C@H](C#N)C3)CC2)C1 329943940 WMYNEVGCKHGIFI-FUHWJXTLSA-N 375.517 0.623 30 10 GCEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 330378856 GJCZOJQFRMJVDA-LBPRGKRZSA-N 376.433 0.732 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 363000497 NTFNOIQFVROGHM-UHFFFAOYSA-N 380.448 0.285 30 10 GCEE Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)o1 366450800 QISFIZIOWYEJDU-HNNXBMFYSA-N 382.424 0.970 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)CC1 375063092 CYCGVNHWVHSAHB-UHFFFAOYSA-N 392.419 0.708 30 10 GCEE C[C@H](C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)n1cnc(C#N)n1 409464794 KEJJRKARANFNQO-CQSZACIVSA-N 399.430 0.705 30 10 GCEE C=CCCCN(C)C(=O)C(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 420599676 MTOXSNKAQUMJQS-HOTGVXAUSA-N 387.436 0.954 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)C1=O 427145964 CDIPZJLOWIWDSH-OAHLLOKOSA-N 392.456 0.067 30 10 GCEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCOC)C(=O)C1 460788629 HNUBOVIPPVCWAF-UHFFFAOYSA-N 378.477 0.678 30 10 GCEE Cn1ccnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)c1=O 466880260 IPNRFRVBMSHVTJ-UHFFFAOYSA-N 393.856 0.816 30 10 GCEE CN(C)C(=O)CCN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480683169 QDCDONUNTFITQQ-UHFFFAOYSA-N 382.461 0.623 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N 508228253 YSGGSTHVCGLLOO-ZDUSSCGKSA-N 382.417 0.566 30 10 GCEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 516614185 YUYNWADWYWOQCV-QGZVFWFLSA-N 379.482 1.000 30 10 GCEE C=C[C@H](CCC(=O)O)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 516728195 IAIIBEOGFTYMLO-SECBINFHSA-N 380.419 0.895 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 558986647 NLYUTDHPKQTLLN-GJZGRUSLSA-N 399.517 0.708 30 10 GCEE CO[C@@H]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 569415239 AKJNLMDIKBEQCX-HYVNUMGLSA-N 393.465 0.631 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(F)c1 585738848 XFIQJHDLQOFHSB-OAHLLOKOSA-N 382.399 0.889 30 10 GCEE COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F 586862487 YKUWOLLGJMSZAE-CVEARBPZSA-N 379.388 0.250 30 10 GCEE CNC(=O)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1C 592062939 NGGLIVVIFNOFBC-GOEBONIOSA-N 398.460 0.098 30 10 GCEE CO[C@@H](CS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCOC1 594741353 BICVLBLPSFSPFE-CVEARBPZSA-N 380.470 0.457 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4COC[C@H]4C3)C2=O)cc1 597306219 ZLGAAUCHXJMFSA-KSZLIROESA-N 396.447 0.270 30 10 GCEE N#Cc1ccc(-n2ccc(NC(=O)N3CCO[C@H](CC(N)=O)C3)n2)c(Cl)c1 599769812 AUEVIXHRKVMTPD-GFCCVEGCSA-N 388.815 1.505 30 10 GCEE Cc1noc(C)c1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600607074 DAUXYOPPNXLQPV-UHFFFAOYSA-N 388.380 0.711 30 10 GCEE CO[C@H]1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c2)C1 600763443 MRXCJCLJCRIRMH-AVGNSLFASA-N 387.483 0.675 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4CN3)CC2)n1 600795997 DMFPGYJTCQTHCT-DZJNRPSUSA-N 394.479 0.058 30 10 GCEE N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)CC1 600802451 WTZRHPZYHSACLE-XWTMOSNGSA-N 394.479 0.058 30 10 GCEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 601464214 IVPJOKPKWKNXEC-LLVKDONJSA-N 375.447 0.660 30 10 GCEE COCC1(C2CC2)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 601527390 YQUCUPHFRQRESU-UHFFFAOYSA-N 383.452 0.487 30 10 GCEE C=CC[C@H]1N(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)CCCC1(C)C 625626512 XTPAVNOMHURMMA-HUUCEWRRSA-N 380.489 0.736 30 10 GCEE C[C@@H](C#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 732111178 CRYGYHGZQBXJKL-DZGCQCFKSA-N 381.454 0.992 30 10 GCEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 780204229 FPYMLMHXYCWHEQ-TUKIKUTGSA-N 380.422 0.169 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(OC)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 783481295 WLOZXHJHNVFBRU-ZDUSSCGKSA-N 394.449 0.600 30 10 GCEE COC(=O)CC1(NC(=O)COc2cccc(C#N)c2)CCS(=O)(=O)CC1 784208498 KJUYAUAKFRZFRQ-UHFFFAOYSA-N 380.422 0.564 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 800054817 JGATVOWKMHMLOK-ZBFHGGJFSA-N 381.502 0.766 30 10 GCEE C#CC1(O)CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)CC1 820345650 HCFVJVQYXFGIRA-FQEVSTJZSA-N 381.432 0.972 30 10 GCEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CCOCC1 823172218 BPQPWHIJULMXTN-IRXDYDNUSA-N 399.513 0.251 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 831585201 SQAIDFXCGUPWOU-IRXDYDNUSA-N 379.457 0.931 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC1 839226379 VXGMDFADKHBWHS-UHFFFAOYSA-N 393.875 0.140 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@H](OC(F)F)C2)n1 839369663 IATANTTZAAXKAE-HNNXBMFYSA-N 398.410 0.722 30 10 GCEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCN(C)S2(=O)=O)cc1OC 842685111 QIMSWKKXOSHANO-SMDDNHRTSA-N 381.410 0.385 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@]1(CO)CCc2ccccc21 844968917 HAHLKGFYJWLVES-CECJQHFESA-N 384.436 0.689 30 10 GCEE C[C@H](CC(=O)OCC(=O)c1cn(C)nn1)/N=C1/NS(=O)(=O)c2ccccc21 845127448 MHMDPUBGZGRLDG-SNVBAGLBSA-N 391.409 0.058 30 10 GCEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC[C@@]2(O)CCOC2)cn1 845235001 SKVHHGHAHPEQAT-SUMWQHHRSA-N 395.485 0.512 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H]1c1nncn1C 846268045 DTHAZICPTVWYCF-JKSUJKDBSA-N 382.424 0.542 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)C1 847562660 KHCAHGACASAQTJ-AWEZNQCLSA-N 380.470 0.437 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCC2SCCS2)n1 850664096 SYBQLRMGRNOQJC-UHFFFAOYSA-N 396.538 0.804 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C=O)c(OC)cc2OC)CC1 858213177 HKHJKMAVUJOLCO-UHFFFAOYSA-N 375.425 0.576 30 10 GCEE C#CCNc1nc(N[C@H]2CCNC(=O)CC2)nc(N[C@H]2CCNC(=O)CC2)n1 858571534 CVTQLBDMLZXHEC-CHWSQXEVSA-N 386.460 0.078 30 10 GCEE Cn1cc(/C=C\C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 870096015 ODLSPBUXXYNBBL-YVMONPNESA-N 379.420 0.318 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(CCOC)C2)s1 874444273 UYXSRCVFWVXRQZ-CYBMUJFWSA-N 387.527 0.592 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 875265987 ZEVRMAWFEXAPBS-QXAKKESOSA-N 387.480 0.547 30 10 GCEE C#CCC1(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCOCC1 887795917 LQHNFGZCXNIVMZ-UHFFFAOYSA-N 375.429 0.436 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)cc1 899619303 XUUBEESNVQDPLE-OAHLLOKOSA-N 390.383 0.985 30 10 GCEE C#CCCCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1cc(C)on1 910520079 QDRPDGLJLUGRQC-UHFFFAOYSA-N 386.456 0.874 30 10 GCEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 918755100 RLZCQHXHVLJZGD-OAHLLOKOSA-N 398.506 0.312 30 10 GCEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CN2CCS(=O)(=O)CC2)CC1 919141633 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COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1C#N 593525522 GAGLIILLNROFNU-LLVKDONJSA-N 378.497 0.834 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1 593604898 MXYAJNUKCKVYOC-ZDUSSCGKSA-N 394.453 0.769 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 594626377 PSTJKLWDMHAFQC-ROUUACIJSA-N 396.495 0.735 30 10 GCEE CO[C@H](CS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCOC1 594741356 BICVLBLPSFSPFE-JKSUJKDBSA-N 380.470 0.457 30 10 GCEE Cc1cn(C)nc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 594997480 NBCICKAOZCRYJG-HNNXBMFYSA-N 380.408 0.851 30 10 GCEE COC(=O)C12CC(CN1C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2 595140707 YUOMRTYALIACTA-UHFFFAOYSA-N 397.366 0.986 30 10 GCEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 595150527 KDSVNIPPAUFURO-NRFANRHFSA-N 382.464 0.971 30 10 GCEE CC12CC(CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1)C2 595961982 ODBURHTUJJZWMV-UHFFFAOYSA-N 384.483 0.899 30 10 GCEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1 597998733 VOKYAYZUEMRJED-SFHVURJKSA-N 396.465 0.662 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCCCC[C@H](N)C2)CC1 601582991 LMJKWRJQXNPDNN-AWEZNQCLSA-N 375.498 0.998 30 10 GCEE C=CC[C@@H]1N(C(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)CCCC1(C)C 625626509 XTPAVNOMHURMMA-GJZGRUSLSA-N 380.489 0.736 30 10 GCEE CN(C)C1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc2C1 745812687 CAPOZRVWPMQWFH-VHEBQXMUSA-N 397.479 0.911 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 745813024 HVCZJOBVVARLQZ-ZDBRSUKYSA-N 391.472 0.409 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@@H]1CCCO1 787559161 OREOGPXSAKYDMI-ROUUACIJSA-N 399.447 0.703 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc(N3CCN(C)CC3)c2)n1 790104743 VMBKZRNGBOAALD-UHFFFAOYSA-N 396.495 0.952 30 10 GCEE COc1ccc(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1 814717422 IMOIRIAQQSORNP-UHFFFAOYSA-N 382.471 0.867 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)s1 820581909 SPIGFAZZWCTEIG-RYUDHWBXSA-N 383.495 0.634 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(N3CC[C@@H](C)C3)c2)CC1 831565409 RAYRENKPTCXUHH-OAHLLOKOSA-N 391.497 0.153 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)C1 832759880 GZDZZFZHPVAGQM-AWEZNQCLSA-N 384.436 0.363 30 10 GCEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 862121395 VHJMXGJTYNYDSG-INIZCTEOSA-N 388.468 0.860 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)n1 862182668 SHRMJVZRCQTYFY-ZYHUDNBSSA-N 383.339 0.453 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 862194205 GMXPHNXSZHJAGX-XHSDSOJGSA-N 399.447 0.176 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 862196173 FQHHMURZAAECPI-LBPRGKRZSA-N 382.800 0.985 30 10 GCEE Cn1[nH]c(Br)c2c(=NCCNC[C@@H](O)CC3(C#N)CC3)ncnc1-2 863553274 YKOHOUBGOSVLGH-JTQLQIEISA-N 394.277 0.556 30 10 GCEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 863794699 NKPSXGHTGSZONN-CYBMUJFWSA-N 384.429 0.615 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br 867340068 VGVMEUSLHALRON-JTQLQIEISA-N 376.228 0.898 30 10 GCEE N#Cc1ccc(S(=O)(=O)CCN2CCNC(=O)CC23CCOCC3)cc1 872286132 AJQKWHWANCQCLG-UHFFFAOYSA-N 377.466 0.703 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 895920018 YPVHWPIVXWTUPG-GASCZTMLSA-N 386.518 0.375 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)NCC(F)(F)F)CC1 900585204 IXARSOJQOIQERL-HNNXBMFYSA-N 390.450 0.837 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2occc2Br)CC1 913872739 RFFABNBZKQZAOU-UHFFFAOYSA-N 392.275 0.651 30 10 GCEE C=CCN1C(=O)N(Cc2nnc3c(=O)n(C)ccn23)C(=O)[C@H]1Cc1ccccc1 925102117 KXUPBEMDRCLIOY-OAHLLOKOSA-N 392.419 0.990 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H](OC)C1 942066032 FMHFTJLHKSHKHD-TXCZRRACSA-N 388.468 0.766 30 10 GCEE C#CCN(C(=O)C(=O)NCC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1117491834 GXDUIXRYGOYRER-DOTOQJQBSA-N 376.478 0.945 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCOC3(CCSCC3)C2)nn1 1118175959 JKVQQIXYRRMNTK-ZDUSSCGKSA-N 379.486 0.641 30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@H](C)OC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 1118327504 GAAUEBVCNROADC-HOTGVXAUSA-N 396.509 0.586 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC[C@H]1CC1(Cl)Cl 1118755987 IURRAACJGKOGGD-QZOQKNACSA-N 389.239 0.329 30 10 GCEE C#CCN(C(=O)C(=O)N(C)CCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1120329594 YFDCMGNUFRQBPP-QGZVFWFLSA-N 397.541 0.360 30 10 GCEE C=CCn1c(C[C@H]2CCCCNC2=O)nnc1N1CCO[C@]2(CCOC2)C1 1121511920 FNKLKGRDKMTQCG-DNVCBOLYSA-N 375.473 0.919 30 10 GCEE C=C(C)Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CCO[C@@H](CCCN(C)C)C1 1122591687 QDXZGBFGHZGDPO-JKSUJKDBSA-N 392.504 0.887 30 10 GCEE C#CC1CCC(c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC(=C)C)CC1 1122616115 HTDKOCCUNRTUNK-OFLPRAFFSA-N 396.495 0.908 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)n1 1123693763 DHGAGUHSXCOGIF-WMZOPIPTSA-N 376.505 0.309 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncn(CC(=O)OCC)n3)cc2C1=O 1130165837 QXGAGVFCWSGUCK-UHFFFAOYSA-N 383.364 0.876 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1134649703 LBDBZTLLIVNKKV-RPLLJCPNSA-N 395.481 0.640 30 10 GCEE CCCCNC(=O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1142787731 UXNPPMZGMWLTIM-CYBMUJFWSA-N 375.429 0.366 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CC1 1146272845 GURIMVUQDTZDMR-GFCCVEGCSA-N 383.445 0.956 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 1262297367 OYDSQUXJVRFZKA-NEPJUHHUSA-N 379.438 0.400 30 10 GCEE C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(O)(COCCO)CC1 1262970695 PWNMSLSIVPHLJM-MRXNPFEDSA-N 379.505 0.614 30 10 GCEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1286772434 DGPGTUUBWSPQKQ-GJZGRUSLSA-N 384.502 0.856 30 10 GCEE C=CCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286772687 DDBWDAOSBKEMIN-CQSZACIVSA-N 382.428 0.688 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286774753 GOHGDOJGDBWPQP-UPJWGTAASA-N 381.458 0.301 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCCC)C1 1286798385 KDHABSVWSWNTTO-AWEZNQCLSA-N 378.477 0.724 30 10 GCEE C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(=O)(=O)NC)cc1 1291958805 KVWVFZJYVAFENN-PMPSAXMXSA-N 375.450 0.079 30 10 GCEE N#CCSCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1295233794 YHCZXRZRBWBXSL-QBYUYEEZSA-N 381.498 0.649 30 10 GCEE CCN(CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1295358263 HXPBSDCJLUSXMD-HZPDHXFCSA-N 389.504 0.973 30 10 GCEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300496021 MTTIXBDRQQDQLS-CABCVRRESA-N 394.497 0.445 30 10 GCEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)COC)CC1 1300684953 CZSOZHYDXCCPFW-FXAWDEMLSA-N 391.516 0.968 30 10 GCEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](OC)C1 1301593042 HRLSETGUPJKXND-AWEZNQCLSA-N 397.501 0.226 30 10 GCEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCCNS(C)(=O)=O 1303635007 ZQBGEXHUKSPRQJ-CYBMUJFWSA-N 379.490 0.961 30 10 GCEE C[S@@](=O)c1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1319076559 GYODPLYFYHAZAE-ZSNJSTEGSA-N 376.438 0.750 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1 1320915578 OPZFKBOHKYIERE-ZDUSSCGKSA-N 381.454 0.645 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC1CC(c2ccccc2)C1 1324578248 RMTKXLMOOMTTQH-VHEBQXMUSA-N 396.447 0.939 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 1325760790 ZYNRUTFZDJCWRY-IEBWSBKVSA-N 385.464 0.809 30 10 GCEE CN1CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCC1=O 1328298190 LQENTTMEEDUIBP-UHFFFAOYSA-N 384.436 0.619 30 10 GCEE C=CC[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccncc1 1328358620 PRVIPIYSDXAOLQ-UKRRQHHQSA-N 380.470 0.307 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)C1 1329255057 ZMEUQHKLULRPFA-ZACQAIPSSA-N 376.501 0.518 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@]2(C(F)(F)F)CCCN2)n1 1335819003 UHINGXYEEWVDOP-INIZCTEOSA-N 385.390 0.666 30 10 GCEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(c2nc(C)ns2)CC1 1338709501 QDJPOYWSVMNUQF-CQSZACIVSA-N 390.517 0.954 30 10 GCEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1CCN(CC(F)F)CC1 1338864022 USPCPYAMLBGLKC-UHFFFAOYSA-N 396.446 0.416 30 10 GCEE C=CCn1c(N2CCN(c3nccnn3)CC2)nnc1C1(OC)CCOCC1 1339504058 AJAHXLHAGCIUAC-UHFFFAOYSA-N 386.460 0.628 30 10 GCEE C=CCn1c(N2CCN3[C@H](CNS3(=O)=O)C2)nnc1[C@]12CCC=C1OCC2 1340714714 BXHDYOJPFVOBSP-DYVFJYSZSA-N 392.485 0.139 30 10 GCEE C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CCO[C@]2(CCOC2)C1 1343569012 SQDDXNZHLZMWDX-LJQANCHMSA-N 377.489 0.807 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1343751334 JBWVRBNRFNLRHP-CABCVRRESA-N 399.517 0.850 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cn(CCO)nn2)n1CCc1ccccc1 1344386515 IZXSNTOZPOYLJA-UHFFFAOYSA-N 375.436 0.844 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(=O)NC)C[C@H]2C1 1345067173 LXRBXWPIFOLBCC-AESZEHBQSA-N 378.473 0.204 30 10 GCEE C#CC1(O)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1346503694 AKPIUSNOBURDDQ-UHFFFAOYSA-N 391.493 0.591 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nncn2C)CC1 1347164909 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CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 566488143 KCQGYGAKZKBXEH-WBMJQRKESA-N 399.494 0.412 30 10 GCEE Cc1nn(C)c(N2CCN(S(=O)(=O)CCC[C@@H]3CCOC3)CC2)c1C#N 592046693 SASSHXNVWQMIBV-OAHLLOKOSA-N 381.502 0.869 30 10 GCEE COC[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CCOCC1 595097848 LDWBICGYZKMFJJ-OAHLLOKOSA-N 398.423 0.635 30 10 GCEE COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cc1 595203743 CHOKWJJRBIAUCO-LJQANCHMSA-N 386.408 0.219 30 10 GCEE N#Cc1c(F)cc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1F 597168456 QKJZPQYLLIOVES-UHFFFAOYSA-N 375.422 0.945 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)CC2(n3cnnn3)CCOCC2)n1 597486435 DVKHHUWEFFAVKK-UHFFFAOYSA-N 396.386 1.404 30 10 GCEE CN(C)C[C@@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 597655039 XUBUZPWSJVCKMG-AWEZNQCLSA-N 381.274 0.796 30 10 GCEE C[C@H](CCO)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 599020197 QLRQCJWZKIXFMQ-GFCCVEGCSA-N 375.429 0.576 30 10 GCEE COc1cc(NC(=O)C(=O)NCCC2CCS(=O)(=O)CC2)c(F)cc1C#N 599964173 QRVHIIRSTHAKTB-UHFFFAOYSA-N 397.428 0.976 30 10 GCEE Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1C#N 600032922 XMSQLDNCFUGWCQ-CYBMUJFWSA-N 390.407 0.638 30 10 GCEE C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 600832711 KMYQEGPCXNKCRB-CYBMUJFWSA-N 395.419 0.341 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 603826226 VDLHVHTZHBAHFW-HNNXBMFYSA-N 399.472 0.346 30 10 GCEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H](O)C3)cn2)cc1 610606475 CKDJSKHIPSGXQV-GASCZTMLSA-N 382.376 0.638 30 10 GCEE C[C@H](C#N)CN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1CC1 611091067 AJUBIBRLNULECL-HYVNUMGLSA-N 383.514 0.805 30 10 GCEE CC(C)[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 734602412 JVCDJFBASHFSMR-PBHICJAKSA-N 379.438 0.828 30 10 GCEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 742253639 VGZFMYKFBOIUDM-IJYGLTAASA-N 384.436 0.719 30 10 GCEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746384116 FQNLGOAFCJZRDY-UHFFFAOYSA-N 394.435 0.567 30 10 GCEE C#CCN(C(=O)NCCn1c(=O)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 774206550 FCKXKDURZPSYMS-CYBMUJFWSA-N 377.422 0.426 30 10 GCEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 800053943 ATORWEXUUHLNLI-GDBMZVCRSA-N 392.481 0.624 30 10 GCEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 803923187 ZOGKARYWSODPNZ-XHDPSFHLSA-N 394.424 0.964 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 812252332 AYCGNKXFVBFHEI-LSDHHAIUSA-N 397.501 0.250 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CCN1C1CC1 815490844 BVZKRMKJOZBKCQ-MRXNPFEDSA-N 379.424 0.464 30 10 GCEE C#CCN1C(=O)C[C@H](N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O 821771666 JYRLWMUATFNHHV-MOPGFXCFSA-N 395.507 0.676 30 10 GCEE Cc1nc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)no1 826749490 FWWWVSDIFRXPBW-JTQLQIEISA-N 399.454 0.089 30 10 GCEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 830280215 XCUCPLXPLZGEGO-AWEZNQCLSA-N 382.461 0.889 30 10 GCEE CC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 839656320 OYUUJRLNQMUNGK-XDJHFCHBSA-N 378.454 0.916 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C1 847561703 FHAGGLVZKRLALT-LSDHHAIUSA-N 392.481 0.670 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NO[C@H](CN)C2)c1 852818087 PVDGMOWMYFYENZ-BMOWLENRSA-N 379.442 0.542 30 10 GCEE N#CCC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cnsn2)C1 852906574 JMSYNDFKODBGDU-UHFFFAOYSA-N 379.489 0.235 30 10 GCEE C=CCCN(OCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 859375806 HSWFBYHIDVUMMB-INIZCTEOSA-N 375.425 0.626 30 10 GCEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861509239 IFDRWXFORJCHDO-SJORKVTESA-N 397.435 0.589 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861629075 KLNUEFHEBLVMJQ-ORQFMDKSSA-N 378.473 0.934 30 10 GCEE CCOC(=O)C1=CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 862877285 VDZHWXNDOYPCOA-WFASDCNBSA-N 391.449 0.993 30 10 GCEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(F)c2F)CC1 872515729 UCLDSFSNWPFQIB-UHFFFAOYSA-N 393.437 0.047 30 10 GCEE C=C(C)C[C@H](CO)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 883251470 QAAQFBGQFAIBEU-MRXNPFEDSA-N 375.473 0.747 30 10 GCEE C=C1[C@@H](C(=O)N2CCC(C(=O)OC)CC2)[C@H]1C(=O)N1CCC(C(=O)OC)CC1 899941347 GHFIRCTXKRVXRP-IYBDPMFKSA-N 392.452 0.612 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1 1117641254 QHTUSVMZCWROFD-CYBMUJFWSA-N 384.454 0.786 30 10 GCEE CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCCc3c(C#N)cccc32)n1 1118204259 GNXBDPAJLBESLE-UHFFFAOYSA-N 380.408 0.761 30 10 GCEE C#CCSCCNC(=O)C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1 1119139419 RFSQIWALGAGRAC-GOSISDBHSA-N 389.521 0.795 30 10 GCEE C#CC[C@H]1CCN(c2nnnn2Cc2ccc(CN3C(=O)CNC3=O)cc2)C1 1120331388 SIPNKAVHWDSMFP-AWEZNQCLSA-N 379.424 0.623 30 10 GCEE C=CCn1c(CN2CCC[C@H](O)C2)nnc1N(C[C@H]1CCC(=O)N1)C(C)C 1121633080 BLBGNLJXKZHDRA-CVEARBPZSA-N 376.505 0.914 30 10 GCEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)c2ccccc2O1 1132361883 RMDGOKRNQZMADL-LBPRGKRZSA-N 399.428 0.875 30 10 GCEE Cc1cn2nnc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2c(O)n1 1146352087 BRBXPMWYBVAIFQ-HNNXBMFYSA-N 377.408 0.989 30 10 GCEE Cc1cc(C)n(-c2ccc(CC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)n1 1148392710 FYPUCVWVJBBZKK-UHFFFAOYSA-N 392.419 0.982 30 10 GCEE CCc1[nH]c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1C(=O)OC 1179651728 OBEIQPNQBYRYAB-APPDUMDISA-N 379.438 0.683 30 10 GCEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cnn(C)c2Br)CC1 1211839569 FMXOEFJGRLFUHJ-UHFFFAOYSA-N 391.247 0.650 30 10 GCEE N#CCOc1ccc(CNC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1 1261693032 DCYLUVGICDEFNV-INIZCTEOSA-N 399.451 0.611 30 10 GCEE C[C@@]1(CO)CN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)C[C@]1(C)CO 1261808811 GZKNLBKDZCQKCR-OYRHEFFESA-N 385.464 0.477 30 10 GCEE C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1262503647 VKVPMKQRQQMLLS-UHFFFAOYSA-N 377.470 0.843 30 10 GCEE C=C[C@H](O)c1nnc(N2CCCN(CC(=O)N(CC)CC)CC2)n1CCOC 1263262765 RUTMQMRLHXBUJG-INIZCTEOSA-N 394.520 0.524 30 10 GCEE C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 1282749301 OOEFUMMNSNMJGK-LTZCYQRMSA-N 378.454 0.429 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(C)nn(C)c1C 1286460527 DYQUJQVRSJQNKA-UHFFFAOYSA-N 387.488 0.901 30 10 GCEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3coc(C#N)c3)ncnc1-2 1293078593 DJYYDNAGPYKDMC-UHFFFAOYSA-N 390.201 0.806 30 10 GCEE CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1299251020 HMNBEVZNNSKRSH-CQSZACIVSA-N 394.501 0.446 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1300464381 CHOAFEFULUAVSA-HUUCEWRRSA-N 397.501 0.105 30 10 GCEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O)C1CC1 1301312767 LKUIEYRJCRKWGF-UHFFFAOYSA-N 396.517 0.608 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301501344 VAXBYLCIIZXUSX-KGLIPLIRSA-N 397.501 0.098 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H](F)C(N)=O)CC1 1301875278 BKABLNMRHGIJBK-IAQYHMDHSA-N 396.444 0.287 30 10 GCEE 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C=CCN(Cc1ccccc1)C(=O)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1334707439 ONVVXWMJHPHACL-UHFFFAOYSA-N 379.482 0.741 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CCN2C2CCOCC2)n1 1336232883 XLICQNLEWUFXQG-GOSISDBHSA-N 387.484 0.234 30 10 GCEE C=CCn1c(CCc2cncnc2)nnc1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1338690016 DSWPWCNRUVXQKU-MAUKXSAKSA-N 388.497 0.910 30 10 GCEE C=CCn1c(CN2C(=O)Cc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1339463113 FJYPRFBYUCCPAX-MRXNPFEDSA-N 396.451 0.505 30 10 GCEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCO[C@H](CC(F)(F)F)C1 1339917958 MXTGFELSPHKZJO-NXEZZACHSA-N 388.350 0.844 30 10 GCEE C=C(C)Cn1c(N2C[C@@H](C(=O)OC)O[C@H](C)C2)nnc1[C@@]1(C)C[C@H](O)CN1C 1342524401 XCNQOCDCQYQBPT-MMMWYMCRSA-N 393.488 0.533 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1349510384 VDHBQTBYTNCVMJ-LSDHHAIUSA-N 393.484 0.999 30 10 GCEE C=CCCC1(CNC(=O)C(=O)NC[C@]23COCCN2C(=O)OC3)CCCC1 1349514412 ILIHKOMDSOTMHR-LJQANCHMSA-N 379.457 0.967 30 10 GCEE 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C(F)F)COC1 2282346550 OWJZEBJLMWCBHH-UHFFFAOYSA-N 393.221 0.032 30 10 GCEE Cc1nc(=NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n(C)[nH]1 2282347659 AXKYIYCRLWRSBT-UHFFFAOYSA-N 378.263 0.645 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(N)=O)C3)cc2)OC1(C)C 2282353929 KJVMWADBAAQUGW-UHFFFAOYSA-N 381.263 0.027 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CCN)CCN)cc2)OC1(C)C 2282496494 BTIAAMOFESEOBV-UHFFFAOYSA-N 383.323 0.035 30 10 GCEE CNC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2282502277 ITPNAYVJIJJBSZ-UHFFFAOYSA-N 382.291 0.709 30 10 GCEE COc1ccc(S(=O)(=O)NC[C@H](C)CO)cc1B1OC(C)(C)C(C)(C)O1 2282502875 QUXPROQORUUQPW-LBPRGKRZSA-N 385.291 0.901 30 10 GCEE CCNC(=O)NCCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282519793 NCDOONSTOFAGTQ-UHFFFAOYSA-N 382.295 0.800 30 10 GCEE Cc1nc(C(=O)N2CCC[C@@H]2[C@H](O)CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282521512 ZUXMRBMKVSAMOQ-VXGBXAGGSA-N 382.291 0.709 30 10 GCEE CN(C)[C@@H]1COC[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282521862 CETNUTRPIPVRBZ-DGCLKSJQSA-N 381.307 0.749 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCS(=O)(=O)C1 2282533113 HMYUOUBBQFJMNS-NSHDSACASA-N 383.279 0.026 30 10 GCEE Cn1nc(C(=O)N2CC[C@@H]3[C@@H](O)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282553418 XZHHEXMKRCIBNF-AXFHLTTASA-N 381.669 0.968 30 10 GCEE Cn1nnc(=NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[nH]1 2282824696 DBLJBLHIUMOVSR-UHFFFAOYSA-N 399.669 0.385 30 10 GCEE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2282830918 BUGVAPULOZIUQW-GFCCVEGCSA-N 382.291 0.707 30 10 GCEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CC[C@H]2C(N)=O)OC1(C)C 2282835163 PZQGQLLLUDUIGU-LBPRGKRZSA-N 384.238 0.373 30 10 GCEE CN(C(CO)CO)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282835912 CCVHJFXBZGVITR-UHFFFAOYSA-N 389.254 0.099 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC34CNC4)cc2)OC1(C)C 2282842683 BJYXGOJCNYEDBO-UHFFFAOYSA-N 378.303 0.863 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)CC1CC1 2282852576 QSNWIQDAMPNNMW-GFCCVEGCSA-N 385.295 0.159 30 10 GCEE CN(CCCCCN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856795 YIFSWVIORXTIHI-UHFFFAOYSA-N 386.327 0.469 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCNCCC1 2282869100 XJCSOZULVIJBGG-UHFFFAOYSA-N 384.311 0.093 30 10 GCEE CO[C@H](C)CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282873571 NGNKCUIXZBNQNC-LLVKDONJSA-N 387.311 0.731 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N(O)CCC(=O)O)c2)OC1(C)C 2284410449 UJMBREXJMBTPGQ-UHFFFAOYSA-N 385.247 0.982 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N[C@H](CCO)C(=O)O)c(Cl)c2)OC1(C)C 2284430132 PGNYRHDQMGRMOV-LLVKDONJSA-N 384.625 0.600 30 10 GCEE C[C@@H]1OCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]1C(=O)O 2284450562 FXDBIBGYWCLKMG-JOYOIKCWSA-N 382.247 0.756 30 10 GCEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2286902001 JSUOFDOXPSUDMR-AAEUAGOBSA-N 384.311 0.138 30 10 GCEE C#CC(CO)(CO)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2290350419 PIBCECYXTQYUEM-XHDPSFHLSA-N 394.390 0.895 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2335505349 BYSISNSGFWCDTC-WQGACYEGSA-N 387.458 0.065 30 10 GCEE Cn1nnc(CNC(=O)OC(C)(C)C)c1[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2342049808 XTPJSWSDRVFSRA-NSHDSACASA-N 383.474 0.420 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NS(=O)(=O)N3CC(C#N)C3)C[C@@H]21 2342926325 RZKSZNVTAJWDHA-MELADBBJSA-N 386.474 0.443 30 10 GCEE CO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2362498741 MMDCPUITCANSLB-FRRDWIJNSA-N 380.275 0.928 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2S(C)(=O)=O)n1 2368478337 BQYSPBJVKCXLMI-NWDGAFQWSA-N 383.279 0.025 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N2CCNC[C@H]2CC(N)=O)OC1(C)C 2369380726 LFDSXAVOWVGKSV-LLVKDONJSA-N 379.291 0.337 30 10 GCEE CC(C)N1CCO[C@@H](CN2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)C1 106123960 NATZRRXGSOETMQ-ICSRJNTNSA-N 379.549 0.768 30 10 GCEE Cc1nc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)c2cnn(C)c2n1 106171048 BBARNJATMKKQSA-LJQANCHMSA-N 384.488 0.848 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccon3)CC2)c1 172795588 LRLOIZMYVGKPOE-UHFFFAOYSA-N 388.449 0.544 30 10 GCEE CC/N=C(/NCCN1C(=O)Cc2ccccc21)N1CC[C@H](N2CCOCC2)C1 175523967 QFKUWAZBEJVKRU-SFHVURJKSA-N 385.512 0.948 30 10 GCEE C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCN(C(=O)C(C)C)CC1 261597353 AAAOWTUMKIXVHK-UHFFFAOYSA-N 387.550 0.034 30 10 GCEE C/N=C(/NCCS(=O)(=O)N1CCSCC1)N(C)Cc1csc(C)n1 261645078 DPJIRKBONXMIAT-UHFFFAOYSA-N 391.588 0.837 30 10 GCEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@H]2NC(=O)NC2=O)nc1C 270568466 AQDGQFWOPAELCI-ZETCQYMHSA-N 393.454 0.721 30 10 GCEE CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 285264300 UDLXRKCFIDIFJA-AWEZNQCLSA-N 386.456 0.023 30 10 GCEE CCc1nn(C)cc1C/N=C(/O)N1CCN(c2ncnc3c2cnn3C)CC1 329091326 ABWTZKONDGQNJC-UHFFFAOYSA-N 383.460 0.895 30 10 GCEE CN1C(=O)C[C@@H](/N=C(/O)N2CCC(O[C@H]3CCOC3)CC2)[C@@H]1c1ccnn1C 329416771 DHMXGJGCYUMKRC-HDMKZQKVSA-N 391.472 0.876 30 10 GCEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 374447170 QIRHCIPEAXLSBB-CYBMUJFWSA-N 375.458 0.882 30 10 GCEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 374707808 RSOZMTSYXFJLNA-LSDHHAIUSA-N 375.491 0.251 30 10 GCEE CN(CC[C@@H]1CCCCN1C)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410755520 SIBHDQGQFMNQQK-SFHVURJKSA-N 398.511 0.935 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1ccccn1 424615027 IFPJJOKBEGNNRX-KBPBESRZSA-N 389.499 0.724 30 10 GCEE Cn1ccnc(NC[C@@H]2CN(C(=O)c3cccc(SCC#N)c3)CCO2)c1=O 434679715 DXUHAIJDFPJUHC-OAHLLOKOSA-N 399.476 1.349 30 10 GCEE CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC12COC2 453810187 ZZBJNFXVQUGRIR-ZDUSSCGKSA-N 375.356 0.674 30 10 GCEE Cn1ccnc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1=O 503398437 IXKJTOPJPDMRFA-LJQANCHMSA-N 389.456 0.691 30 10 GCEE CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H]2CCO[C@H]21 503703738 LWBSQVTUVSRQIW-DJIMGWMZSA-N 383.452 0.532 30 10 GCEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 509001470 NIXORGALLRWFNQ-ZDUSSCGKSA-N 390.469 0.982 30 10 GCEE CC(C)C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCCCC1=O 530270677 RCYXOBMFOPRWNP-OAHLLOKOSA-N 387.440 0.631 30 10 GCEE CC(C)N1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 549979979 QXHCPOKVXVFJBO-UHFFFAOYSA-N 384.484 0.591 30 10 GCEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 564047782 USLYCCYURDQFEY-INIZCTEOSA-N 385.403 0.489 30 10 GCEE CCc1cnccc1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 567650044 PGKZXRWDWMLPQB-UHFFFAOYSA-N 378.436 0.876 30 10 GCEE Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)ncc1C#N 571296125 HMZXSGRKTZZRDI-CYBMUJFWSA-N 379.442 0.131 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1 573742767 YNKUSWUFUDULSS-CJNGLKHVSA-N 399.494 0.724 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 575925284 IXFMZJQWFFQEHP-INMHGKMJSA-N 393.465 0.225 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1C 576528716 IEPSVAWCUAWLMK-FRRDWIJNSA-N 387.483 0.580 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1 593595115 BKHOIGQVDULCNS-AWEZNQCLSA-N 391.449 0.978 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC(C)(C)CN1CCOCC1 593607309 LETSUKLWSNGVNS-UHFFFAOYSA-N 381.454 0.734 30 10 GCEE Cn1ccnc1[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCO[C@H](C#N)C1 593646345 VEXAHEWGTJRVPJ-HZPDHXFCSA-N 375.454 0.763 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C#N)C2)c1 594632063 YUYQYQWARHEROY-CYBMUJFWSA-N 382.467 0.753 30 10 GCEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 598317294 MRMVPKDYGXXLOC-MAZHCROVSA-N 380.422 0.216 30 10 GCEE CN1CCCC[C@H](CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 600032591 WOONRDXTQXEVAI-CQSZACIVSA-N 381.440 0.926 30 10 GCEE C=CCOCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 666790834 HEWKIXYQSAGEHS-UHFFFAOYSA-N 384.458 0.817 30 10 GCEE C#CCN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 746152679 PVAVYTHYZASRMZ-HZPDHXFCSA-N 388.445 0.154 30 10 GCEE CN1CCc2ccc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc21 753369539 DALFFVYSTHHMGG-WUKNDPDISA-N 376.438 0.484 30 10 GCEE 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C=CCn1c([C@@H]2COCCN2C)nnc1N1CCO[C@](C)(C(=O)OCC)C1 1262942888 ARWVBVJAAYYDQP-KSSFIOAISA-N 379.461 0.626 30 10 GCEE C=CCn1c([C@H]2COCCN2C)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1262943724 YHUMZNALTXOJIP-CPUCHLNUSA-N 381.502 0.338 30 10 GCEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288517247 BDFVWXUFBFZETM-CPUCHLNUSA-N 397.501 0.460 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301498730 SUDLLRINUAYCJH-KBPBESRZSA-N 390.488 0.783 30 10 GCEE O=C1C=COC2(CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)C1 1312374176 MDMSXHYYDGAOSW-RDTXWAMCSA-N 398.481 0.770 30 10 GCEE CC(=O)NCc1ccc(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1318677439 DGKSEXKENDNYFN-FMQUCBEESA-N 399.403 0.965 30 10 GCEE CNC(=O)CC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1320509530 MJKVDMUYKXLMFA-UHFFFAOYSA-N 395.423 0.452 30 10 GCEE C=CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1321309516 OXGSWYIZPFWRFY-AWEZNQCLSA-N 375.491 0.196 30 10 GCEE C[C@H](c1ccccc1F)N(C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322692855 HJRUHYGXAZGHJO-WGKGOADCSA-N 388.399 0.988 30 10 GCEE C#CCN(C(=O)C(=O)NCCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1323147854 RMRWPGFFZCDGHY-DLBZAZTESA-N 397.541 0.406 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1325946650 ISEZDIRGJFWYOK-RDJZCZTQSA-N 386.452 0.141 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Nc2ncccn2)C1 1326215792 AVRHWFVERBXJMF-KGLIPLIRSA-N 389.485 0.847 30 10 GCEE C#CCN(C(=O)C(=O)NCC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1327075505 SOWXHWHEQMONQS-MRXNPFEDSA-N 398.525 0.739 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2c3ccccc3C(=O)N2C)n1 1330413639 OKTGWABZTLMLSY-SFHVURJKSA-N 393.447 0.808 30 10 GCEE C=CCN(C(=O)C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1)[C@H](C)COC 1335037425 XTZUURPZMFFWRX-AUUYWEPGSA-N 394.472 0.578 30 10 GCEE C#CCN(C(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F)C1CCN(C)CC1 1335163765 HPTRJVRKTBMOGE-UHFFFAOYSA-N 399.417 0.953 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(c2ccccc2O)CC1)C1CCN(C)CC1 1335164049 NXVOPJQJXMDQCY-UHFFFAOYSA-N 384.480 0.597 30 10 GCEE C=C1CCC(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1335578742 XAVKTUQPKMJRIK-UHFFFAOYSA-N 389.543 0.344 30 10 GCEE C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 1335918062 GRABHISBOQFWNH-SQNIBIBYSA-N 389.496 0.517 30 10 GCEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCN1C1CC1 1336101383 VILIIZZYUVHHDQ-UNEWFSDZSA-N 382.486 0.104 30 10 GCEE C#C[C@H]1CCCN(c2nnnn2CCN(C)S(=O)(=O)c2cccs2)C1 1337577438 IXTCBBGSVIHHBH-ZDUSSCGKSA-N 380.499 0.905 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1CS(=O)(=O)C1 1338757903 RNGFTDDXVQMIJH-GFCCVEGCSA-N 378.458 0.003 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N[C@@H]2C)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1338879432 NVENIIPHUHJKIB-YIYPIFLZSA-N 379.486 0.327 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCC(C(=O)NCCOC)CC1 1340374928 JGGGTTWXJAPYJL-JKSUJKDBSA-N 392.504 0.181 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 1340424436 DZDGSTNODUHFSW-DOTOQJQBSA-N 388.468 0.726 30 10 GCEE C=CCn1c(-c2cnc(C#N)cn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1340441357 UBLWKRHDJCJNRH-OAHLLOKOSA-N 380.456 0.951 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CC[C@H](C(=O)NC)C1 1343616632 BSMNTJSSFVSBTF-QWHCGFSZSA-N 378.502 0.201 30 10 GCEE C#CCN(c1nnc([C@H]2CCCC(=O)N2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1343843537 VWYFMWGOOBGARQ-HUUCEWRRSA-N 391.497 0.822 30 10 GCEE C=CCOCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1350563105 SUQFOYJKXPZRCJ-UHFFFAOYSA-N 380.445 0.066 30 10 GCEE C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 1355690754 TZFCDRUTFOPAHV-OIPACUDHSA-N 377.445 0.670 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1356415813 JGJYETBFNGGKOZ-QJPTWQEYSA-N 380.388 0.435 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCOC1=O 1358871266 CCQFPNOUGUVOFR-CHWSQXEVSA-N 398.489 0.189 30 10 GCEE 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C=CCN1C(=O)c2ccc(C(=O)N3CCC(O)(C(=O)OCC)CC3)cc2C1=O 469837445 ZEPQRMGCFSLRRT-UHFFFAOYSA-N 386.404 0.999 30 10 GCEE C=C[C@@H](CCC(=O)O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 517521198 ZTDFGARNTHRPMU-NSHDSACASA-N 376.456 0.635 30 10 GCEE COC(=O)CN(CC#N)C(=O)c1cc2c(cc1Br)NC(=O)CO2 542032357 KQYNMJGZMJVXAW-UHFFFAOYSA-N 382.170 0.919 30 10 GCEE CNC(=O)COc1cccc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546169119 BYGYZTNWWSGKGD-UHFFFAOYSA-N 393.447 0.969 30 10 GCEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555291153 SWMUIWHRXCWAQX-QGZVFWFLSA-N 394.479 0.900 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 559240069 HHEYQFZOJTUOIU-KBPBESRZSA-N 385.490 0.270 30 10 GCEE COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 564907873 OJEKETNXKZQRHN-QZTJIDSGSA-N 382.482 0.928 30 10 GCEE N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 569344468 NHSNEFAHKNYBKD-GDBMZVCRSA-N 380.426 0.054 30 10 GCEE COC1(C)CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C1 569622729 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0.559 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCCO2)n1 600028711 KMCAJFRXHFGXRV-HUUCEWRRSA-N 387.371 0.478 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)C1=O 600542130 AQJPQSHVYIDJPX-AGIUHOORSA-N 377.397 0.153 30 10 GCEE CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc(C#N)cc1Cl 610869957 LSBAQGUEWJXSDC-UHFFFAOYSA-N 384.845 0.644 30 10 GCEE N#C[C@H]1CN(C(=O)NCCC2CS(=O)(=O)C2)CCN1Cc1ccccc1 615734960 YMXWHLRPQHXPQF-KRWDZBQOSA-N 376.482 0.841 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2C1=O 623332650 FMSCXRFGXGNEJN-QGZVFWFLSA-N 397.431 0.932 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 625377176 WIAQUANKNVUYGJ-NJELEJDNSA-N 376.501 0.638 30 10 GCEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 632506278 VBONNDJJEFJSHW-NSHDSACASA-N 387.259 0.853 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 657137717 QPZVDNSHBLJQTL-OCCSQVGLSA-N 386.495 0.846 30 10 GCEE C#C[C@]1(O)CCN(S(=O)(=O)c2cc(CNC)sc2Br)C1 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C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(C)c2OC)c1 841086558 KUYIWUZMCSXWEO-UHFFFAOYSA-N 382.420 0.916 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)n1 843055261 UQMOWAFZALASGR-HOCLYGCPSA-N 390.440 0.061 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(F)F)CC1 846248823 JLPLLDQPGTYHNT-HNNXBMFYSA-N 380.395 0.459 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)C1 847560665 HPOPBTXQAMGGBP-AWEZNQCLSA-N 393.465 0.422 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)CC2(C(=O)OCC)CCOCC2)CC1 865178302 XKTSBSLTCSQXMY-UHFFFAOYSA-N 393.484 0.020 30 10 GCEE C#CCSCCNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 866853270 UVYFGZREYFQXJT-ZDUSSCGKSA-N 378.516 0.908 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2csc(C3CCNCC3)n2)CC1 876715300 KMMPOCLCXICRHP-UHFFFAOYSA-N 377.514 0.670 30 10 GCEE C#CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 899269472 MYZJNRUQDULNIG-HNNXBMFYSA-N 399.513 0.882 30 10 GCEE C#CCN(C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C1CCN(C)CC1 923022099 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386.500 0.929 30 10 GCEE Nc1cc(I)ccc1C(=O)N[C@@H]1CCCN(O)C1=O 1159641095 CEJYCTVNJWYDEK-SNVBAGLBSA-N 375.166 0.983 30 10 GCEE Cc1ccc(C(=O)NCCS(=O)(=O)C2CC2)cc1S(=O)(=O)NCC#N 1161869431 RSVJGNBKHWNXDO-UHFFFAOYSA-N 385.467 0.104 30 10 GCEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(C)c(F)c2)CC1 1168910796 GSAOLDRFXNIYDU-UHFFFAOYSA-N 382.461 0.548 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)N(C)OC)s1 1169279152 FLHVKHLCUCHQJL-JTQLQIEISA-N 375.472 0.279 30 10 GCEE N#Cc1ncn(CC(=O)N[C@H](CO)c2ccccc2I)n1 1180270902 JPUMCPLPVCMKKP-LLVKDONJSA-N 397.176 0.604 30 10 GCEE C=CC[C@H](CO)CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1219766767 OCNBKLDDEUYJCB-LBPRGKRZSA-N 379.413 0.904 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCN3CCOC3=O)C2=O)cc1 1251842148 HKPVVXOWUZGXRB-OAHLLOKOSA-N 399.407 0.722 30 10 GCEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C1CCN(C)CC1 1262344509 IJPUGZQKQKSNFB-UHFFFAOYSA-N 378.494 0.551 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(CO)nn1 1286363112 NSCLOCSRHSFABO-GOSISDBHSA-N 389.460 0.174 30 10 GCEE C#CCN(c1nnc(-c2cnccn2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286389801 QYVQDDCOWWGQDT-CQSZACIVSA-N 390.469 0.398 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1286408872 GCVQGWMWIUGZNE-QGZVFWFLSA-N 383.477 0.891 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(OC)C2CC2)CC1 1286470924 FPVMPDWSZDESBK-HXUWFJFHSA-N 388.516 0.987 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC)CC1 1286472078 URVDZMPJQBUYDU-HXUWFJFHSA-N 388.516 0.820 30 10 GCEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286767601 CAOKRNCNTNMJFB-KDOFPFPSSA-N 376.461 0.857 30 10 GCEE CCO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)[C@@H]1C 1290248495 XPOLNSGGOBFNDZ-KLHDSHLOSA-N 382.530 0.563 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)sc2S(N)(=O)=O)C1=O 1297061506 IBTNEQXLTYRYTO-VIFPVBQESA-N 377.875 0.908 30 10 GCEE CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1298103057 FITVNIGLUOTHQO-SWLSCSKDSA-N 386.453 0.115 30 10 GCEE 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0.714 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 608782912 BMVBWRQPYIYJEJ-UHFFFAOYSA-N 391.497 0.815 30 10 GCEE N#Cc1ncccc1S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 617470550 RWYCNFPHFYHXCF-UHFFFAOYSA-N 377.470 0.176 30 10 GCEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1coc(C(=O)N(C)C)c1C 645484639 LFNYDESYVZNROJ-GFCCVEGCSA-N 390.483 0.654 30 10 GCEE C#CCN(C[C@H](O)COc1c(OC)cccc1OC)[C@H]1CCS(=O)(=O)C1 731213594 HBNWBNILRYSSGG-GJZGRUSLSA-N 383.466 0.566 30 10 GCEE COC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccccc2O1 733893536 BLMXUNBHXRSIFF-BQASMSSTSA-N 385.376 0.870 30 10 GCEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(C=NOC)cc1 735774661 ZNOJHXDOTZISPJ-CQSZACIVSA-N 383.426 0.669 30 10 GCEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 742692916 UJBTUPLQENHLDQ-NEPJUHHUSA-N 399.494 0.149 30 10 GCEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H](C(F)(F)F)O1 745812729 CMWISXBGPYKTAZ-UOARKACSSA-N 376.335 0.874 30 10 GCEE C#CCN1CCN(C(=O)CN(CC(=O)OC)Cc2ccc(F)c(F)c2)CC1 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C=CCNC(=O)Cn1nc(N2CCN(c3ccccc3OC)CC2)ccc1=O 35375447 JZJHGPMEESJFMP-UHFFFAOYSA-N 383.452 0.881 30 10 GCEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 47011395 PEQLNDFKUWZKKM-KTKRTIGZSA-N 395.463 0.559 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NCc2cc(Cl)ccc2OC)CC1 52305171 INAIYXAVZRWZHB-UHFFFAOYSA-N 394.903 0.885 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)NCc2ccc(F)cc2)c1=O 174724761 XIQZDTKEIWJIEV-UHFFFAOYSA-N 388.399 0.389 30 10 GCEE C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](c2cnn(C)c2)C1 261673150 PPIIAKZJMBKUEK-OAHLLOKOSA-N 382.534 0.456 30 10 GCEE CC/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(Cc2ccon2)CC1 261790663 QJNAYDBGAFSUMZ-HNNXBMFYSA-N 398.533 0.039 30 10 GCEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 265288495 HDTCFSYPRWYSHB-CQSZACIVSA-N 394.453 0.458 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 279934575 GQXYUARYFMLDJH-OXJNMPFZSA-N 381.436 0.975 30 10 GCEE C#CCOc1ccccc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 287742654 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GCEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 466102483 AWWZBBUASGORKE-OAHLLOKOSA-N 380.470 0.908 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 524858442 IIQAZJJYRZUTAL-UHFFFAOYSA-N 384.444 0.422 30 10 GCEE N#Cc1cn(C2CN(C(=O)NC3CCN(C4CCCC4)CC3)C2)c(=O)nc1O 527789008 KUDFLSXCLKCZQX-UHFFFAOYSA-N 386.456 0.794 30 10 GCEE C[C@](NCC#CCN[C@@](C)(C(N)=O)c1ccccc1)(C(N)=O)c1ccccc1 530358242 JJAZUCWZMWWBDM-FGZHOGPDSA-N 378.476 0.970 30 10 GCEE N#Cc1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)O)CC3=O)C2)ccc1Cl 548247705 IAXBTEWSVKGMGE-NEPJUHHUSA-N 397.840 0.908 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 567352781 OGZCNYDYTHWYSW-QGZVFWFLSA-N 383.452 0.629 30 10 GCEE C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)C2CC2)c1 568255086 FKKHEIDOUJBAAZ-GXTWGEPZSA-N 399.494 0.507 30 10 GCEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(S(C)(=O)=O)n1 574529106 RSHVJNKZSDPDNL-UHFFFAOYSA-N 387.465 0.956 30 10 GCEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 580845020 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C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600668658 SDSWGPFNUFATKA-UHFFFAOYSA-N 387.399 0.953 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 604188989 DPZMBPOMCKPSMR-UHFFFAOYSA-N 399.495 0.201 30 10 GCEE C=CCNS(=O)(=O)c1ccccc1N1CCC[C@H](CS(=O)(=O)NC)C1 641680491 RQCQGOXEDFYCRU-AWEZNQCLSA-N 387.527 0.917 30 10 GCEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2COC)cc1 652013346 UXOZEEUQMQTFFR-LSDHHAIUSA-N 376.413 0.541 30 10 GCEE C=CCn1c([C@H]2C[C@H]3CC[C@H]2O3)nnc1N1CCCN(S(C)(=O)=O)CC1 652557696 JLJQLCXGYWLIMW-QLFBSQMISA-N 381.502 0.971 30 10 GCEE C#CCN(CC(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 729266107 VRGFGKWWCGLPLS-LJQANCHMSA-N 389.521 0.766 30 10 GCEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)[C@H]1CCS(=O)(=O)C1 729331073 JHEWLPZLLIWXRI-AWEZNQCLSA-N 386.429 0.731 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 742065479 GXEIROUODAIQEN-DLBZAZTESA-N 383.448 0.455 30 10 GCEE C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 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30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)n(C)c1=O 1300663722 DNCKOCGPOJYEHA-UHFFFAOYSA-N 395.467 0.820 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1300779428 AYLJKDVBXGDSFD-OGHNNQOOSA-N 394.501 0.159 30 10 GCEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300949236 QJISHVLJEVXBAD-GFCCVEGCSA-N 387.444 0.326 30 10 GCEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1301971046 KAQIFIWSIHVXNS-CQSZACIVSA-N 399.455 0.906 30 10 GCEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCOC1 1302286416 IBRDDTGLLARHBM-USJZOSNVSA-N 395.435 0.595 30 10 GCEE C#CC1(O)CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1304607192 VSWQIKGAIGYLFW-UHFFFAOYSA-N 393.646 0.570 30 10 GCEE CCS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCO[C@H](C#N)C1 1314552001 HXZWBLBKJVJNDY-CQSZACIVSA-N 382.490 0.604 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)NCC[C@@H]1CSc2ccccc2O1 1326129506 OKJZTFNXRGTTAV-CYBMUJFWSA-N 398.506 0.763 30 10 GCEE C#CCSCCNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 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OGYNKGATCSIZDH-HZSPNIEDSA-N 379.486 0.676 30 10 GCEE C=CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1339070152 TXGAVQBKMBPUPP-KXBFYZLASA-N 376.505 0.728 30 10 GCEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3(C#N)CCOCC3)n2C)CC1 1339504265 DFQHLTZLENMGDU-HNNXBMFYSA-N 387.488 0.130 30 10 GCEE C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]12)C(C)C 1340041525 LLKIGNQQKKDXAH-XMTFNYHQSA-N 383.558 0.824 30 10 GCEE C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCn2c(CC3CC3)nnc2C1 1341316112 KJWHHQMCWJXOOV-CQSZACIVSA-N 382.472 0.974 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)C1 1342403947 AHZVMAOGMMKLSJ-DLTWYDFYSA-N 386.514 0.756 30 10 GCEE C#CCSCCn1nnnc1N1CCN(c2ccc(F)cc2C(N)=O)CC1 1343921296 AXWUNHZVRBKJLU-UHFFFAOYSA-N 389.460 0.604 30 10 GCEE C=C(C)Cn1c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1[C@]1(O)CCSC1 1344026817 IPRZSSDGRSZDSM-ZENOOKHLSA-N 384.527 0.660 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)N2)n1C[C@H]1CCCCO1 1345954574 KYLFDNUXYXAVGV-CABCVRRESA-N 377.470 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CN1C(=O)NCC12CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2362564173 NFQWBBKKQCEETH-UHFFFAOYSA-N 378.263 0.292 30 10 GCEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC(=O)NC1=O 2362568675 JMNQRWIHIZNCQE-JTQLQIEISA-N 379.247 0.320 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CCC(O)(C(=O)O)CC2)OC1(C)C 2362576712 MTRSVMYEUZOMLW-UHFFFAOYSA-N 382.247 0.494 30 10 GCEE CN[C@H](C#Cc1ccn(C2CC2)n1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2366117979 HDALRPASJORLQT-JTDSTZFVSA-N 376.457 0.812 30 10 GCEE C[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1(C)C 2366217679 MMLXRFMMLWCRFB-WDEREUQCSA-N 384.311 0.827 30 10 GCEE C#CCCN1CCN([C@@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CC1 2372694466 NQLXZEUZVQSSIY-LJQANCHMSA-N 381.473 0.718 30 10 GCEE C#CCN(C)C1CN([C@](C)(C(=O)O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 2378082711 CXXHCHJYBZTLDZ-KXBFYZLASA-N 381.473 0.715 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](N)C1(C)C 2380428885 WCLNPKJHJCPCII-LBPRGKRZSA-N 384.311 0.220 30 10 GCEE O=c1c(/C=N/[C@H]2CCS(=O)(=O)C2)c(N2CCOCC2)nc2ccccn12 5175282 ARHPDMHKBATMEN-FHXOWUIVSA-N 376.438 0.137 30 10 GCEE CN(CC(=O)NCC#CCOc1cccc2c1OC(C)(C)C2)S(C)(=O)=O 90733568 ZMMQOBINIAEYMJ-UHFFFAOYSA-N 380.466 0.790 30 10 GCEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 120504589 MITLEDJVZUTYKN-AWEZNQCLSA-N 376.356 0.999 30 10 GCEE CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CC[C@@H](n2ncc3ccccc32)C1 262334468 VSMDDHPHDNAXCO-MRXNPFEDSA-N 399.499 0.405 30 10 GCEE CCc1nc2n(n1)C[C@H](N/C(=N/C(C)C)NC[C@@H]1CCS(=O)(=O)C1)CC2 262458663 XDTFATZNIFIPKF-UONOGXRCSA-N 382.534 0.534 30 10 GCEE CN(C)S(=O)(=O)n1ccnc1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 279593875 OOYPKGTYONTTGH-QGZVFWFLSA-N 388.497 0.748 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)cc1 288445046 FMRQARCQTCXLGQ-HXUWFJFHSA-N 387.436 0.949 30 10 GCEE Cn1nc(CC(=O)N(CCC#N)CCN2CCOCC2)c2ccccc2c1=O 302805567 CFOPKGFCBLFMHG-UHFFFAOYSA-N 383.452 0.550 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 326727640 DYRZBPQXQAWWNV-SNVBAGLBSA-N 376.387 0.545 30 10 GCEE CC1(C)CN(CC/N=C(/O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCO1 328863497 MLJULTCTPYHCHU-INIZCTEOSA-N 382.505 0.582 30 10 GCEE CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349488067 YMICMLYZJSHZJW-CHWSQXEVSA-N 381.545 0.461 30 10 GCEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC1(C)C 349542788 NZZVRGZDZIDQPX-ZFWWWQNUSA-N 393.531 0.429 30 10 GCEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 373816200 SBVFGKUCQSCBDP-HOTGVXAUSA-N 386.408 0.243 30 10 GCEE O=S(=O)(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1cncc(C#CCO)c1 398342375 VTLOCZNDQGSQRV-PMOLBWCYSA-N 383.473 0.834 30 10 GCEE CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410696960 IYGIWZJEBROKBK-QGZVFWFLSA-N 384.484 0.400 30 10 GCEE CCNCC1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 423041441 XFMKMWUNUCTWBD-UHFFFAOYSA-N 384.484 0.450 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)CC1 448618509 NYCMRAASNBWCAV-FXAWDEMLSA-N 399.495 0.438 30 10 GCEE N#CC1CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 499014858 MFIHQYFJCRBAFK-CVEARBPZSA-N 396.447 0.784 30 10 GCEE Cc1cc(N2CC(n3cc(C#N)c(O)nc3=O)C2)n2nc(C(F)(F)F)nc2n1 528117416 WZGFGVYHMQOXFM-UHFFFAOYSA-N 392.301 0.647 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2ccn3C)CC1 530921550 DFHQMWAHOAKQAP-UHFFFAOYSA-N 383.452 0.563 30 10 GCEE CS(=O)(=O)NC[C@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 533148531 RIKNGONNNBBVEG-OAHLLOKOSA-N 385.511 0.736 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 548948930 JLXJFLLMQKLBSC-OLZOCXBDSA-N 379.490 0.802 30 10 GCEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS(=O)(=O)C2CC2)cc1 560157851 SIQOWPOLUWSUSF-AWEZNQCLSA-N 379.463 0.975 30 10 GCEE CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)n1 560282965 SHZXCXPVJXGDMR-INIZCTEOSA-N 396.451 1.461 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CCC2)c1 569622803 JHSOCOCRQBKXQA-GFCCVEGCSA-N 387.483 0.412 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC[C@H]1C 576528710 IEPSVAWCUAWLMK-AGIUHOORSA-N 387.483 0.580 30 10 GCEE CN([C@@H]1CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 580329067 KBCQILSDCHZLOF-GFCCVEGCSA-N 385.467 0.430 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C[C@@H]3CCC(=O)N3)C(C)C)CC2)o1 591056112 FJSYKGQOVBUQMR-HNNXBMFYSA-N 388.472 0.492 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1ncn(C)n1 592826439 BWBAKGIVXLXVPF-LBPRGKRZSA-N 376.442 0.103 30 10 GCEE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593783248 YBTMPHJWPQOTAW-KXBFYZLASA-N 383.496 0.753 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 594850092 TZJADMQLFBAXGL-ZYHUDNBSSA-N 386.451 0.589 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(O)C[C@H]2C=C[C@H]1C2 595166874 YBQLPMYVQZFOGB-ZQGRQUNCSA-N 385.420 0.965 30 10 GCEE CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H](C)C#N 595817079 GDTNWYKWCCEKKM-INIZCTEOSA-N 378.498 0.895 30 10 GCEE C=CCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 656026607 MOEDFNNTUMTGDO-DLBZAZTESA-N 391.516 0.596 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 666709126 TYJRKXJNJQYPRL-QZTJIDSGSA-N 388.516 0.761 30 10 GCEE C=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 734030326 ZHWASNIJFIJQTK-UHFFFAOYSA-N 397.405 0.754 30 10 GCEE C[C@@H](CC(=O)NCCc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 742550140 FVSCJOYGZXVQHN-LBPRGKRZSA-N 375.454 0.596 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C1 758640604 IGNRSLVDFZNBKM-NEPJUHHUSA-N 395.503 0.100 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CCN1C1CC1 759034402 ZATYTEGQVZQNQJ-INIZCTEOSA-N 379.424 0.464 30 10 GCEE C#CCN(C(=O)NCc1ccc(OC)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 774168086 KMMHAQFAKCVMSS-AWEZNQCLSA-N 394.449 0.814 30 10 GCEE C=CCOc1cccnc1C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 775112267 IGTXFSSMBQITLS-UHFFFAOYSA-N 399.407 0.641 30 10 GCEE O=C(N=c1cc[nH]cc1Br)NCCN/C(O)=C1\N=CC=CC1=O 780622499 APQHXUOEWBWSDF-OUKQBFOZSA-N 380.202 0.914 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 783479403 JYLDSYAFTAREQO-OAHLLOKOSA-N 376.434 0.785 30 10 GCEE CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 785186927 RUJDPRMLOBGDOA-LBPRGKRZSA-N 394.453 0.958 30 10 GCEE CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]2C 787774001 DKEVCOBPKDBOAX-CYBMUJFWSA-N 396.455 0.800 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C 789721599 QFJJZPUAOKBFMF-HNNXBMFYSA-N 395.481 0.727 30 10 GCEE C#CCN(C(=O)Nc1ccc(OCC(=O)NC)cc1C)[C@H]1CCS(=O)(=O)C1 797679848 JHDJBCSKWZOOHB-AWEZNQCLSA-N 393.465 0.774 30 10 GCEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N(C)C[C@H]1COc2ccccc2O1 798741780 WNOXICBKNJSUQS-RDBSUJKOSA-N 399.407 0.941 30 10 GCEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804370231 KVZIRAFMRWJSCZ-SKDRFNHKSA-N 391.371 0.903 30 10 GCEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 805116931 WOASGBGXJIUYII-LLVKDONJSA-N 390.462 0.246 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(F)c(F)cc1OC)[C@H]1CCS(=O)(=O)C1 810393128 JLHCWGAGTNELDH-JTQLQIEISA-N 386.376 0.561 30 10 GCEE C#C[C@@H](NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C1CCOCC1 822181938 DJPWQVXAZHPYCE-CQSZACIVSA-N 381.454 0.443 30 10 GCEE C#CCN(CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 824990653 UVNNAWFRUPHSRT-DRIZGCCESA-N 393.528 0.778 30 10 GCEE CN1CCc2c(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cccc2C1=O 825321440 XWOXGCLLQUCUSQ-MSUUIHNZSA-N 383.408 0.963 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccnn2C)cc1 846616354 IWZOIKMCJPAHCE-QGZVFWFLSA-N 388.449 0.545 30 10 GCEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 847379861 XDHSOQDIBSCOHQ-LLVKDONJSA-N 390.870 0.250 30 10 GCEE C=CCCn1cc(COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nn1 848748184 JAGILADTPLWIMA-OAHLLOKOSA-N 377.445 0.078 30 10 GCEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccccc1)C1CCOCC1 852647148 ONVCYQUBHFHDAF-QGZVFWFLSA-N 379.482 0.834 30 10 GCEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C1CCOCC1 852648252 JMUMVBNFOIFPAY-MRXNPFEDSA-N 389.456 0.677 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 862199905 QQIRKIQYCUCVCU-CQSZACIVSA-N 383.404 0.786 30 10 GCEE Cn1cc(S(=O)(=O)NN=C[C@@H]2CCc3ccccc3C2)c(=O)n(C)c1=O 863103801 LDEXHWPSTBORBE-GFCCVEGCSA-N 376.438 0.153 30 10 GCEE C=CCn1c(Cc2noc([C@H](F)[C@H]3CCNC3)n2)nnc1N1CCOCC1 863668163 QUEBWEKEZNEJBC-SWLSCSKDSA-N 377.424 0.895 30 10 GCEE C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 867339313 GCNXVWXJUMWDEL-SSDOTTSWSA-N 380.191 0.647 30 10 GCEE C#CCN(CC(=O)N(C)C[C@@H]1CCCOC1)CC(=O)N(C)C[C@H]1CCCOC1 874443490 LHQBKOUDZQKYQQ-KDURUIRLSA-N 393.528 0.692 30 10 GCEE C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCC(c2nnnn2C)CC1 908745874 PFSRGWBLKATDBG-UHFFFAOYSA-N 381.444 0.737 30 10 GCEE N#Cc1cccnc1N1CCN(S(=O)(=O)C[C@@]23CCCN(CC2)C3)CC1 913874010 AHMKNCIYKNIWRE-SFHVURJKSA-N 375.498 0.891 30 10 GCEE C#CC1(F)CN(C(=O)c2cccc([C@@H](NC(C)=O)C(=O)N3CC(F)(C#C)C3)c2)C1 919974000 GCINBAKHZYNHNP-QGZVFWFLSA-N 399.397 0.845 30 10 GCEE N#C[C@]12CN(C(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)C[C@@H]1CS(=O)(=O)C2 924513077 WGFNNTQKOQIBML-HNCHTBHHSA-N 381.376 0.676 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 942052369 PMIDQLYDKBMONL-DMRZNYOFSA-N 385.424 0.505 30 10 GCEE CC(C)[C@@]12O[C@@H]1[C@]13O[C@H]1C[C@H]1C4=C(CC[C@@]1(C)[C@@]3(O)[C@@H](O)[C@H]2O)C(=O)OC4 1078027038 FMCYKVIHEKZEQY-ITNXINHCSA-N 378.421 0.058 30 10 GCEE Cc1nn(CCO)c(C)c1C=NNc1nc(S[C@@H](C)C(=O)N(C)C)n[nH]1 1084000485 VQCPWBNELQLJPH-NSHDSACASA-N 380.478 0.625 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCCc1nnc(SC)n1CC(C)C 1118060753 BOOSTYMXAJRHAR-CQSZACIVSA-N 393.513 0.565 30 10 GCEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1121601858 KQTSSSFFMDUFTL-MRXNPFEDSA-N 384.488 0.892 30 10 GCEE CCN(CC)C(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1 1189868870 HCEUXZBXTCICGX-UHFFFAOYSA-N 397.435 0.848 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 1261804107 XDTWVLWTWNIBFE-MRXNPFEDSA-N 386.452 0.979 30 10 GCEE C#CCN(C(=O)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C1CCN(C)CC1 1262235062 UBZBFSBWKPHPOY-UHFFFAOYSA-N 398.442 0.783 30 10 GCEE C#CCN1CCC(c2nnc(N3CCN([S@](C)(=N)=O)CC3)n2CC=C)CC1 1262975718 MXXLVUIGMRPWRC-MHZLTWQESA-N 391.545 0.990 30 10 GCEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1286335849 MVCQCLWCYPRJGU-UHFFFAOYSA-N 381.502 0.798 30 10 GCEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286347852 QSPJPZDVVMAVRF-OXQOHEQNSA-N 386.500 0.944 30 10 GCEE N#CCSCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C1 1290493761 XWFXXNTZUFUFLE-BCHHIPDFSA-N 375.494 0.973 30 10 GCEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300412259 ZSZUVQKOGIKJJG-KSSFIOAISA-N 391.497 0.453 30 10 GCEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2cncn2)nc1 1300529154 GZLCWCGZRUHSHN-UHFFFAOYSA-N 398.434 0.775 30 10 GCEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC2(O)CCOCC2)cc1 1316532236 XMHUMZQCWACODH-UHFFFAOYSA-N 382.424 0.294 30 10 GCEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C 1321218012 PKLCOULAAUDGMJ-GFCCVEGCSA-N 390.473 0.019 30 10 GCEE CCN(CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1324540836 OGIBPBVZRAMSLJ-HUUCEWRRSA-N 387.488 0.232 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 1325457721 DNZXTZLKLXUPEG-RBUKOAKNSA-N 385.464 0.345 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1325978130 DZSQIPNDYLSIIN-CABCVRRESA-N 379.457 0.610 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 1327314090 NOBFQJFPYUVHGM-ZCNNSNEGSA-N 399.491 0.902 30 10 GCEE CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1327614870 WIXXCDIXXGIZEM-KFWWJZLASA-N 377.445 0.726 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1CC2(C1)CC2(F)F 1329147570 QYNHZRDMFZZUCY-DLGFLZQMSA-N 390.394 0.689 30 10 GCEE C=CCCC[C@H](C)NC(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1330198251 XFLSYNCPIVAKCS-KXBFYZLASA-N 381.473 0.324 30 10 GCEE C[C@@]1(C(F)F)CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 1330635200 VBDWWGGIZRVABU-SFHVURJKSA-N 393.394 0.484 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CCC34CCOCC4)CC2)c1 1331999428 GQTORUMUQIVJLL-QGZVFWFLSA-N 397.479 0.925 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F)[C@H]1CCS(=O)(=O)C1 1333223814 IBTOBFQEHPWUKI-JGGQBBKZSA-N 394.424 0.223 30 10 GCEE C=CCn1c(-c2nn[nH]n2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1340588184 KYCOSAOAIPAZHZ-HUUCEWRRSA-N 386.508 0.639 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(O)n(C)n3)n2CC)n1 1341244164 XZXFZVMBIFRLEI-UHFFFAOYSA-N 384.444 0.887 30 10 GCEE C#CCN(c1nnc([C@@H](O)c2cccc(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 1341922575 SLPJTDRHXVIHME-HOCLYGCPSA-N 390.465 0.532 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1342061361 GIQGEMLAJUNJJX-ZNMIVQPWSA-N 375.477 0.242 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@](C)(O)c2cnccn2)n1C[C@@H]1CCCO1 1343747928 CDDYEXIAPPHAMN-JXFKEZNVSA-N 380.452 0.966 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 1345688724 MHDQMZOADSZBOH-HOTGVXAUSA-N 380.466 0.555 30 10 GCEE C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1351921625 VUNWNKNTOPXUFK-GDZNZVCISA-N 379.486 0.329 30 10 GCEE C#CCOc1ccccc1Cn1nnnc1N1CCN(c2nncn2C)CC1 1352481496 OQJPRKJPPDOZNK-UHFFFAOYSA-N 379.428 0.189 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1357930979 DDKKXUDFBNJUKS-PVIGHVEUSA-N 392.374 0.712 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@@H]1CCCO1 1358345643 CTCJDPYSKQXFRJ-GJZGRUSLSA-N 389.435 0.932 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359333457 YOEGAHYZRNEEFZ-HUUCEWRRSA-N 384.502 0.826 30 10 GCEE CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456612966 KYJPVNSEIRWEID-YVEFUNNKSA-N 385.486 0.934 30 10 GCEE C#CCC1(NCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCOCC1 1460799741 GQVWYNRJGUOEED-CQSZACIVSA-N 391.493 0.774 30 10 GCEE CC(=O)N[C@@](C)(C(=O)N1CCO[C@@](C)(C#N)C1)c1ccc(S(C)(=O)=O)cc1 1463098390 ZNCQRZPTRZDONA-ZWKOTPCHSA-N 393.465 0.582 30 10 GCEE COc1cc(N)c(C(=O)NCC2CCN(CC#N)CC2)cc1S(C)(=O)=O 1465128231 UWBSDFFVWDUVBC-UHFFFAOYSA-N 380.470 0.646 30 10 GCEE N#Cc1ccc(C2CCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)nc1 1470340383 AOULEAGJIJOMGY-CQSZACIVSA-N 381.396 0.673 30 10 GCEE CONC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1478403120 IBEHEKCNGJKEEI-UONOGXRCSA-N 395.460 0.845 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1490653398 TYXVKLUMSAIJPM-OWYFMNJBSA-N 389.452 0.365 30 10 GCEE CN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503372703 YTCSZMMZYRDDAR-UHFFFAOYSA-N 392.423 0.896 30 10 GCEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1507557417 QKSDUDBVPYBVIM-CABCVRRESA-N 399.517 0.543 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508080140 KWYZQUSJTRNDDW-LIRRHRJNSA-N 386.456 0.960 30 10 GCEE CC(C)(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1508690211 MVIDHMCJTXFKJI-KGLIPLIRSA-N 397.501 0.724 30 10 GCEE C#CCN(c1nnc(CN2CCCC2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1518362841 MFNXMUHDHJSQTA-INIZCTEOSA-N 377.514 0.911 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)N2CCN(C)CC2)n1 1528433937 LTGSSWRKYLULBR-KRWDZBQOSA-N 376.505 0.310 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCOC2CCOCC2)cc1 1538290370 MDFXMNJJCKGLBS-UHFFFAOYSA-N 381.454 0.804 30 10 GCEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCOCC1 1539200808 OYAUYSIQZNAHBX-ULQDDVLXSA-N 377.489 0.792 30 10 GCEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(OC)CCC1 1539239106 HOMGWWDMQVNJBL-HNNXBMFYSA-N 393.513 0.920 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](c4nc[nH]n4)C3)C2=O)cc1 1557124090 ZXBOUAKWFZPUKG-ZFWWWQNUSA-N 393.407 0.897 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)Cc2ccccc2F)C1=O 1557752678 XIGSZYPERUYNJD-GOSISDBHSA-N 377.372 0.212 30 10 GCEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C(=O)OC)c1cccc(C#N)c1 1560059105 WGMCNFKQYFWVQH-HOCLYGCPSA-N 380.422 0.434 30 10 GCEE CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c(C)cccc2C#N)CC1 1561229667 CFICWCDPMLKJOQ-UHFFFAOYSA-N 378.454 0.226 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 1563098727 BIUWSVSBBWYPQM-UHFFFAOYSA-N 395.416 0.323 30 10 GCEE CCOC(=O)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1 1566083814 RGHVIJTVQACMDM-OAHLLOKOSA-N 384.392 0.674 30 10 GCEE CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1COC[C@@H]12 1572872300 ZRMWKCJBIDNXAP-LTIDMASMSA-N 387.480 0.233 30 10 GCEE C=CCCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CCC1=O 1574450658 JMJDDXDATYSICE-TUVASFSCSA-N 377.441 0.365 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC 1587638667 GRFCYCJIXORHRS-ZIAGYGMSSA-N 385.490 0.105 30 10 GCEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1593696231 LTSSPUYHBQBZMF-AWEZNQCLSA-N 387.506 0.708 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1594680100 NGEWSQOVEVMLLG-ZIAGYGMSSA-N 398.533 0.817 30 10 GCEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1595050488 JHVUXLADSSMMTD-JSGCOSHPSA-N 379.486 0.819 30 10 GCEE C[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC(=O)N1 1596521440 IOEZBIRKSRXCQP-IFXJQAMLSA-N 383.408 0.548 30 10 GCEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H](CC#N)C(F)(F)F 1596782416 BOXOWFDSCICSKF-SECBINFHSA-N 381.332 0.926 30 10 GCEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1611702099 NYSRQKKLEMWGGT-ZOCIIQOWSA-N 381.473 0.590 30 10 GCEE CS(=O)(=O)NC[C@@H]1OC[C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1614929903 JFHKSLBBPMCGEX-IKGGRYGDSA-N 377.466 0.513 30 10 GCEE CCn1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1=O 1615728080 AQAJGRQJHWQURA-MRXNPFEDSA-N 394.439 0.637 30 10 GCEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOCCCO)c1 1620349420 QGFWEBWPZHYFGD-QGZVFWFLSA-N 398.467 0.917 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3ccnn3C)CC2)CC1 1620675881 FVZGEEHTKHINME-IBGZPJMESA-N 387.532 0.230 30 10 GCEE CN(Cc1nncn1C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1625626769 CUNQJWHMUOOLAU-CQSZACIVSA-N 381.396 0.550 30 10 GCEE 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CC1(C)OB(c2cc(C(=O)NC[C@H]3CCO[C@H]3C(=O)O)ns2)OC1(C)C 2284427034 UXAMARIKVUJCRY-BXKDBHETSA-N 382.247 0.662 30 10 GCEE Cn1nc(C(=O)N2CCSC[C@@H]2C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284462280 FUXOECBTOIUYNQ-LLVKDONJSA-N 381.263 0.362 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H](O)[C@@H](CC(=O)O)C2)OC1(C)C 2284471862 WQVVMEWZFRNCOC-GXSJLCMTSA-N 382.247 0.350 30 10 GCEE C[C@H](C#CC(=O)Nc1nnc(S(N)(=O)=O)s1)NC(=O)OC(C)(C)C 2302419179 WBXGYBSADOVMAJ-SSDOTTSWSA-N 375.432 0.041 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342052897 FYHPQNZIYXFMDJ-RBSFLKMASA-N 386.514 0.902 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)nn1 2367795306 LRCHUDHMLZFPCJ-AWEZNQCLSA-N 398.485 0.634 30 10 GCEE C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 20569047 KKJCABAYIMZDBQ-HXUWFJFHSA-N 394.387 0.854 30 10 GCEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 27901679 GJMQJSPUXGSCGT-OAHLLOKOSA-N 387.484 0.892 30 10 GCEE C#CCN(Cc1nnc2n(C)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1 104092924 XKJUYIUFRYHWMA-ZDUSSCGKSA-N 385.449 0.204 30 10 GCEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 278409886 VQNRTBWUVBOYTI-IUODEOHRSA-N 383.426 0.971 30 10 GCEE C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 289123522 QLUJQLIKOUMHGA-INIZCTEOSA-N 381.436 0.661 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCC12CCOCC2 349528039 SOUQUOVQTPDIFC-UHFFFAOYSA-N 393.531 0.525 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CCN1C1CC1 369219440 OBDDFIJMDFVOTR-GOSISDBHSA-N 397.479 0.656 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cn1 372807806 ZXNROEXYKUOSBX-UHFFFAOYSA-N 394.439 0.567 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1F 374014804 QLDDUKYZARFKBB-ZIAGYGMSSA-N 397.428 0.020 30 10 GCEE CC(=O)NCCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H](C)C(=O)OC(C)(C)C 409904848 FTUSDKPYBVQRQQ-NWDGAFQWSA-N 378.433 0.406 30 10 GCEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCO[C@H](C4CCC4)C3)C2)nc1 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N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](Oc4ccccc4)C3)C2)c(=O)nc1O 599109307 SOCLNIVKNCLESB-SAZUREKKSA-N 381.392 0.997 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)C1=O 600147783 OROJEIBCMJNUPE-GOSISDBHSA-N 379.413 0.686 30 10 GCEE N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 600758271 XRAULEOCLUHJQK-HOTGVXAUSA-N 379.424 0.604 30 10 GCEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(=O)OCC)C1 601871164 NTRAYKKDXWHPNS-GOSISDBHSA-N 377.445 0.859 30 10 GCEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](C#N)C2CC2)c1 611252441 TZEZKGVASMDXMB-MRXNPFEDSA-N 392.481 0.805 30 10 GCEE COC(=O)C(C)(C)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1 619712055 YOKMOYVVFSSQRC-CABCVRRESA-N 381.454 0.986 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCCN(c2nc(CC)ns2)CC1 658690078 JCSIZIDMMNYYBG-UHFFFAOYSA-N 381.502 0.848 30 10 GCEE C=CC[C@]1(C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)CCCN1 662599431 IZWXBHVWURWJLG-GOSISDBHSA-N 381.498 0.926 30 10 GCEE C=CCn1c(N2CCN(S(C)(=O)=O)[C@H](C)C2)nnc1C1(OC)CCOCC1 669006518 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C[C@H](C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)n1cnc(C#N)n1 409819984 NUIUFLVUOQQFHQ-CYBMUJFWSA-N 375.477 0.454 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2CCNC[C@H]2c2ccccc2OC)CC1 419736862 XLYNGJFSAPFPKX-SFHVURJKSA-N 386.496 0.935 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCOC)Cc2ccnn2C)cc1 427906903 JCNJUDKZJGZLGC-UHFFFAOYSA-N 399.451 0.950 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 438013098 OAYYQEUKAKFMMQ-WMZOPIPTSA-N 380.489 0.154 30 10 GCEE COC(=O)c1nscc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 447199033 IEQJNDNKOQXRGD-UHFFFAOYSA-N 393.450 0.707 30 10 GCEE CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)C(=O)Nc4cnn(-c5ncccc5C#N)c4)[C@@H]1[C@H]3C2 507303641 MCEKZWVJZBANHJ-GMBUGEKQSA-N 392.419 0.959 30 10 GCEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 509010207 HNTAGRMEGMCWLB-CQSZACIVSA-N 396.473 0.730 30 10 GCEE CCN(CC)CCS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 518444112 PFFIPJXZHHCMDY-KRWDZBQOSA-N 378.498 0.920 30 10 GCEE N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 527385916 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387.436 0.952 30 10 GCEE C#CCN(c1nnc(-c2cc[nH]n2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 829272514 XEAYREUODLPCLX-CQSZACIVSA-N 392.485 0.722 30 10 GCEE C[C@H]1CC(=NC(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)NO1 831398373 BALNQIVNNMTIKO-WDEREUQCSA-N 387.458 0.507 30 10 GCEE C#C[C@H]1COCCN1C(=O)[C@@H](CCCC(=O)N1CCOC[C@H]1C#C)CCOC 838275646 ZNEDKBOKLQMQDD-OTWHNJEPSA-N 390.480 0.531 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@](C)(OC)C2)n1 839370122 SRQLASRSMWVKKY-IBGZPJMESA-N 376.457 0.519 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCSC[C@H](C(=O)OC)C1)c1cc[nH]n1 840564159 CGOYJWACOSZMRI-LLVKDONJSA-N 398.441 0.058 30 10 GCEE C#CCN1C(=O)[C@]2(NC(=O)[C@H](COC)N2C)c2cc(Br)ccc21 840834425 VUUBVVUMHNRIFE-BBRMVZONSA-N 378.226 0.658 30 10 GCEE C#C[C@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 848285660 WMGRFHNIRZOPGJ-JTQLQIEISA-N 378.230 0.764 30 10 GCEE COCCCn1nc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)ccc1=O 849853678 ZUPRMVMXWDURKB-UHFFFAOYSA-N 384.392 0.625 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Cn2ccnn2)C1 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CN(C1CS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 920184399 ODRKUURSVLMHDJ-UHFFFAOYSA-N 379.257 0.738 30 10 GCEE C=CCO[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 1116566924 IACAGQZGWQXEEV-JSGCOSHPSA-N 381.454 0.256 30 10 GCEE C=CCOCCNC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 1118623161 RHOVMJZCQASLAL-UHFFFAOYSA-N 398.257 0.614 30 10 GCEE CCO[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1118698702 LRUPZJINCZEFIF-ULQDDVLXSA-N 384.436 0.459 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](C)c1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1119935551 FUKXYXRVXBDYJT-CJNGLKHVSA-N 390.461 0.448 30 10 GCEE C=CCn1c(N2CCO[C@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)COC 1121495928 RYVVAGCCCLGMEW-QGZVFWFLSA-N 384.502 0.782 30 10 GCEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)[C@H](C)C2)nnc1C1(CO)CCC1 1122517926 BUCMJKZQHBKAMH-CQSZACIVSA-N 383.518 0.738 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1=O 1132164465 VZFUSRYJJACWJM-RYUDHWBXSA-N 392.412 0.183 30 10 GCEE N#Cc1cccc(OCCCCC(=O)NC[C@]23COCCN2C(=O)COC3)c1 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398.533 0.769 30 10 GCEE C=CCC1(O)CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1308088302 GOQKQUFGGXGQKN-HNNXBMFYSA-N 395.525 0.784 30 10 GCEE C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323419088 DULDCECCSBIMKC-MMEFHMBZSA-N 376.457 0.960 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1325661570 FKHOLPNAVFAIHV-HNNXBMFYSA-N 378.450 0.269 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F 1326831422 HGPBVSQDWCYESU-PXAZEXFGSA-N 390.394 0.643 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)C2=O)cc1 1327429222 YXXCUYDAEKGROM-OCPXJKSDSA-N 386.433 0.495 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2C[C@]34CCCC[C@]3(COC4)C2)CC1 1327799006 FTIYGAQQQOVXFW-BGYRXZFFSA-N 389.452 0.711 30 10 GCEE COc1cc(CNC[C@@H](O)CC2(C#N)CCOCC2)ccc1OCC(N)=O 1329596887 SGWROSPGQPVUAA-HNNXBMFYSA-N 377.441 0.720 30 10 GCEE C=C1CCC(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 1333304844 QTLKVEHNTINZFV-UHFFFAOYSA-N 376.501 0.616 30 10 GCEE 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30 10 GCEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1342038364 DAEVQMQKVUWPJY-SJORKVTESA-N 376.505 0.626 30 10 GCEE C=C(C)Cn1c(N2CCN(c3nncn3C)CC2)nnc1[C@]1(C)CCC(=O)NC1 1343907650 PZLSQKBDYDZGMY-LJQANCHMSA-N 399.503 0.477 30 10 GCEE C=C[C@H](O)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1cccs1 1344692351 QJKCEGXWNVJDLO-AWEZNQCLSA-N 377.470 0.902 30 10 GCEE C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1345901979 QEEYLQMWSPRJAK-CALCHBBNSA-N 391.501 0.911 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)NC(=O)NC 1347848977 RGVPTQHFISMXAW-ZSAUSMIDSA-N 378.473 0.533 30 10 GCEE CN(CCOCCN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1348167733 AZKMZQNXKMBEOA-AWEZNQCLSA-N 398.460 0.079 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@H](C(=O)NCCCC)CC[C@H]2C)CC1 1352931177 MHTKIDOFEMYNDT-IAGOWNOFSA-N 391.512 0.907 30 10 GCEE C#CCCCNC(=O)C(=O)N1CCn2ncc(I)c2C1 1354579284 JIGWDBSMKWOLGD-UHFFFAOYSA-N 386.193 0.360 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1355919716 KBRLRTQUEXOLSG-IKGGRYGDSA-N 376.505 0.360 30 10 GCEE C#CCN(c1nnc(CC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358964020 RSKDBCJMDXOVSK-GFCCVEGCSA-N 380.499 0.675 30 10 GCEE Cn1cc(C(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1456577080 LZSLUKFAUWIXIM-UHFFFAOYSA-N 389.437 0.238 30 10 GCEE C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NC1(C#N)CCC1 1458871177 AUNMCMZRGCFUAV-RYUDHWBXSA-N 397.526 0.835 30 10 GCEE CCOC(=O)[C@@](C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1 1466922779 DUQAVMJXANONMX-IBGZPJMESA-N 384.392 0.458 30 10 GCEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 1467117949 GTRAQMNVVLIOQF-VHSXEESVSA-N 389.231 0.649 30 10 GCEE N#C[C@@]12CN(C(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1472035807 OPVVTAKVIXLXOR-MNXVOIDGSA-N 396.387 0.367 30 10 GCEE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 1472186248 SVGATMNUGRMUPZ-AWEZNQCLSA-N 376.438 0.599 30 10 GCEE C#Cc1ccc(C(=O)NCCN(CCOC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nc1 1488541455 ZBUIKDCSKRQHPN-LHHMMCJZSA-N 383.448 0.691 30 10 GCEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1505314157 VAYALKRQTWLKHV-IXDOHACOSA-N 396.451 0.668 30 10 GCEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CC=CCC1 1508411012 IAESPLOLWVYVDH-GJZGRUSLSA-N 395.533 0.746 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCN(c2cccnn2)CC1 1515910966 BFSWDTHKDFQEKQ-MRXNPFEDSA-N 384.488 0.974 30 10 GCEE C#CCN(c1nnc(C)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1539207198 ZXSHZJQOYJETHU-JKSUJKDBSA-N 388.497 0.987 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1539409165 QISFPVHRISJNRJ-CQSZACIVSA-N 390.469 0.256 30 10 GCEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540863387 VPHVOWPLLHZHPH-JKSUJKDBSA-N 376.505 0.861 30 10 GCEE C[C@]1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1542019383 OEWKNWKWBFXVCS-LPHOPBHVSA-N 384.440 0.798 30 10 GCEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccoc1 1588574341 FBFKAYLZWPFRKY-ZDUSSCGKSA-N 381.458 0.616 30 10 GCEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1594783623 GMEMZJKRWDCBOK-LJQANCHMSA-N 392.504 0.971 30 10 GCEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595562268 RYKPUIBKULNGHC-MRXNPFEDSA-N 397.483 0.529 30 10 GCEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1611499826 JHOAWYIBVAZYCB-MSOLQXFVSA-N 384.436 0.585 30 10 GCEE COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1619626655 XIJRXUWAVZLIRP-GJZGRUSLSA-N 377.424 0.853 30 10 GCEE CCn1c(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)nc2ccccc21 1628013664 BVKXNSPUODQQOY-UHFFFAOYSA-N 380.408 0.939 30 10 GCEE CCN(Cc1c(CO)cnc(C)c1O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1629899114 XYPZJESJDUHGKK-ZPHPHTNESA-N 388.424 0.853 30 10 GCEE C=CCNc1ncc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)s1 1640918407 DYBHPILQHOBSKK-UWVGGRQHSA-N 393.425 0.049 30 10 GCEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@@H]43)CC2)o1 1643299756 JNTMBARYYCVBEL-JKSUJKDBSA-N 387.440 0.577 30 10 GCEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 1644087199 HBAICNXTFBUEOT-UHFFFAOYSA-N 382.298 0.531 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](O)(C(=O)OC)C2)ccc1F 1644434624 KHXJDRBAUPPDLI-INIZCTEOSA-N 386.401 0.040 30 10 GCEE N#CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C(F)(F)F 1645934510 KAUIPQPTOGITDH-VXGBXAGGSA-N 388.321 0.689 30 10 GCEE Cc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1S(=O)(=O)NCC#N 1648588479 HQAYESWJYNEXLY-HNNXBMFYSA-N 394.497 0.372 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(=O)OC)[C@H]2CCOC2)c1 1648879239 GURUJRUGIZYMNT-HOCLYGCPSA-N 396.465 0.706 30 10 GCEE C=CCn1c(S)nc2cc(C(=O)NCCn3ccc(O)nc3=O)ccc2c1=O 1651837377 YVSRTCKXTFQUTA-UHFFFAOYSA-N 399.432 0.564 30 10 GCEE CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2CC#N)CC1 1662008950 IAOSYXXKQDNEBM-UHFFFAOYSA-N 378.454 0.112 30 10 GCEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(C2CCC2)C1 1681486833 HHSZZCVONOFGDU-KGLIPLIRSA-N 388.472 0.773 30 10 GCEE C#CCN1CCC[C@H]1C(=O)N(C)CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1687579124 BOBSVIJYXMGMBZ-XLAORIBOSA-N 377.485 0.100 30 10 GCEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCn1cc(C)cn1 1690106545 ZRCLSJCXJUKMMK-UHFFFAOYSA-N 385.472 0.692 30 10 GCEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C(=O)NC 1690742332 NHEVBBODRAXISK-CHWSQXEVSA-N 380.518 0.967 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1691003279 FIUQALQJGBVOOW-CABCVRRESA-N 376.461 0.627 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1OCC 1702570773 QFGFLGNIFMPITH-ZJPYXAASSA-N 381.517 0.897 30 10 GCEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H](C)NC(C)=O)CCOCC1 1702957013 MEWQEYRUBVMABN-SVGFKBNWSA-N 375.469 0.579 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)n1 1705477997 VCXBDPNBICQHQR-CHWSQXEVSA-N 394.505 0.108 30 10 GCEE C#CCN(c1nnc(C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705560754 KCGNUHOIIFFCOF-HNNXBMFYSA-N 376.486 0.612 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)CC1 1705643409 FBXSSDWAMOUQBO-MRXNPFEDSA-N 398.467 0.908 30 10 GCEE CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1706620778 XEUKWOHGRKERNS-GFCCVEGCSA-N 385.428 0.596 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCCNS(=O)(=O)CC 1722412372 YWCKCXAZHGDJGW-OAHLLOKOSA-N 383.518 0.961 30 10 GCEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1722535261 CWHXFQNSGUGVOZ-OAHLLOKOSA-N 390.488 0.660 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1740531593 OYYAJZFCDXVHPJ-CQSZACIVSA-N 384.440 0.925 30 10 GCEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1740709463 NVKLQRMXLAHGBX-LBPRGKRZSA-N 387.531 0.480 30 10 GCEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1740886010 TWOZBPGQNQOZQM-LSDHHAIUSA-N 390.488 0.784 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[C@H]2C)CC1 1749009006 DYPQSQCWXNWXQE-KBMXLJTQSA-N 384.484 0.851 30 10 GCEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1749353966 FTIHWUSAMBASPF-OLZOCXBDSA-N 398.533 0.802 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1757655773 SUSGQUYDMOBNQQ-AIANPOQGSA-N 386.514 0.613 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(Cl)n(C)n1 1757816939 ILQNWUORJSQWQC-WZRBSPASSA-N 377.832 0.075 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1760117942 VZCRHIHJTNQNJM-LUFVGAHGSA-N 384.527 0.549 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNS(C)(=O)=O 1760218306 COODJGWHTUVLHD-OAHLLOKOSA-N 379.486 0.532 30 10 GCEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760387095 GTQYFFFIZJAKOH-UONOGXRCSA-N 379.486 0.820 30 10 GCEE O=C(NCC#CCN1CCOCC1)c1c(Br)cnc2[nH]cnc12 1850016896 PXHQGOKCOJRMBW-UHFFFAOYSA-N 378.230 0.786 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(Cn4ccnc4)CC3)C2=O)CC1=O 1854678084 PPLIEZCYHNGVAG-ROUUACIJSA-N 399.495 0.757 30 10 GCEE N#CCCN1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)C1 1856033486 WCIFHTXPQDNSBJ-UHFFFAOYSA-N 376.363 0.621 30 10 GCEE C[C@@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCN1CCC#N 1856197635 UZGXUTIOUGXZIP-CYBMUJFWSA-N 378.454 0.523 30 10 GCEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCCCO3)C2)C1 1856391605 WDZZLAMGJBJGDJ-KSSFIOAISA-N 384.436 0.960 30 10 GCEE Cc1nc(C)n(CCC(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)n1 1857164574 MOFXNXOAMSDLEX-QGZVFWFLSA-N 387.488 0.334 30 10 GCEE CCOc1ccc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)nn1 1857177682 GXGFEFWXNGGGSC-HNNXBMFYSA-N 386.456 0.538 30 10 GCEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CNCC(=O)O)sc2c1 1866109793 XOPSHGQTTJGAQT-UHFFFAOYSA-N 384.439 0.373 30 10 GCEE COCCCn1c(C(=O)NCC#CCN(C)C)cc2c(=O)n3ccccc3nc21 1889511151 FWGAGWJPGWWCGM-UHFFFAOYSA-N 395.463 0.981 30 10 GCEE CCn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=N)[nH]1 2106651136 LOLQOWDGWRPALD-NSHDSACASA-N 384.462 0.449 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)[C@@H](O)C1 2116330328 NURMPAJCZAFSHX-RDBSUJKOSA-N 388.490 0.427 30 10 GCEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)N1CCC(C#N)CC1 2118170079 KXIWRKXJKFYXCK-UHFFFAOYSA-N 390.506 0.988 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CC(C#N)C2)C[C@@]12CCOC2 2118171298 QPTLHOIZGHOOHT-XJKSGUPXSA-N 386.474 0.445 30 10 GCEE C#CCN(C(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCS(=O)(=O)C1 2123461033 JYRSNYYTIKXYDB-XQLPTFJDSA-N 382.482 0.748 30 10 GCEE CC1(C)OB([C@@H]2[C@@H]3CN(C(=O)[C@H]4CCCN4S(C)(=O)=O)C[C@@H]32)OC1(C)C 2163715064 CDTPUJAUCYQDLJ-XJFOESAGSA-N 384.307 0.961 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[C@@H]1CO 2178914729 PXYWITUFKWUHSA-TZMCWYRMSA-N 396.469 0.849 30 10 GCEE COC[C@@]1(C(=O)N=c2ccc(C#N)c[nH]2)CN(C(=O)OC(C)(C)C)CCO1 2181047377 OVOLYJMAPDWOGZ-GOSISDBHSA-N 376.413 0.966 30 10 GCEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)c1nnn(C)n1 2186587432 RQMIOSKUBPPMSX-SECBINFHSA-N 378.267 0.799 30 10 GCEE C=CCN1CCN(C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1=O 2236898652 QFNHVCNOERYNGD-KUHUBIRLSA-N 381.473 0.994 30 10 GCEE 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C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)nn1 1334320307 QQSRPMGSUSSEMK-TXEJJXNPSA-N 388.394 0.564 30 10 GCEE C=CCCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1334652811 RJVMWZKBKVELAM-NEXGVSGLSA-N 378.469 0.471 30 10 GCEE C=CCn1c(C2CCOCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1334897275 CNXUUJICQMWMJM-ZIAGYGMSSA-N 378.429 0.757 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnn4)CC3)CC2=O)cc1 1335330931 ZLQLGXAQIMUQOA-OAHLLOKOSA-N 377.408 0.445 30 10 GCEE C=CCn1c([C@@H]2CCCN2C(C)=O)nnc1N1CCN([S@](C)(=N)=O)CC1 1338799993 XJXAPDQGMZZJPB-RXBISOJRSA-N 381.506 0.861 30 10 GCEE C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1339408077 YHIAFNPTDCVDLG-AHIWAGSCSA-N 379.486 0.281 30 10 GCEE C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC)CCOC1 1339542434 SRJWMHLAOBMLSO-LJQANCHMSA-N 392.504 0.373 30 10 GCEE C#CCN(C(=O)C(=O)NCCOc1ccc2c(c1)OCO2)C1CCN(C)CC1 1340568700 KEYRSBGFPMPSSJ-UHFFFAOYSA-N 387.436 0.466 30 10 GCEE C=CCn1c(-c2nc(COC)n(C)n2)nnc1N1CCO[C@@]2(CCOC2)C1 1340764702 RHYVJHYWEZPGRR-KRWDZBQOSA-N 375.433 0.402 30 10 GCEE C#CCN(c1nnc(CN2CCCCCC2=O)n1CC)[C@@H]1CCS(=O)(=O)C1 1342972619 VDXJYAPFGUSQQV-OAHLLOKOSA-N 393.513 0.827 30 10 GCEE C=C(C)Cn1c(COCCOC)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1343787509 PVORLCJRGRMENN-PBHICJAKSA-N 384.502 0.888 30 10 GCEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)CC1 1347162212 ZQKMQSGMPLHTAB-WOPDTQHZSA-N 397.469 0.705 30 10 GCEE COCC1(O)CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1349591701 KWTLTHRHXACQIS-INIZCTEOSA-N 375.425 0.050 30 10 GCEE C=C(C)C[C@H](CO)NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1455205062 RDOLBZAFHPTSPN-QAPCUYQASA-N 382.482 0.885 30 10 GCEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1463085956 BAXNTPBYDAJKRS-KRWDZBQOSA-N 379.438 0.303 30 10 GCEE Cn1cc(CNC(=O)NC[C@@]2(OCCO)CCOC2)c(-c2ccc(C#N)cc2)n1 1469755989 JOALFZPUESFWEB-FQEVSTJZSA-N 399.451 0.926 30 10 GCEE N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 1473038324 BCZZGIYKGQIDIL-UHFFFAOYSA-N 394.844 0.336 30 10 GCEE C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1OCC 1479543563 XQEROKNJLKJVMN-FCGDIQPGSA-N 384.480 0.388 30 10 GCEE C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1480214675 KBZPIGXLCACLPC-WGGGBPLMSA-N 378.473 0.439 30 10 GCEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)CC(C)C 1490645963 BIXWBADEFKVDOF-YVSFHVDLSA-N 377.485 0.825 30 10 GCEE C#CCN(c1nnc(C2CC2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507631708 SAEOYNRZWFCOAS-AWEZNQCLSA-N 379.486 0.307 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N(C)C)CC1 1507715482 BLYBGHNHJZYOBO-MRXNPFEDSA-N 389.548 0.902 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1507716442 RNXFAHCHCVURAV-QGZVFWFLSA-N 387.532 0.512 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508079822 DLPQXDYHTYDCOJ-CQSZACIVSA-N 383.456 0.777 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508096568 AZTRCYMKTYOLPD-CLCXKQKWSA-N 391.472 0.816 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1512819189 MUHXERUSOVXXHY-CJXDPKRBSA-N 390.484 0.346 30 10 GCEE C=C(C)Cn1c([C@@H]2CCC(=O)NC2)nnc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1515895250 IXDPAQIEGBWCAH-RBSFLKMASA-N 393.513 0.719 30 10 GCEE N#C[C@]12CN(C(=O)c3cccn(CC(F)(F)F)c3=O)C[C@H]1CS(=O)(=O)C2 1537006819 XYMSRNZLDDCNJR-IINYFYTJSA-N 389.355 0.421 30 10 GCEE C#CCN(c1nnc(C(C)C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539202577 JRJSGONFKGJVQG-HNNXBMFYSA-N 376.486 0.994 30 10 GCEE C#CCSCCn1c(-c2cnccn2)nnc1N(CC)CCS(C)(=O)=O 1539513919 SOTWFSVVSPNOLN-UHFFFAOYSA-N 394.526 0.972 30 10 GCEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539517965 UNUDJVXDQLKBCI-ZIAGYGMSSA-N 384.527 0.772 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(C)C)C1 1540862101 QZOMVFXDINDAGS-AWEZNQCLSA-N 378.477 0.580 30 10 GCEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2OCCN(C)C2=O)n1 1542721604 SBBVKPKMIOLMHL-LLVKDONJSA-N 394.482 0.596 30 10 GCEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)cc2)c1N 1558702602 UVXBALDOWHMUFT-QZTJIDSGSA-N 380.452 0.997 30 10 GCEE CC[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157516 BRZBECJVBYKQGW-MRXNPFEDSA-N 378.454 0.306 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnn(C)n2)CC1 1588780081 GVZNKMCQZAGXFR-UHFFFAOYSA-N 393.455 0.281 30 10 GCEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(C#N)nc2)c1 1624519837 OGAGPPLOTSZHNH-UHFFFAOYSA-N 388.405 0.586 30 10 GCEE COc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C#N 1632533719 AJFQXEMEDGYMOY-TZMCWYRMSA-N 377.422 0.541 30 10 GCEE C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCS1(=O)=O 1652553683 ZVPHUPQMHCKBHI-GHMZBOCLSA-N 388.442 0.818 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4c(cnn4C)C3)CC2)o1 1653879777 CQDYGGUOJHSSFX-UHFFFAOYSA-N 383.456 0.685 30 10 GCEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1664694710 VWTZPLAHIKOJHQ-CYBMUJFWSA-N 387.483 0.999 30 10 GCEE COc1ccc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(OC)c1 1682196627 DZYAVOVEQXAKGY-UHFFFAOYSA-N 385.428 0.699 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cc(OC)no1 1686006078 WPHSDIQCMIQXJN-XRGAULLZSA-N 375.425 0.902 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690662814 DXCIRQYRXRXLTG-HXUWFJFHSA-N 398.467 0.958 30 10 GCEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1696271614 ATHJZIVEZDPJHN-UHFFFAOYSA-N 397.501 0.494 30 10 GCEE CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1698304036 GWVZLFRFHNBILS-IAQYHMDHSA-N 384.437 0.106 30 10 GCEE C#CCCCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705525757 UHEZNGXVHUVAPG-INIZCTEOSA-N 381.502 0.631 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1COCCO1 1705621176 UXUOWBPEECSDDE-OAHLLOKOSA-N 379.461 0.308 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1705843832 PBFYSHZUCDWDIG-GFCCVEGCSA-N 377.474 0.388 30 10 GCEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOC1=O 1722341769 DHLMAMPRQOXLPD-UHFFFAOYSA-N 383.412 0.837 30 10 GCEE C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1740315544 OUOUUMZGTRJOFH-XGUBFFRZSA-N 376.457 0.779 30 10 GCEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1740847421 IJDDXEAOPGEQJK-ZDUSSCGKSA-N 398.533 0.817 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1740990311 QCIABXSPRHQVOU-CQSZACIVSA-N 392.485 0.589 30 10 GCEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748803483 ZHVZBFWIUBAXIP-YOEHRIQHSA-N 382.486 0.180 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCSC2)CC1 1748991191 SEXBGJYBLWCELU-APWZRJJASA-N 391.541 0.795 30 10 GCEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)CC(C)C 1757791650 HGGUIYMGDJMBFA-VQHPVUNQSA-N 377.485 0.825 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCN2CCCO)CC1 1760265455 BKWRXTAGEKMHQF-SFHVURJKSA-N 388.516 0.399 30 10 GCEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCCO)CC1 1760390018 ZNMVFWZGXGZBJV-OAHLLOKOSA-N 384.502 0.736 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCNS(C)(=O)=O 1761361390 HFSWSEBFJSYAFR-ZDUSSCGKSA-N 377.474 0.551 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1772564355 KDGYMWIJLFHAHM-QWHCGFSZSA-N 389.547 0.985 30 10 GCEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCN1CCOCC1 1850077545 ACBFLBRRMTVSDO-AWEZNQCLSA-N 388.493 0.221 30 10 GCEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCOC4)C3)CC2=O)c1 1853694066 UJKSNNUCGSIKJP-HKUYNNGSSA-N 382.464 0.953 30 10 GCEE C[C@H]1C(=O)N(C(=O)C[C@@H]2CCOC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637971 CPQAGPJWRAZADZ-ZFWWWQNUSA-N 391.449 0.733 30 10 GCEE Cc1ccc(=O)n(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)n1 1855039294 ZVMYTCLKVXDPJP-CQSZACIVSA-N 397.410 0.822 30 10 GCEE N#CCCCN1CC[C@@H](N2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)C1 1857145560 XAHFTOXOKZAPRN-QGZVFWFLSA-N 399.499 0.741 30 10 GCEE Cc1cc(=O)n(CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)cn1 1857230978 OIZLRBSRHYKZDJ-HOTGVXAUSA-N 383.452 0.553 30 10 GCEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCC(CO)CC1 1870520882 COPAFOYPTQQFGO-UHFFFAOYSA-N 393.484 0.380 30 10 GCEE C#CCCN1CCN(C(=O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)CC1 1968978060 RORWHCRNZSHWAP-UHFFFAOYSA-N 376.461 0.470 30 10 GCEE COCC#CCS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990706379 MDMWBVGHDUPRPX-OAHLLOKOSA-N 383.422 0.821 30 10 GCEE C#CCN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2059555997 ZASSGBGZHHCBRZ-CHWSQXEVSA-N 388.511 0.945 30 10 GCEE COC(=O)[C@@H](CC(=O)N[C@@H](C(=O)O)C(C)(C)S)NC(=O)OC(C)(C)C 2074722454 ALOYPCCUHAWUFE-SCZZXKLOSA-N 378.447 0.721 30 10 GCEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)CC1(C#N)CCOCC1 2118162521 JYUUMMXBGQTQNU-UHFFFAOYSA-N 391.490 0.456 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)CO1 2118163640 RVCSYYXIMJKHQL-MJBXVCDLSA-N 388.490 0.596 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123524696 QTEQKRWSXRQCAS-MJBXVCDLSA-N 388.461 0.983 30 10 GCEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)Cc2cccc(C#N)c2)C1 2126186796 XRBRDQARGLDYEB-UHFFFAOYSA-N 381.454 0.959 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H](CO)C1 2172890652 CEPWBTBSBOWCRI-HIFRSBDPSA-N 396.469 0.849 30 10 GCEE CC1(C)OB(c2cc3c(s2)CCN(C(=O)Cn2cnnn2)C3)OC1(C)C 2206345893 CJHHHRCORZDDTM-UHFFFAOYSA-N 375.263 0.619 30 10 GCEE C#CCCN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2244223202 ZUMYCFJXLUWLAA-OAHLLOKOSA-N 382.438 0.739 30 10 GCEE Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1 2255616366 ZVYJURQKCOKYQB-UHFFFAOYSA-N 377.250 0.698 30 10 GCEE CC[C@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255796418 QLEDLXYQXAEOBV-JTQLQIEISA-N 375.325 0.599 30 10 GCEE CC1(CS(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)COC1 2259001912 LGPFXLMXFOSGAM-UHFFFAOYSA-N 375.281 0.037 30 10 GCEE CC1(C)OB(c2cc(C(=O)NCC(C)(C)S(C)(=O)=O)ns2)OC1(C)C 2267157961 DQYPHNKLOMFDJS-UHFFFAOYSA-N 388.320 0.995 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC2CC(S(C)(=O)=O)C2)OC1(C)C 2267544790 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](CO)C1 2282329328 LCYQGDJKWKNFCU-RYUDHWBXSA-N 385.295 0.159 30 10 GCEE CC[C@@H](CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)OC 2282330672 CPIHVGPDPSEPTI-LBPRGKRZSA-N 387.311 0.765 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3cc(CO)n[nH]3)s2)OC1(C)C 2282332422 ANPIZVQUDYSNBH-UHFFFAOYSA-N 399.303 0.741 30 10 GCEE CCN(C(C)(C)CO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282351235 YENHWIIKNKSFKA-UHFFFAOYSA-N 387.311 0.501 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC1[C@@H]2CNC[C@@H]12 2282491049 JWSHSELWCRJEFC-ZIAGYGMSSA-N 378.303 0.790 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC(CCN)C2)n1 2282504936 WHWJNOAUSCUXTI-UHFFFAOYSA-N 384.311 0.125 30 10 GCEE CCC[C@H](N)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282510660 BUKLMBWFPJWOIS-LBPRGKRZSA-N 386.327 0.433 30 10 GCEE COC1(CCN)CN(C(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)C1 2282514871 JTFCYUPVPWBIJB-UHFFFAOYSA-N 381.307 0.941 30 10 GCEE COCC[C@@]1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCNC1 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0.946 30 10 GCEE Cc1nc([C@H]2CCCN2S(=O)(=O)CCCS(=O)(=O)NCC#N)cs1 349523840 MRUASGSEZKLIIQ-CYBMUJFWSA-N 392.528 0.751 30 10 GCEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CC1 376264880 IYRZBUGKDCMEIJ-UHFFFAOYSA-N 380.470 0.716 30 10 GCEE CC1(C)OB(c2cccc(NS(=O)(=O)CS(C)(=O)=O)n2)OC1(C)C 405034013 MOPOSDAKPIHDGG-UHFFFAOYSA-N 376.265 0.125 30 10 GCEE Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)s1 409843801 QSQUFVQVOKWIIP-SNVBAGLBSA-N 382.471 0.484 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 411934544 CTDIMPHIQILWPX-MLGOLLRUSA-N 377.397 0.130 30 10 GCEE CCN(CC)[C@H](C)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460592768 VVMWAUDSKUVLCV-CQSZACIVSA-N 383.456 1.232 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)NCC(=O)NCC(F)(F)F)CC2)c1C#N 472113207 QTRFQEPPNHIDCX-UHFFFAOYSA-N 387.366 0.110 30 10 GCEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 507688473 QNUWWOCFIXKRSZ-HUUCEWRRSA-N 379.505 0.452 30 10 GCEE COc1cc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3OC)CC2)ncn1 547414878 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1183221796 BMSLLENRZKOIQJ-AWEZNQCLSA-N 393.465 0.967 30 10 GCEE CC1(C)OC[C@@H]([C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCO2)O1 1197542758 NXICCCJIDGLDAM-GJZGRUSLSA-N 381.454 0.579 30 10 GCEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)COC 1262941247 GPQDGBWKCGFCNB-CYBMUJFWSA-N 376.461 0.861 30 10 GCEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C 1263485883 PKLCOULAAUDGMJ-LBPRGKRZSA-N 390.473 0.019 30 10 GCEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1287414498 QDWXEZIOFVIKDN-MRXNPFEDSA-N 387.481 0.980 30 10 GCEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)c(OC)co1 1291846477 INLREPMIIUUUTB-OYHXCVFBSA-N 376.409 0.837 30 10 GCEE COc1cc([C@H](C#N)NC(=O)CC[C@H]2NC(=O)NC2=O)cc(OC)c1OC 1292362638 MKEQQHCWYLIOOR-MNOVXSKESA-N 376.369 0.381 30 10 GCEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)CCOC1 1296604793 FOMDQNLFCGPCEE-ROUUACIJSA-N 397.451 0.771 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(CC)S(C)(=O)=O 1300302629 CVOBVONTFDVHKS-ZIAGYGMSSA-N 396.517 0.359 30 10 GCEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1300446058 DDKCJKAAWUDAOD-IBGZPJMESA-N 391.439 0.469 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)CC1 1300681531 SQVTYVUDNHQBFT-UHFFFAOYSA-N 385.516 0.365 30 10 GCEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCOC2)CC1 1301105105 DEBFZEOZXSQCNG-DYVFJYSZSA-N 399.517 0.442 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC)c(=O)nc1O 1302940553 KGOIZNCGXZFFGD-CYBMUJFWSA-N 378.429 0.892 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)CC12CCC2 1303348331 BPFOSXHKODXRDL-CYBMUJFWSA-N 390.465 0.496 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OC)c1 1303456427 KUEMXLMVMFHYQL-GDBMZVCRSA-N 394.449 0.439 30 10 GCEE CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1OCC(=O)N(C)C 1306985686 FUJCRKMIGYBRKI-AWEZNQCLSA-N 385.424 0.975 30 10 GCEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)ccc2=O)C1=O 1307353678 LDWGRIXFYIBEAK-LJQANCHMSA-N 379.376 0.608 30 10 GCEE C#CCN1CCC(NC(=O)NCCOCCOCC(=O)OC(C)(C)C)CC1 1313399044 YRJOBDUCTNVFAU-UHFFFAOYSA-N 383.489 0.758 30 10 GCEE Cn1ccnc1C[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1319223654 FPFIVTSQASIFRB-YWMAMYRUSA-N 386.456 0.911 30 10 GCEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3cnn(C)c3)ccc2=O)n1 1321394395 ZGHOMPBZJULAQA-UHFFFAOYSA-N 381.440 0.580 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccccc1 1323419199 HQRDXHNSNDGZIE-LRCWUAGVSA-N 382.420 0.849 30 10 GCEE Cn1cc(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 1323552210 FGHPWEZJVAJGTE-UHFFFAOYSA-N 378.396 0.229 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 1325946051 DOTLUKZRCKKQBN-RDJZCZTQSA-N 385.464 0.739 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 1327730563 USCFFKFEFIFZBG-SFHVURJKSA-N 390.465 0.557 30 10 GCEE CN1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC1=O 1328831044 HGTPHMYJPPBOOE-CYBMUJFWSA-N 387.415 0.083 30 10 GCEE Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 1328856906 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C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)o1 1342074052 ASUUJDZIUOFJFI-JUZOZWJJSA-N 386.408 0.662 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1342216678 AKGCEXIPPPJYJX-PASDCYSWSA-N 377.489 0.976 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1343279304 CCMIVHGBHZIFQE-SECBINFHSA-N 392.359 0.026 30 10 GCEE C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]1CC 1344810996 JYKRMRHVTURUFO-YTGMWSOZSA-N 378.469 0.574 30 10 GCEE C#CC[C@@H]1CCCN(c2nnc(-c3cn(CCO)nn3)n2C[C@H]2CCCO2)C1 1347769317 VLTVKUCMYKEFBJ-HZPDHXFCSA-N 385.472 0.948 30 10 GCEE Cc1cc(NC(=O)C(=O)NCC[S@@](=O)CC(F)(F)F)n(CCC#N)n1 1350160357 PHSZYCJIIAWLKL-RUZDIDTESA-N 379.364 0.471 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC2CS(=O)(=O)C2)c1 1354740552 GTQZIBQMWXJSIJ-OBGWFSINSA-N 399.494 0.873 30 10 GCEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358910687 XQYXBKBUFLSASQ-UHFFFAOYSA-N 396.499 0.749 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 1358948881 NXSYMYRGBLULHX-KGLIPLIRSA-N 385.490 0.105 30 10 GCEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)CC1 1359164152 GPHIUALAMILYEM-AWEZNQCLSA-N 396.517 0.713 30 10 GCEE N#C[C@@]12CN(CCCON3C(=O)c4ccccc4C3=O)C[C@H]1CS(=O)(=O)C2 1460833181 MRAPNXPBTHYTKG-UGSOOPFHSA-N 389.433 0.474 30 10 GCEE C[C@@]1(C#N)CN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCO1 1460854270 CINWBZKPVTUYKK-WOJBJXKFSA-N 399.451 0.575 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NCc3nnc4c(=O)[nH]ccn34)cc2C1=O 1462826624 UXTZFSWRVJAZTQ-UHFFFAOYSA-N 378.348 0.130 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCNC2=O)c1 1464260589 LHZPECVSCMRDSR-HGVMIPIXSA-N 378.454 0.964 30 10 GCEE N#CCNC(=O)CNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1470096807 YITVSNCCZXJOHV-GFCCVEGCSA-N 394.229 0.641 30 10 GCEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471984484 YDVJNJZTKDZMJR-SJORKVTESA-N 398.467 0.483 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nc(C(=O)OC)co2)c1 1475454941 VOQBKYVEHAEHQJ-UHFFFAOYSA-N 379.394 0.856 30 10 GCEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1502727874 DARKRRHJPXMXPP-KXBFYZLASA-N 391.472 0.964 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccoc2)CC1 1507732708 WSFPYWNVBVJBRB-MRXNPFEDSA-N 389.481 0.577 30 10 GCEE CN(C(=O)Cc1ccc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1521964504 JEPBIGDQLCMAGX-UHFFFAOYSA-N 386.271 0.967 30 10 GCEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540064509 WCBVFCRKMXJWSF-KRWDZBQOSA-N 377.470 0.820 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@H](C(N)=O)C3)C2)C1 1544363619 VIPAQLXXBSCRMC-IXVUQVCVSA-N 392.456 0.486 30 10 GCEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1554482526 BENHCTKMJCLYQT-UHFFFAOYSA-N 390.469 0.434 30 10 GCEE Cc1cc(C(F)(F)F)nn1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585137916 BAQKGLWSYOQWCW-GWCFXTLKSA-N 376.360 0.607 30 10 GCEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1594732285 BQNBHTPAIGQHHM-KBPBESRZSA-N 381.502 0.813 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(N)=O)C1 1595516230 BUJVDCNTDJAUOL-ZDUSSCGKSA-N 398.423 0.288 30 10 GCEE N#Cc1cccc(C(=O)NCCN2CCS(=O)(=O)CC2)c1Br 1628009995 YWPGOHNFOCVQGS-UHFFFAOYSA-N 386.271 0.781 30 10 GCEE C=CCC1(O)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1635151654 NFOPDCFOGKUYPK-ZDUSSCGKSA-N 383.470 0.082 30 10 GCEE COC1(c2nccn2C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1651272489 GBQWPYJSILFPGH-UHFFFAOYSA-N 386.412 0.108 30 10 GCEE CC(C)CNC(=O)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1653003190 YXHRYSKKJMWDOT-ZPHPHTNESA-N 376.457 0.914 30 10 GCEE N#Cc1cn(CCO)c(=O)n(CC(=O)Cc2ccccc2Br)c1=O 1656731833 COKXBVLPUICWAH-UHFFFAOYSA-N 392.209 0.448 30 10 GCEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OCC 1670885992 IHWBPSKREQIGDQ-VXGBXAGGSA-N 387.907 0.805 30 10 GCEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1690527472 OSBGPXLQSRLKFH-LBPRGKRZSA-N 376.504 0.237 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)Cn2cncn2)CC1 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CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(C3(N)CC3)C2)OC1(C)C 2282846383 IVAUCRGBBPWKJW-UHFFFAOYSA-N 399.347 0.695 30 10 GCEE C=CCOCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854560 TWLJVRVCPLWGOV-UHFFFAOYSA-N 385.295 0.542 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CC[C@H](OCC(=O)O)C2)OC1(C)C 2284391707 NLUOQDVDPDWXTL-JTQLQIEISA-N 382.247 0.758 30 10 GCEE C[C@@H]1C[C@@]1(NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284405278 IRWSLHCHENHKIT-HWPZZCPQSA-N 382.247 0.522 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)c2)OC1(C)C 2284408100 SCJAKFKSHYTRJT-MRXNPFEDSA-N 385.247 0.100 30 10 GCEE COC[C@H]1C[C@H](CN)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289586346 BETMNANKDMZKQU-NWDGAFQWSA-N 381.307 0.878 30 10 GCEE C#CC(CO)(CO)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2290355258 VWLXWNGTUCFWBT-UHFFFAOYSA-N 379.649 0.726 30 10 GCEE C#CCOCCOCCNC(=O)[C@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2296433096 CJXWNESOSFASLF-BEFAXECRSA-N 382.457 0.795 30 10 GCEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2339391886 ZZAXAJRZWLGKSW-NEPJUHHUSA-N 388.682 0.604 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367827908 LTKOFMBXXXIUJA-KVMGVCFTSA-N 398.525 0.949 30 10 GCEE Cc1scc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)c1B1OC(C)(C)C(C)(C)O1 2369543894 SBWLOXSJPDXNPZ-LLVKDONJSA-N 378.259 0.843 30 10 GCEE C#CC1(O)CN([C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]3(CCCOC3)C2)C1 2375992502 GMZRHFNWNIILOF-HKUYNNGSSA-N 380.441 0.680 30 10 GCEE C#CCNC(=O)CN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2376709924 JUNLCWCTWXHTAX-IFXJQAMLSA-N 379.457 0.958 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2377350958 UUQPZGRECRAGEK-WFTHSTBKSA-N 382.457 0.469 30 10 GCEE C#CCCN1CC[C@H](N[C@@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)C1 2377989696 PBFGLZRBVFOZFR-DOXZYTNZSA-N 381.473 0.811 30 10 GCEE C#C[C@@]1(O)CCN([C@@]2(C(=O)O)CCCOC23CN(C(=O)OC(C)(C)C)C3)C1 2378941128 JGWPKMBSCJAIED-IEBWSBKVSA-N 380.441 0.680 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2379431437 UFNGPXDLMRFCHV-CKFHNAJUSA-N 379.457 0.816 30 10 GCEE Cc1ccc(S(=O)(=O)/N=C(\O)NCCS(=O)(=O)N2CCCC2)cc1 41238705 OSLJJQVVVMDFJT-UHFFFAOYSA-N 375.472 0.613 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CCOC)CC2)cc1 48428623 LIXBMDLVWQYNLN-UHFFFAOYSA-N 379.482 0.392 30 10 GCEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](C#N)C3CC3)CC2)c1 108834500 FKWBUZQKFPHSKL-QGZVFWFLSA-N 376.482 0.865 30 10 GCEE C#CCN1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 121754980 CUVXEETZCJRNBX-MRXNPFEDSA-N 392.525 0.951 30 10 GCEE CN1[C@H]2CC[C@H]1CC(N1CCN(S(=O)(=O)c3ccc(C#N)nc3)CC1)C2 158206276 FWRDGMGGMKMGEY-HOTGVXAUSA-N 375.498 0.885 30 10 GCEE CCOC(=O)N1CCN(C(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)CC1 244449761 ZBAKJWWODMQRQH-UHFFFAOYSA-N 394.453 0.625 30 10 GCEE C=C(C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@H](O)CO 263639176 ZTDFZLVUIVPZDU-ZJPYXAASSA-N 378.421 0.954 30 10 GCEE biogenic Cn1ncc(Br)c1/C=c1\sc(=C(C#N)C#N)n(C2CC2)c1=O 278273079 PFQJALFYQLSNLS-QCDXTXTGSA-N 376.239 0.767 30 10 GCEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCN1C1CC1 371620930 DRKULRBZELMFJU-OAHLLOKOSA-N 380.445 0.693 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 377374304 QDZMGTNRJDLVQP-KRWDZBQOSA-N 398.444 0.935 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)C1=O 425038440 LSYDUKLHLKDNEU-OCCSQVGLSA-N 393.440 0.932 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)CCOCc2ccccc2)CC1 451003133 NBCJIHXZSUUWTQ-UHFFFAOYSA-N 381.498 0.453 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 460694379 XOROIGPZWCELPB-SJORKVTESA-N 388.387 0.852 30 10 GCEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 460728715 RCDXJLVMNHVXKI-UXIGCNINSA-N 393.407 0.203 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2C1=O 467852264 NQTOKNYDKHYIBJ-UHFFFAOYSA-N 398.448 0.865 30 10 GCEE COCCc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n(C)n1 490384514 NTUUKHKFNIENHP-UHFFFAOYSA-N 397.439 0.163 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CC(N)=O 497282207 SMZZDKZTTTVSBQ-JSGCOSHPSA-N 378.454 0.482 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CCOC3)C2=O)cc1 507358501 HVBLCVWPEJWHAQ-IAGOWNOFSA-N 384.436 0.318 30 10 GCEE C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)C1CCCCC1 530270478 KVBIEKCFIWVLIM-GFCCVEGCSA-N 387.440 0.679 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(C(C)C)c(C)s2)CC1 566690352 NJKKOILRMRKEIK-UHFFFAOYSA-N 393.513 0.960 30 10 GCEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1 568253191 HJNOBXAKMUNNMN-JTQLQIEISA-N 384.426 0.445 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 572856033 VGUVBFPGVPBBIM-CYBMUJFWSA-N 386.499 0.155 30 10 GCEE CC(C)N([C@H]1CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 582555592 BGXROHHTUVVVFW-ZDUSSCGKSA-N 387.483 0.676 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)O)c1 583883387 PDSHGYMNBDUILW-NSHDSACASA-N 375.472 0.268 30 10 GCEE CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1 584481050 YCQUMZLMFFMYJD-IUODEOHRSA-N 389.499 0.562 30 10 GCEE CC(C)N1CCC[C@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 586831434 QLBUWVKFYORAMY-QGZVFWFLSA-N 398.511 0.838 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 589992092 FCYIKTQNRHNQKW-HUUCEWRRSA-N 382.530 0.380 30 10 GCEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl 592307006 HAFWADGUFILEEF-NSHDSACASA-N 377.832 0.729 30 10 GCEE CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c(C#N)cn1CCOC 592581162 MDRIYWZWSAXGLZ-LBPRGKRZSA-N 398.441 0.155 30 10 GCEE CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)S1(=O)=O 592616670 BDQQUVIUAYCNTE-HUUCEWRRSA-N 376.438 0.204 30 10 GCEE N#CC[C@]1(O)CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)C1 592844337 WPEIUARKAFHHNI-PXNSSMCTSA-N 382.420 0.339 30 10 GCEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@]3(OCCO)CCOC3)C2)c(F)c1 597992367 VEGKBAYTDOOMAD-KXBFYZLASA-N 377.416 0.808 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(c2nccnn2)CC1 599381191 HJXYWVLXAJQNFV-UHFFFAOYSA-N 388.409 0.041 30 10 GCEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 599500440 OPBJYRBQNUCNER-NSHDSACASA-N 388.243 0.586 30 10 GCEE CO[C@H](Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)[C@H]1CCOC1 600608190 UROPDAPTBFZBEA-GXTWGEPZSA-N 379.413 0.275 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1Cl 608781515 IVANSVGSJKJFSR-UHFFFAOYSA-N 377.875 0.916 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NC1CCN(CC#N)CC1 610988254 FSARENQKJLBVTP-KBXIAJHMSA-N 378.429 0.109 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 618309171 COQQLDZYOVSQIZ-JSGCOSHPSA-N 386.495 0.846 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C 632840769 LBEDRZLRDNQVRV-NBMRYCAZSA-N 376.457 0.806 30 10 GCEE C=C(C)Cn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCS(=O)(=O)CC1 669335138 PXNDXPSSDWPBOG-CABCVRRESA-N 381.502 0.625 30 10 GCEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CCC)c2)c1=O 735069582 XHHPMYPVTKOCFQ-UHFFFAOYSA-N 383.477 0.484 30 10 GCEE COc1cccc(N2CC[C@@H](CNC(=O)C(=O)Nc3cnn(CC#N)c3)C2)c1 746390982 NOFVPNLBZVNGBU-AWEZNQCLSA-N 382.424 0.996 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 760852891 GQZCJMVOSVXZEW-NSHDSACASA-N 382.385 0.911 30 10 GCEE COc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 773487719 JJPQFDLUCGUPCY-WDEREUQCSA-N 392.416 0.242 30 10 GCEE C#CCN(C(=O)Nc1ccc(OC)c(-n2cnnn2)c1)[C@H]1CCS(=O)(=O)C1 774051725 FJSWSKJIYHUGRL-ZDUSSCGKSA-N 390.425 0.325 30 10 GCEE C#CCN(C(=O)NCc1cccc(NS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 774164475 RUVAJEHCGLYVNU-OAHLLOKOSA-N 399.494 0.390 30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@H](C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 783480287 JFFOBZNBGXJMDM-KBPBESRZSA-N 376.434 0.449 30 10 GCEE CN(C(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O 784804010 RRMLQQSXWWVUHE-OAHLLOKOSA-N 384.371 0.748 30 10 GCEE CC(C)(C)n1nnnc1COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327598 PVWGXFWJFWZBMT-UHFFFAOYSA-N 378.414 0.321 30 10 GCEE C[C@@H](C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1)n1cnc(C#N)n1 798741260 MONRMUVEUXPMCA-ZDUSSCGKSA-N 384.396 0.729 30 10 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COC(=O)c1cc(S(=O)(=O)N2CCNC[C@H]2C#N)c(Br)s1 97999157 VTXKFTHPIFSUPP-SSDOTTSWSA-N 394.272 0.783 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cc1 117849021 CKRSMKJIZNCGSQ-KRWDZBQOSA-N 391.497 0.917 30 10 GCEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ncnc2nc[nH]c12 122555008 QECHPBOKKNXWAJ-UHFFFAOYSA-N 377.412 0.405 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)NC3CC3)CC2)c1 128408940 QRFREUSXORSKCU-UHFFFAOYSA-N 376.482 0.228 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN3CCN2CC3)ccc1F 178626054 VJSKAYRPLDSDHT-CQSZACIVSA-N 382.461 0.020 30 10 GCEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccccc3O)[nH]2)CC1 253567025 JQIVJNFDHPICFP-LICLKQGHSA-N 375.458 0.822 30 10 GCEE C/N=C(/NCc1cccc(CS(C)(=O)=O)c1)N1CCC[C@@]2(CNC(=O)C2)C1 261696907 FSOTYVNRKBAABX-LJQANCHMSA-N 392.525 0.909 30 10 GCEE C=C1C(=O)O[C@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]12 263639174 ZTDFZLVUIVPZDU-MHORFTMASA-N 378.421 0.954 30 10 GCEE biogenic CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 269320903 IWGGCPLQTFYKJS-UHFFFAOYSA-N 375.404 0.258 30 10 GCEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](NC(N)=O)C2)CC1 272044242 PDVXIUKPCXETHO-SJORKVTESA-N 388.447 0.277 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C 276075710 DCBOQBPBTUCGSG-ZDUSSCGKSA-N 388.424 0.601 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 287230377 FCDULPTVRNUCDX-INIZCTEOSA-N 399.451 0.404 30 10 GCEE Cc1ccc(N=C(O)NC(=O)[C@@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)c1 330866047 ZGTRRLNIVYBJFQ-ZIAGYGMSSA-N 382.486 0.977 30 10 GCEE CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2cccnc21 349464306 WCCVLTGIOWLUGD-UHFFFAOYSA-N 385.511 0.839 30 10 GCEE C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](C)N1CCOCC1 368117611 CVOWYWGPUQBLIV-KBPBESRZSA-N 397.439 0.303 30 10 GCEE COCCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 369219747 PZSVLTRUEAPTOO-OAHLLOKOSA-N 390.415 0.988 30 10 GCEE CC1(C)CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@]2(CCOC2)O1 373793597 VDHVJHPZVGAJPA-LJQANCHMSA-N 389.456 1.245 30 10 GCEE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 415613431 AGRNQYRUPZXOEG-RISCZKNCSA-N 386.843 1.450 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(OC)c2)CC1 445146239 VPFROFJUFIJJDP-UHFFFAOYSA-N 378.404 0.219 30 10 GCEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H](O)Cn1ccnn1 458136347 LCQAZUZQJASOPA-JTQLQIEISA-N 380.202 0.468 30 10 GCEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)O1 465491114 LDIBTJKTQDWHAF-MGPQQGTHSA-N 380.474 0.213 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 491153022 BODICNXVZKUTMV-UHFFFAOYSA-N 384.358 0.489 30 10 GCEE CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H]1n1cccn1 494053842 FNQMDXMDTXMICH-IIAWOOMASA-N 385.428 0.775 30 10 GCEE Cc1nccn1CCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 515858033 JPMGXBMZYZVFLL-UHFFFAOYSA-N 381.440 0.313 30 10 GCEE N#Cc1cn(C2CN(C(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)C2)c(=O)nc1O 530270356 HAKITIFJWYDCKV-UHFFFAOYSA-N 397.366 0.762 30 10 GCEE C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 548720435 FWMRXMQDXLCPKE-LAUBAEHRSA-N 394.431 0.388 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568987219 TWKJEZHYTDZEHG-CQSZACIVSA-N 378.454 0.352 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCOCC3)C2)cc1 581082629 OCIMEQLPOOCJMV-UHFFFAOYSA-N 385.467 0.290 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 582073057 QROWPOIRNGPWPO-LBPRGKRZSA-N 385.467 0.478 30 10 GCEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586859632 DATZWWUCVVZJMD-GDBMZVCRSA-N 393.415 0.186 30 10 GCEE COC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 591006280 TZTOSWRYIQLVTK-MRXNPFEDSA-N 385.468 0.877 30 10 GCEE CC(C)(C)OC(=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CCOCC1 591993155 CJQANYXETLDJTE-UHFFFAOYSA-N 378.433 0.587 30 10 GCEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 592948809 BLJCPWNEZUTKSQ-CQSZACIVSA-N 381.454 0.931 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)NCc3ncc4c(n3)CCOC4)CC2)c1 593441828 YJBIYNIMGWMWDV-UHFFFAOYSA-N 379.424 0.848 30 10 GCEE C=C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 594632817 NYFSAXLOSIXVNP-CJNGLKHVSA-N 399.494 0.843 30 10 GCEE CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 594639093 YUSZJZHZULAKOX-UHFFFAOYSA-N 390.462 0.849 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](C(=O)O)C3CCC3)CC2)n1 596130607 TXDJAIUNIDYMMN-OAHLLOKOSA-N 385.424 0.219 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 599389720 SGXZOMSKQZSLEA-UHFFFAOYSA-N 396.451 0.031 30 10 GCEE CNS(=O)(=O)C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 599690901 BANIAOIUQJDIQE-OAHLLOKOSA-N 385.511 0.593 30 10 GCEE CC(C)n1ncnc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 599860043 NXYSAUYHLALLPM-GFCCVEGCSA-N 376.442 0.714 30 10 GCEE CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 645413268 RQJZLSQZGXPRKJ-GBESFXJTSA-N 384.480 0.659 30 10 GCEE Cc1ncc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 705718818 KAFLNQDLPMCQAB-DZGCQCFKSA-N 396.469 0.768 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 725820284 OKQOOHAQEMITGS-UHFFFAOYSA-N 393.296 0.997 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCO1 785481449 SCVDUNBGFXLHCL-RBUKOAKNSA-N 385.464 0.432 30 10 GCEE COc1cccc(Cl)c1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 790777122 BOCBQSYWGDAUQK-GFCCVEGCSA-N 384.841 0.857 30 10 GCEE COc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1C#N 795146344 HDPDFAMXWMWZGZ-UHFFFAOYSA-N 381.435 0.844 30 10 GCEE CC(C)(C)OC(=O)N1CCCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 800052759 IFHJXRYKOHSYTB-ZIAGYGMSSA-N 388.490 0.835 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 812288085 UPVURTSHPVCIMJ-ZNMIVQPWSA-N 397.501 0.248 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 845964702 VNJFRWXSXNMCEB-HNNXBMFYSA-N 395.462 0.711 30 10 GCEE C=CCOC[C@H](NC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OC 846058043 HECPOAIYVJPKRY-BIENJYKASA-N 398.456 0.730 30 10 GCEE COC(=O)[C@@H](OC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(C#N)cc1 850233014 YZKVGHCDOYCFAC-INIZCTEOSA-N 385.380 0.898 30 10 GCEE N#Cc1ccc(CS(=O)(=O)N2CCC(N3C(=O)O[C@@H]4CNC[C@@H]43)CC2)cc1 858617563 GGHWUVDJAJJKBS-DLBZAZTESA-N 390.465 0.645 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(F)(F)F)nn1C 858913215 WWBBLLLUCDZRBA-SECBINFHSA-N 385.389 0.250 30 10 GCEE COc1cccc([C@H](O)C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 859420249 OSIBDQYNVXHIQA-ZWKOTPCHSA-N 395.481 0.910 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2ncnc3c(OC)cc(OC)cc23)CC1 872632902 BPAOMYAOIMWXFG-UHFFFAOYSA-N 391.453 0.237 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCN(CCCOC(C)(C)C)CC1)[C@H]1CCCO1 898003314 GSBGOEUCEJBVJK-DLBZAZTESA-N 379.501 0.633 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([C@H](F)C(=O)OCC)C2)cc1 898529027 MHSURJCBUPQKDZ-ZBFHGGJFSA-N 396.440 0.961 30 10 GCEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 899112909 UVJDHMLFZJMIOM-UHFFFAOYSA-N 379.482 0.800 30 10 GCEE C(#CCN1CC[C@@H](Nc2ncccn2)C1)CN1CC[C@H](Nc2ncccn2)C1 903021614 BOFVSZGXCYWEEW-HDICACEKSA-N 378.484 0.943 30 10 GCEE C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCN(S(=O)(=O)CC)CC1 908735345 VBIPZFDDCQJJKC-UHFFFAOYSA-N 392.485 0.302 30 10 GCEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 909244674 WQSGXYTZGDTTNQ-HNNXBMFYSA-N 389.485 0.179 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C)cn(C)c2=O)n1 1116844584 ARGJQNDLJDPCNE-UHFFFAOYSA-N 385.424 0.137 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1117169655 GFMYSCAIWHYSIW-QGZVFWFLSA-N 391.493 0.060 30 10 GCEE CCOc1cc(CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC 1119135031 WZVQKAJOLUWXQU-MRXNPFEDSA-N 386.452 0.909 30 10 GCEE C#CCN1CCCC[C@H]1c1nnc(N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1C 1121486853 VLLZTRTUJPTVPX-VKJFTORMSA-N 388.497 0.350 30 10 GCEE C=CCn1c(-c2cc(C#N)cn2C)nnc1N1CCN(c2nncn2C)CC1 1121673113 SASCBCKCXPUOKH-UHFFFAOYSA-N 378.444 0.796 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@@H]2COC(=O)N[C@H]2C1 1122620344 FIWZFOORKPLQRX-QPSCCSFWSA-N 376.461 0.526 30 10 GCEE O=C(NCC(F)F)C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1166759738 DITWAUDLZXPYQY-WDSKDSINSA-N 399.238 0.968 30 10 GCEE CC[C@H]1c2ccsc2CCN1C(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1189745954 QUGFBQBVVJORLE-AWEZNQCLSA-N 388.449 0.471 30 10 GCEE C#CCNC(=O)CN1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 1191504186 XCZDYQNZYUCZDS-SJORKVTESA-N 382.530 0.110 30 10 GCEE C=CCn1cc(CNC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)nn1 1252076549 HOZDPSPZKNQPPD-GOSISDBHSA-N 395.460 0.733 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC(F)(F)C[C@@H]3CO)C2)nc1 1261348170 ABPBOIYZKDFPLE-CHWSQXEVSA-N 380.351 0.161 30 10 GCEE C=CCOCc1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H]1CCCO1 1263453623 PDGSAQUZWNOLLC-INIZCTEOSA-N 393.488 0.891 30 10 GCEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(C)=O)CCCC1 1282761364 ZJBJQTHTLSWUKA-SVGFKBNWSA-N 375.469 0.722 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CCCS(C)(=O)=O 1286785056 DJTCJHMKBUIVNH-UHFFFAOYSA-N 394.501 0.457 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2cc(C)cn2)C1 1289647191 DXEYFSBBXAIJPD-DFGXFYAUSA-N 376.457 0.251 30 10 GCEE 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COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCN 2282875790 UNQOAMCRRXHZLQ-UHFFFAOYSA-N 386.279 0.553 30 10 GCEE CCOC[C@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284392300 VOYJBBYNOLASKT-JTQLQIEISA-N 384.263 0.970 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@@H]3C[C@H](C2)[C@@H]3O)OC1(C)C 2286194809 HOFMYRQOQFLEDX-VIKVFOODSA-N 379.287 0.987 30 10 GCEE C#CC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC(C)C1 2288209639 IZGXGGVEJPMXHV-UHFFFAOYSA-N 380.279 0.195 30 10 GCEE CC(C)(C)OC(=O)NCCC1CC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342068012 ABZXUTWGZVAEIA-FVRSWCFKSA-N 386.514 0.950 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)NCc1ccc(C#N)cc1F 2357915653 DVJBWGZOXGGXBX-QLFBSQMISA-N 379.388 0.655 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CC[C@@H]2C[C@H]12 2359272813 YJQZLDNGLPLLCZ-UTUOFQBUSA-N 382.295 0.439 30 10 GCEE CC1(C)OB(C#CC(=O)N[C@@H]2CCN(S(=O)(=O)C(F)(F)F)C2)OC1(C)C 2360224298 CMDIKODKHXLSTG-SNVBAGLBSA-N 396.196 0.661 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCC3(CNC3)OC2)OC1(C)C 2362562941 VUPUQFRCVVMOOO-LLVKDONJSA-N 379.291 0.693 30 10 GCEE C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CC(=O)N(C(C)C)C(C)(C)C1 261638826 ACUHPKQGKHJRLB-CQSZACIVSA-N 387.550 0.317 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C)cc1 265418087 VQCVGRLHXKKALR-HNNXBMFYSA-N 394.497 0.642 30 10 GCEE CC(C)N1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 298621810 JADFECNGJZSDRD-UHFFFAOYSA-N 384.484 0.545 30 10 GCEE Cc1cc(N(C)C)nc(N=C(O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1 329077677 CPEXWFQGQIRJJM-SFHVURJKSA-N 376.461 0.846 30 10 GCEE COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349454883 BQPIYTFLGWTXNH-CYBMUJFWSA-N 388.471 0.136 30 10 GCEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@H]2CCC[C@H]21 349542088 MQCIKVZMWJPBGI-LXTVHRRPSA-N 391.515 0.039 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1 410921088 QSXFFRTUYVTJNJ-JKSUJKDBSA-N 396.557 0.565 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 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C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 519430907 JPQZKAVAQUXPCU-MRXNPFEDSA-N 392.504 0.589 30 10 GCEE CS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 528904636 DHRQKKDOGSUDJH-ZDUSSCGKSA-N 385.467 0.176 30 10 GCEE CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)s[nH]1 545491704 CBVZHJYSYKLMIQ-UHFFFAOYSA-N 399.480 0.811 30 10 GCEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549247683 AXFYYBQWDYRETK-OAHLLOKOSA-N 385.472 0.778 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)CCO4)CC2)n1 550835324 UBNMLONOWJDWTF-UHFFFAOYSA-N 391.431 0.853 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2nnc3ccccn23)C(C)C)C1=O 552950213 HPJGFBQNNCAVIH-HOCLYGCPSA-N 398.467 0.788 30 10 GCEE Cc1ncc(S(=O)(=O)NC[C@H](N2CCNCC2)C(F)(F)F)cc1C#N 563445518 FTVRSKRFAQFEPQ-ZDUSSCGKSA-N 377.392 0.376 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 564794389 OQERPUWAYZBCOP-LRDDRELGSA-N 386.495 0.997 30 10 GCEE CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H]1CCOC1 566339949 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C=CCSCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 598677809 KECAIFVBVTXHKJ-UHFFFAOYSA-N 394.472 0.609 30 10 GCEE CCS(=O)(=O)C1(CNC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 599988457 DSDSDGFTBFIJBV-UHFFFAOYSA-N 383.401 0.728 30 10 GCEE CC(C)(C)CNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600607835 NRTNGCAJRLXOBJ-UHFFFAOYSA-N 378.429 0.386 30 10 GCEE N#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609506314 ZNOYXHCVZXYTFY-ZDUSSCGKSA-N 375.385 0.897 30 10 GCEE C=CCOCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 618522555 MKCRLQSDKUMQOU-ARFHVFGLSA-N 386.514 0.805 30 10 GCEE O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(CC#CCN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)C1 625453406 UNERMXUQQPOEJW-CGXUPHRESA-N 392.540 0.713 30 10 GCEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1 679411850 YOOZSHAWNAFBJI-UHFFFAOYSA-N 393.407 0.825 30 10 GCEE N#C[C@@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCN1C1CC1 732677057 RLZIWFOBBXZCEF-OAHLLOKOSA-N 388.472 0.623 30 10 GCEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 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381.436 0.794 30 10 GCEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)Cn2cnc3ncccc3c2=O)C1=O 1854558780 VMCXNUDKYGBRBD-GDBMZVCRSA-N 381.436 0.960 30 10 GCEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855745828 OYUYZYBULKDHGI-CQSZACIVSA-N 392.481 0.771 30 10 GCEE Cn1ccc(C(=O)N2CCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n1 1855909771 PZNDIZJDCMODQR-KRWDZBQOSA-N 393.451 0.640 30 10 GCEE C=CCCC(=O)N1CCN([C@@H]2CCN(C[C@@H]3CCCN3C(C)=O)C2)CC1=O 1856853703 RQRFGTLCMYDEPZ-MSOLQXFVSA-N 376.501 0.709 30 10 GCEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cn3cccc3)C2)CC1 1857020312 VSVBHQYWRVWKRX-OAHLLOKOSA-N 378.454 0.429 30 10 GCEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(CCO)CC1 1870692808 VUODDMVETHPPPW-UHFFFAOYSA-N 379.457 0.086 30 10 GCEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)ccc1O 1874436070 KTOZMOHCSPOCEE-GIJQJNRQSA-N 379.442 0.985 30 10 GCEE CC1(C)OB(c2cccc(CNS(=O)(=O)N3CC[C@H](O)C3)c2)OC1(C)C 1914063189 TWBLTNYTLYWSLQ-HNNXBMFYSA-N 382.291 0.387 30 10 GCEE N#CC1CN(S(=O)(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)C(F)(F)F)C1 2118165531 BTHAQHZTCIJIPA-WCQYABFASA-N 380.392 0.610 30 10 GCEE CC(C)(C#N)CS(=O)(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 2118167417 OEOLVKSEBOUGOV-MRXNPFEDSA-N 391.490 0.454 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 2126910546 GJYOJYWTEYPTKN-KGLIPLIRSA-N 382.442 0.602 30 10 GCEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(C(C)(C)C#N)CC1 2181046134 BZQPSBWEIGKLPP-OAHLLOKOSA-N 379.505 0.984 30 10 GCEE C#CCOC[C@H]1CCCN1C(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2206391993 JIQSXMOWALLQGQ-FXUDXRNXSA-N 382.457 0.358 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2C2OCCO2)n1 2255612704 UVOWLQCTCMPJIJ-LLVKDONJSA-N 378.238 0.092 30 10 GCEE COC[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255949513 ZWBMRDPFOFXRNC-NSHDSACASA-N 377.293 0.333 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@](C)(O)CO2)OC1(C)C 2255952861 ZSIDJGALKCFZAH-AWEZNQCLSA-N 375.277 0.734 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N(O)CCC(=O)O)c2)OC1(C)C 2256909175 XPHHOMNHSYRFHI-UHFFFAOYSA-N 377.249 0.902 30 10 GCEE CNS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2267112719 KPDHIKWNJFUPEM-UHFFFAOYSA-N 388.320 0.635 30 10 GCEE C=C(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)N1C)B1OC(C)(C)C(C)(C)O1 2267463103 GDGNTSXREQKKJK-LBPRGKRZSA-N 394.324 0.127 30 10 GCEE CCNC(=O)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472843 WQJWLKYMPSTRND-UHFFFAOYSA-N 388.320 0.804 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CC3(C2)CS(=N)(=O)C3)OC1(C)C 2267538526 MXMSEHYSTYFJHW-UHFFFAOYSA-N 383.304 0.945 30 10 GCEE COc1ccc(S(=O)(=O)NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2269036486 MDLKYWINSPRHGR-UHFFFAOYSA-N 391.276 0.232 30 10 GCEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2281806659 KXEBRQAXRDIHTG-IMRBUKKESA-N 381.259 0.660 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CS(C)(=O)=O 2282009389 QDIIUKYJIRXAHT-SNVBAGLBSA-N 385.295 0.191 30 10 GCEE C[C@H]1CCNC(=O)[C@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282017261 IFQXIZNZCLAHQY-QWRGUYRKSA-N 379.291 0.944 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCn3cnnc3C2)OC1(C)C 2282028602 GWKHKOJVSOILPL-JTQLQIEISA-N 375.263 0.779 30 10 GCEE Cn1cc(Cl)c(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282098716 XCNKXMADQPDXOK-UHFFFAOYSA-N 380.645 0.431 30 10 GCEE CC1(C)OB(c2cc(C(=O)Nc3cnn(CC(N)=O)c3)cs2)OC1(C)C 2282207679 DWSGSBVFUCECDT-UHFFFAOYSA-N 376.247 0.981 30 10 GCEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2282209303 PZTCQJDYOFDQOK-CLLJXQQHSA-N 381.259 0.599 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(F)(CO)C1 2282315781 SJRZWTBSMHDRAJ-UHFFFAOYSA-N 385.266 0.999 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(CN)CC1 2282328931 FNAIJXIEPZYXJZ-UHFFFAOYSA-N 384.311 0.127 30 10 GCEE CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282344684 MAPQQYROIZPAJJ-CHWSQXEVSA-N 385.295 0.565 30 10 GCEE C[C@H]1CCNC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282352712 BDUGTRIQNYDEAS-SWLSCSKDSA-N 381.307 0.657 30 10 GCEE CO[C@H]1CN(C)C[C@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282522939 RLTFRBPXOWRIPO-NEPJUHHUSA-N 381.307 0.810 30 10 GCEE CCc1nc(C(=O)N[C@H]2CCOC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282524957 HPCLNAWPIIRGTP-QWRGUYRKSA-N 382.291 0.884 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NCC3(CO)COC3)c(Cl)c2)OC1(C)C 2282604356 SGDLVPJEVNBASI-UHFFFAOYSA-N 382.653 0.773 30 10 GCEE CC1(C)CNC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)O1 2282604776 YIVYTXLDJCHRFV-NSHDSACASA-N 381.307 0.939 30 10 GCEE COC(=O)[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282800349 QXTPVQCLSDGVHT-ZDUSSCGKSA-N 383.637 0.903 30 10 GCEE Cn1[nH]cnc1=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282833405 WYXLOZGTPYMBLD-UHFFFAOYSA-N 382.226 0.476 30 10 GCEE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282843423 NEZOBTKVKNABFA-SNVBAGLBSA-N 386.254 0.538 30 10 GCEE C=C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCO1 2282848155 JYXDTDJVZYENCL-LBPRGKRZSA-N 383.279 0.295 30 10 GCEE C#CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CC1 2282855119 ZPQVPEJJWFOBHU-CYBMUJFWSA-N 379.291 0.800 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CCOC2)C1 2282855656 HVJPLVNKPHCHRU-UHFFFAOYSA-N 383.279 0.130 30 10 GCEE CCCNCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282878649 IXVNKNYLLGVCFG-UHFFFAOYSA-N 386.327 0.306 30 10 GCEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284404662 ZVCADNLUFDPLLP-GWCFXTLKSA-N 385.247 0.098 30 10 GCEE C=C(CS(=O)(=O)N[C@@H]1CCOCC[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284412195 ATPJRRSCDVEIOC-QWHCGFSZSA-N 389.279 0.973 30 10 GCEE C[C@H]1SC[C@H](C(=O)O)N1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2284426052 GQDRNELMSFOQON-MWLCHTKSSA-N 379.247 0.764 30 10 GCEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)OC1(C)C 2284434005 UAGDPVQTJHAZOU-GRYCIOLGSA-N 387.263 0.569 30 10 GCEE Cn1nccc1C=CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 2296959292 JWVNIGZSJRNOJK-UHFFFAOYSA-N 385.449 0.838 30 10 GCEE C[C@@H](C#CC(=O)O)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2302389526 CZHGSKYHCVNDSC-APPDUMDISA-N 396.396 0.407 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339678534 UVXWTRKEFUCBOE-KHSSZTOVSA-N 386.514 0.901 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H](C#N)c1ccccc1 2358562744 KEZHJGNKZREIPC-QXSJWSMHSA-N 375.425 0.751 30 10 GCEE COCCn1cc(C#C[C@@H](N)[C@H](O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 2366099059 JERPYKALVLKDBJ-BRWVUGGUSA-N 378.473 0.826 30 10 GCEE CC(C)(C)OC(=O)N[C@H](C1CS(=O)(=O)C1)[C@H](O)C#Cc1cnn(C2CC2)c1 2366135327 OCXLQJKHYHTDRR-HZPDHXFCSA-N 395.481 0.868 30 10 GCEE Cn1nccc1C#C[C@H](N)[C@]1(O)C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2367750832 OHYWTAGGYLDLSL-PASDCYSWSA-N 376.457 0.628 30 10 GCEE C#CCNC(=O)CNC1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2379412615 ZMPMKDPKIXNSKC-UHFFFAOYSA-N 393.362 0.768 30 10 GCEE CN(Cc1ccc(C#N)cc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 25117475 FOUCTRJSOJRCSD-UHFFFAOYSA-N 394.435 0.744 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 53423419 ZYSRPQRIYNFQOO-JKSUJKDBSA-N 379.505 0.311 30 10 GCEE CNC(=O)[C@H]1CCCCN1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 170909451 HEAFYUSAQRGHER-GOSISDBHSA-N 387.459 0.946 30 10 GCEE COC[C@@](C)(CCO)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 183185678 RSEIXDGQOVXBEZ-AZUAARDMSA-N 392.475 0.912 30 10 GCEE CCOc1cc(C=Nn2c(S)nnc(C)c2=O)ccc1OCC(=O)N(C)C 254822112 CXJQYMJVQFFPQR-UHFFFAOYSA-N 391.453 0.983 30 10 GCEE CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 265303994 NVYUJNHVSBJLOT-CQSZACIVSA-N 388.453 0.306 30 10 GCEE C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 273354468 CJDZLVXBFCWWRX-GUTXKFCHSA-N 388.873 0.517 30 10 GCEE Cc1nsc(N2CCN(Cc3nccn3S(=O)(=O)N(C)C)CC2)c1C#N 291532536 KKPUONJEPTVBAD-UHFFFAOYSA-N 395.514 0.496 30 10 GCEE CN(CCCCO)C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 298824068 USMHPZRSQFJZII-UHFFFAOYSA-N 395.463 0.986 30 10 GCEE C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2cccnc21 349610906 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C=CCCn1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nn1 820982366 IMRNZUGBUUYDOB-AWEZNQCLSA-N 398.485 0.683 30 10 GCEE CO[C@H](CS(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCOCC1 827555994 GSEYFFMPOLEOTQ-GOSISDBHSA-N 394.497 0.847 30 10 GCEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CNc2ccc(C#N)cn2)C1 840557378 YAQNPTVORYYIHH-UHFFFAOYSA-N 375.429 0.853 30 10 GCEE CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCN(C)S2(=O)=O)cc1 842689639 CDEDHIBQUROXKL-UONOGXRCSA-N 393.421 0.545 30 10 GCEE N#Cc1ccc(S(=O)(=O)NC(=O)C2(n3cnnn3)CCOCC2)cc1Cl 850826922 OASYUTVDAHPPRX-UHFFFAOYSA-N 396.816 0.209 30 10 GCEE N#CC(C#N)=c1sc(=Cc2ccnn2CC2CC2)c(=O)n1C[C@@H]1CCCO1 853444043 GZNAEDKEMKEAKP-INIZCTEOSA-N 381.461 0.722 30 10 GCEE CC(C)(C)OC(=O)[C@@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOC1 855641158 UAQRHHRBTZGZGD-LGHUBQEGSA-N 379.413 0.520 30 10 GCEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1CCOCC1 856112005 APLBDXHLMPFDMJ-AWEZNQCLSA-N 382.438 0.459 30 10 GCEE C#CC[C@H](COC)NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 859032622 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CN(CC1(CO)CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855450 DWZFTUYRSOUNPE-UHFFFAOYSA-N 385.295 0.112 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3OCC[C@@H]3C2=O)OC1(C)C 2282858336 VMIUENZIEHIBCZ-JQWIXIFHSA-N 399.299 0.983 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC12CCC2 2282860792 GMMBFWHXXNRLHH-UHFFFAOYSA-N 382.295 0.822 30 10 GCEE CO[C@H]1C[C@H]1CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282871378 GAFAROPBVNPBNL-RYUDHWBXSA-N 385.295 0.341 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)NC[C@](C)(O)C(F)(F)F)OC1(C)C 2283070288 VQTVKDFWIKTZJG-AWEZNQCLSA-N 375.156 0.819 30 10 GCEE C=C(CS(=O)(=O)NC[C@H]1CC[C@H](C(=O)O)CO1)B1OC(C)(C)C(C)(C)O1 2284395554 MRJMMFVMUQGTCF-QWHCGFSZSA-N 389.279 0.973 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H]3C(=O)O)cc2)OC1(C)C 2284406655 AVLJSCFXTOUDMT-RISCZKNCSA-N 381.259 0.985 30 10 GCEE CSCC[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284427379 AALMOVSFYGBPBP-LLVKDONJSA-N 383.279 0.655 30 10 GCEE C[C@H]1OCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]1C(=O)O 2284450560 FXDBIBGYWCLKMG-BXKDBHETSA-N 382.247 0.756 30 10 GCEE CO[C@H](CO)CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2295302387 WZQCQJYTBJNDLF-LBPRGKRZSA-N 389.254 0.411 30 10 GCEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CN(C(=O)OCc2ccccc2)C1 2301499311 KEGYHGJLIROKAU-MRXNPFEDSA-N 394.493 0.785 30 10 GCEE C#CC1(O)CCN(C(=O)[C@H]2[C@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 2358188021 UHZRDBMLOFRUBO-RBSFLKMASA-N 382.457 0.622 30 10 GCEE CN(C)C(=O)[C@@H]1C=CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362570297 WNHSHWMGGPIVAJ-LBPRGKRZSA-N 377.275 0.911 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@H](O)CC[C@@H]2C(=O)O)OC1(C)C 2362571927 USMNYTJQNCWCEX-MWLCHTKSSA-N 382.247 0.492 30 10 GCEE CCN[C@@H](C#Cc1cnn(CCOC)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2366099001 IQRRXFCQGNQFJZ-INIZCTEOSA-N 378.473 0.841 30 10 GCEE CN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@](C)(O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2368402608 BKOZOXHBLAKLNR-PNNYDICQSA-N 380.485 0.857 30 10 GCEE C#CCOCCON[C@@]1(C(=O)O)CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2376015898 KAFZBKRSFCBZRD-QZTJIDSGSA-N 384.429 0.781 30 10 GCEE C[C@@H](CN(C)C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2379869938 VTWFXNJFXSHPFD-LBPRGKRZSA-N 386.327 0.290 30 10 GCEE CC/N=C(/NCCc1nc(C)no1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261818820 UGCRDZMPZDKBGR-QGZVFWFLSA-N 377.449 0.196 30 10 GCEE CC(C)C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CCOCC2)C1 262414509 PXZCETLJJCPZIC-IRXDYDNUSA-N 386.562 0.429 30 10 GCEE CS(=O)(=O)N[C@@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 265356806 VJAFWBKCJTUDHA-OAHLLOKOSA-N 392.481 0.864 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O 266334289 YNUVIKPPVNAGCP-GFCCVEGCSA-N 394.428 0.479 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](CC)CO)CC1 267445766 OVQXCDVCCARHIF-HNNXBMFYSA-N 377.416 0.691 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 282757590 VCTSQDZGMMIKGZ-MRXNPFEDSA-N 398.460 0.970 30 10 GCEE C[C@@]1(C[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)NC(=O)NC1=O 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Cc1cc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)n2ncnc2n1 428248934 WXALTRZUNULEHB-UHFFFAOYSA-N 384.425 0.210 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)CC1 431097788 FEDZQZKONQPQIH-KRWDZBQOSA-N 387.484 0.493 30 10 GCEE CSCC[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448582416 VFSDGWXWGOAECD-AWEZNQCLSA-N 383.495 0.505 30 10 GCEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC12COC2 451133055 JLSCMEVZONLMOF-IRXDYDNUSA-N 392.500 0.190 30 10 GCEE Cc1cccc(CN(C)C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 459886571 OKGMIBTVXGWQNZ-UHFFFAOYSA-N 378.436 0.964 30 10 GCEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(Cc2nccn2C)CC1 459947176 ZZPLWDCPAUZRFO-UHFFFAOYSA-N 380.452 0.595 30 10 GCEE COc1cc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)ccc1C#N 460594736 BTGSNVPGQZCTGW-GJZGRUSLSA-N 391.449 0.219 30 10 GCEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)s1 462585478 WLOKUDHXBZIRHC-UHFFFAOYSA-N 387.487 0.532 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@](C)(O)Cn1ccccc1=O 468413130 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CCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cnn(C)c2)c1=O 588524392 LGHSNIAEHMMBIF-AWEZNQCLSA-N 386.477 0.552 30 10 GCEE C=CCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CCS(=O)(=O)C1 591649091 SHIYSIPWBPWMRU-INIZCTEOSA-N 378.498 0.649 30 10 GCEE CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594539561 CUHCWVIGQUWBHN-QWHCGFSZSA-N 387.483 0.676 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)cn1 595124022 HGURPQHIKUARMC-GFCCVEGCSA-N 376.323 0.306 30 10 GCEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 596689493 PEDCHKGCEXLNFU-KRWDZBQOSA-N 399.430 0.727 30 10 GCEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1(C#N)CCCCC1)C2 596863523 MIXDCABXKJNYLO-UHFFFAOYSA-N 389.460 0.132 30 10 GCEE CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(C)C1 597303736 JBHBHLKQFKPNIA-ZWKOTPCHSA-N 397.479 0.328 30 10 GCEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cn1 598992002 IMGVVCXKAPPRQQ-HNNXBMFYSA-N 379.424 0.388 30 10 GCEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCOCCCN)n2)c(Cl)c1 599899708 HKKKZBGGNRMFSU-UHFFFAOYSA-N 390.831 0.817 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CNC[C@H]32)CC1 601594769 NMOSUVALUCJNGQ-MLYOOKFZSA-N 393.491 0.663 30 10 GCEE C=CC(C)(C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 625575452 INQLUQHPMXRBJD-INIZCTEOSA-N 378.517 0.860 30 10 GCEE C=C(C)CN1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CC1 636739207 GMXUXVJMWZCRSN-FQEVSTJZSA-N 380.533 0.942 30 10 GCEE Cc1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccc(F)cc1 731861509 DQMBELIWHVBIIN-BMRADRMJSA-N 384.371 0.971 30 10 GCEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1=O 732651586 DGHATOOETLYRMW-HNNXBMFYSA-N 381.436 0.382 30 10 GCEE CCN1CCN(CC(=O)OCc2cc(Cl)ccc2OCC#N)C(=O)C1=O 735343920 KNVYNNSAQRKBNO-UHFFFAOYSA-N 379.800 0.976 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn(CC2(C)COC2)nn1 760221269 XDEXDIYUCZWWLL-UHFFFAOYSA-N 375.410 0.613 30 10 GCEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCc2nnnn2C)C1=O 771537730 LZQACYANSILORH-CYBMUJFWSA-N 387.469 0.829 30 10 GCEE 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0.979 30 10 GCEE C[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1S(C)(=O)=O 376372675 YEUMCGABAIQMJZ-LBPRGKRZSA-N 389.441 0.637 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(F)cc1C#N 438960880 IMLIICUZGZNOSQ-UXOAXIEHSA-N 396.396 0.811 30 10 GCEE Cc1cn2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc2n1 446524856 WJKRCTBGILYCKB-UHFFFAOYSA-N 384.440 0.656 30 10 GCEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1 453741729 KBSYMKMWGAFHCS-HNNXBMFYSA-N 378.454 0.574 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 459913587 JVIXWGSPOFHUFT-OAQYLSRUSA-N 395.463 0.336 30 10 GCEE CCN(CCCNS(=O)(=O)Cc1ccc(C#N)cc1F)S(C)(=O)=O 481023499 LOUCUHJJBUJVAE-UHFFFAOYSA-N 377.463 0.788 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC 504087026 VSOUOXMLXNCEBB-INIZCTEOSA-N 386.452 0.597 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1F 506744996 XZSVUERSKREAPF-DGCLKSJQSA-N 382.417 0.470 30 10 GCEE COCC1(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 517757822 WKFPPFWYLAXUCO-UHFFFAOYSA-N 387.483 0.583 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(F)cc1 532394239 KKAJCUGXPHTVLK-UHFFFAOYSA-N 394.431 0.991 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn(C)c1=O 546199069 GFKWQXXLEDLJDH-UHFFFAOYSA-N 380.408 0.248 30 10 GCEE C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)n1cnc(C#N)n1 547379108 SZFRCIIKLXEQTP-AWEZNQCLSA-N 382.424 0.826 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 564951563 NIZQWPBMSLBKSN-RTBURBONSA-N 384.480 0.863 30 10 GCEE N#Cc1ccsc1N1CC[C@H](N2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1=O 592155010 SRRVZVCTUQSLCU-BBRMVZONSA-N 381.479 0.615 30 10 GCEE CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 594636323 XGIAOIUUQWRRDI-NSHDSACASA-N 385.508 0.021 30 10 GCEE COCCOCCN(CCO)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 600241445 KIQBWMPESMNRCD-UHFFFAOYSA-N 380.445 0.555 30 10 GCEE CN1C2(CCC2)COC[C@@]1(CO)CNC[C@@H](O)COc1ccc(CC#N)cc1 600756262 UTOUJVPIBLVTCN-NQIIRXRSSA-N 389.496 0.698 30 10 GCEE CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 600765306 YBLAWLYIFIBBPK-BETUJISGSA-N 399.494 0.412 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 605979513 NOCDAJPGJMSDQN-HZPDHXFCSA-N 379.505 0.405 30 10 GCEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@H](C#N)C(C)C)CC2)C1 609484774 FNQXTCLAKPIUQD-RTBURBONSA-N 379.549 0.625 30 10 GCEE Cn1nccc1[C@H]1COCCN1CC#CCN1CCOC[C@@H]1c1ccnn1C 649884822 ASTAQHYGMBYCRZ-WOJBJXKFSA-N 384.484 0.604 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 668593327 VGBVGIAAUOLMAJ-LSDHHAIUSA-N 375.491 0.062 30 10 GCEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669806860 GASOMKVFMGTSPZ-ZDUSSCGKSA-N 387.444 0.173 30 10 GCEE CC1(C)OB(c2ccc(C#N)c(S(=O)(=O)N3CCOCC3)c2)OC1(C)C 725442073 QDXDTIDWOZQWCV-UHFFFAOYSA-N 378.259 0.878 30 10 GCEE CCCCN(C(=O)COC(=O)c1ccc(C#N)nc1)[C@H]1CCS(=O)(=O)C1 734600509 DPNPARJIOOVZMW-HNNXBMFYSA-N 379.438 0.926 30 10 GCEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CCN(c2ccccc2C#N)CC1 750045347 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C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccnn1C 867479443 RSOOSHKVWBLZMF-WBVHZDCISA-N 380.452 0.834 30 10 GCEE CC(=O)[C@](C#N)(CCN1CCOC[C@H]1CNS(C)(=O)=O)c1ccccc1 879061333 BESPLSVPQUGZMT-QZTJIDSGSA-N 379.482 0.677 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)COCCO2 882797293 JLYWFYKBUZSGLD-UHFFFAOYSA-N 393.465 0.523 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]34COC[C@@H]3C4)CC2)cc1 894192798 CJWPETHQXPHIBT-YJBOKZPZSA-N 375.450 0.864 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 909927852 YDROXXDMHMWIHP-KGLIPLIRSA-N 386.470 0.271 30 10 GCEE N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1 915777344 HEDNZHFQDSITGD-UHFFFAOYSA-N 394.435 0.957 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C1 923597002 KVOKOYSMGJZHBI-CQSZACIVSA-N 388.472 0.897 30 10 GCEE C#CCN1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 928656206 OQGLGMDSDBCLSY-AWEZNQCLSA-N 388.493 0.718 30 10 GCEE C#CC1(O)CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 931147128 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C#C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1337373606 OVUBZONNMQDSSH-SFHVURJKSA-N 398.463 0.910 30 10 GCEE C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F 1338023514 ZZOSWSRCTUIHIX-LLVKDONJSA-N 397.353 0.967 30 10 GCEE C#CCN(c1nnc([C@@H](O)c2ccccc2OC)n1C)[C@H]1CCS(=O)(=O)C1 1338712080 HQIDINCWEWRLND-BBRMVZONSA-N 390.465 0.532 30 10 GCEE C=CCn1c(C[S@@](C)=O)nnc1N1CC[C@](C(=O)NC)(C(F)(F)F)C1 1339182436 VXJQMPKFAXRZML-ZJWNCGCPSA-N 379.408 0.847 30 10 GCEE C=CCn1c(-c2cc(C)nnc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1340317077 RJFSOTHNVOIPFR-UHFFFAOYSA-N 396.499 0.939 30 10 GCEE C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1340539246 MKZXETXMDAPIPV-CQSZACIVSA-N 376.505 0.739 30 10 GCEE C=CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCO1 1343204907 JWDAXOAVGGYZRI-OAHLLOKOSA-N 399.517 0.631 30 10 GCEE C=C[C@H](O)c1nnc(N2CCO[C@@](C)(C(=O)OCC)C2)n1C[C@@H]1CCOC1 1344210046 JQASNVBXOUCLPI-SUNYJGFJSA-N 380.445 0.692 30 10 GCEE C#CCN(c1nnc(CCOC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 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CC(C)(C)OC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)NCC(=O)NCC#N)[C@H]2C1 1680957047 CDGLPVLHWIDMAE-YJNKXOJESA-N 391.472 0.913 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCOCC(F)(F)F)C1 1683562004 DIWJGYFCMRLXGJ-NDBYEHHHSA-N 380.363 0.234 30 10 GCEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1683751734 AELCUGXLBQPMRE-GDBMZVCRSA-N 396.444 0.341 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCO[C@@H]1CCOC1 1689829430 YHZZWQQGVYZEFX-RRFJBIMHSA-N 399.517 0.542 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC2)CC1 1690110762 YTHAOTGCCHDFCD-UHFFFAOYSA-N 381.440 0.206 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690122632 XJQPDNMANAFZDL-LAUBAEHRSA-N 396.495 0.944 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)NC)CC1 1690725410 PESJUXKQAMCMRG-UHFFFAOYSA-N 398.533 0.539 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CCN(C)S(C)(=O)=O)C[C@H]2C1 1691573455 URFMOVCSMPLJRQ-TWMKSMIVSA-N 385.530 0.249 30 10 GCEE C#CCN(C(=O)c1ccnn1C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1705359861 JQGJJNOWUUCMGN-LHHMMCJZSA-N 382.464 0.910 30 10 GCEE C#CCNC(=O)CC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1705458371 BHQLCCRKHNYJCT-DICRZQGBSA-N 375.469 0.438 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1705604675 QOFLDFLJSLVSQP-BBRMVZONSA-N 385.490 0.153 30 10 GCEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(N)=O)C1 1705728898 BMWXTMOPETZSCX-CQSZACIVSA-N 376.461 0.418 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccn2)CC1 1705903573 YHGZRHVYEZKTES-INIZCTEOSA-N 397.483 0.806 30 10 GCEE C=CCCCC(=O)N1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](c2cnn(C)c2)C1 1719479325 VNQCAAUQORZNNZ-RMRDIRSESA-N 390.484 0.991 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1722275817 GIOQMMJLUZPXNW-QJPTWQEYSA-N 391.444 0.770 30 10 GCEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 1722619566 AEAUNUYZJKIDML-AWEZNQCLSA-N 399.455 0.830 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722698290 XWLRMOLORPMSPI-KGLIPLIRSA-N 399.455 0.521 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1722726600 AHBWNNPDFOWQIA-AWEZNQCLSA-N 383.518 0.779 30 10 GCEE CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1729595343 FDSVZWMTHHWCJE-DNVCBOLYSA-N 387.488 0.426 30 10 GCEE C=CCNC(=O)CN(C)C[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1731416912 MUNQREXEKFUVBD-LSTDLKDCSA-N 379.501 0.511 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(N)=O)CC1 1740959307 REIRCRCLWBIVTI-UHFFFAOYSA-N 383.456 0.652 30 10 GCEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCC(=O)N3)CC2)c1C#N 1751827567 HDYFEKVMAXYJMA-CQSZACIVSA-N 383.460 0.105 30 10 GCEE C[C@@]1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CCS(=O)(=O)N1 1757818286 NDBSQHDBCSCURA-BSXFFOKHSA-N 379.482 0.120 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](OC)C1CCCC1 1757820827 GSAIKDGYEADHJS-JEWRLFTDSA-N 375.469 0.579 30 10 GCEE C#CCN(c1nnc(C)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760180929 NCSOFSVFEGPRCZ-MRXNPFEDSA-N 395.529 0.060 30 10 GCEE C#CCN1CCN(c2nnc(C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1760257041 NLIHJRZAWHFYNV-LJQANCHMSA-N 390.557 0.550 30 10 GCEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1760345135 KLZWWAHLVMZJSW-CQSZACIVSA-N 388.428 0.533 30 10 GCEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1760516768 VALQJNFSEDMACN-KGLIPLIRSA-N 378.433 0.033 30 10 GCEE NC(=O)NS(=O)(=O)c1cccc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772787001 SONVOELBBHEZSU-UHFFFAOYSA-N 389.345 0.412 30 10 GCEE Cn1cc(/C=C\C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 1772963052 NVDQTJLMGHXLLS-ZDTYVGOBSA-N 381.392 0.044 30 10 GCEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(F)c1)[C@@H]1CCN(C)C1=O 1849192784 FQJLHBNROYUMCT-SWLSCSKDSA-N 383.445 0.738 30 10 GCEE CCN1C(=O)CN(CC(=O)N2CCC(COc3ncccc3C#N)CC2)C1=O 1849721221 JNYYCQURMOVQQX-UHFFFAOYSA-N 385.424 0.855 30 10 GCEE N#Cc1c[nH][nH]c1=NC(=O)c1cc(Br)cnc1N1CCOCC1 1851624683 UFXRYAJIDFOIJT-UHFFFAOYSA-N 377.202 0.950 30 10 GCEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCN2CCOCC2)cc1 1853231177 JYEHKFARJHEIBO-INIZCTEOSA-N 379.482 0.114 30 10 GCEE C=CCN([C@H]1CCCN(C(=O)c2c(C)nn(C)c2C)C1=O)[C@@H]1CCN(C)C1=O 1853682210 JNXROVWZYLPOKW-JKSUJKDBSA-N 387.484 0.887 30 10 GCEE Cn1cnnc1C1CCN([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1854714875 WFSPQUHOBFERKV-INIZCTEOSA-N 379.424 0.702 30 10 GCEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ncno4)C3)CC2=O)cc1 1854949434 HOHMBTPZLDRLPW-INIZCTEOSA-N 380.408 0.500 30 10 GCEE C[C@@H]1C(=O)N(C(=O)COc2cccnn2)CCN1CC(=O)c1ccc(C#N)cc1 1855178312 YEEJTXULAFGKDO-CQSZACIVSA-N 393.403 0.669 30 10 GCEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNS(=O)(=O)N1CC(C#N)C1 1880970465 KPHMXVQLOHVRPW-CYBMUJFWSA-N 388.490 0.691 30 10 GCEE CNS(=O)(=O)CCN(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1963383943 FTWFHQSLWUVDDU-GFCCVEGCSA-N 376.479 0.581 30 10 GCEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)C[C@@H](C)C#N)C1 2054400260 CFGZXYLJNYOVFH-PGUXBMHVSA-N 375.447 0.664 30 10 GCEE COC1CN(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2105643459 IZZLBSYSDODIOE-UHFFFAOYSA-N 389.308 0.107 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2108331173 RZCAKHZGLLGXLI-CJNGLKHVSA-N 388.490 0.428 30 10 GCEE CC(=O)N[C@H](CS)C(=O)NC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2 2118575213 LMOIKIXLKYIBPD-SCTDSRPQSA-N 377.510 0.828 30 10 GCEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 2122537422 JPZKCANADWMFGH-KBPBESRZSA-N 382.442 0.866 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2124799568 HVMDONNHLHCJIL-UONOGXRCSA-N 388.490 0.692 30 10 GCEE CCn1cc(S(=O)(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1 2158597073 UPKZYELIKDZYNH-UHFFFAOYSA-N 379.251 0.793 30 10 GCEE CC1(C)OB(c2nc(=NC(=O)Cc3ccc(O)c(O)c3)s[nH]2)OC1(C)C 2166412862 DQUMBYNGKGVQRQ-UHFFFAOYSA-N 377.231 0.852 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)N1CCN(CCC#N)CC1 2181113182 VPICTLCOYBYFBJ-PMPSAXMXSA-N 378.473 0.926 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CN=c1[nH]ccc(C#N)c1[N+](=O)[O-] 2233974594 KYBICNJXHMKRJL-NTZNESFSSA-N 379.373 0.036 30 10 GCEE C=CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](CO)C2)[C@@H](C)C1=O 2236896024 HVMOYPGVTIUYNC-CKFHNAJUSA-N 381.473 0.898 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N3CCCC4(C3)OCCO4)nc2)OC1(C)C 2255802703 CREGJLPSAYUMNB-UHFFFAOYSA-N 375.234 0.755 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)C3=CCS(=O)(=O)CC3)O[C@@H]2C1 2265054704 QFBSDYURSGDVPY-MJBXVCDLSA-N 387.454 0.704 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 2266490685 BGGCRDAMLOZFGD-UIORMTCPSA-N 385.486 0.573 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)[C@H](C)O 2267358571 GQQNBZVFBCFDMF-ONGXEEELSA-N 391.320 0.376 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(CO)(CO)C2)OC1(C)C 2267366119 BAOJQCZHWRHYMU-UHFFFAOYSA-N 389.304 0.023 30 10 GCEE C=C(CS(=O)(=O)N1CC[C@](C)(O)[C@@](C)(O)C1)B1OC(C)(C)C(C)(C)O1 2267721393 QXMOMAYCDIZPBS-HOTGVXAUSA-N 375.296 0.712 30 10 GCEE C=C(CS(=O)(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2269033115 UIAUPMDWHINUHV-NEPJUHHUSA-N 375.252 0.271 30 10 GCEE C=C(CS(=O)(=O)N[C@H](CCN(C)C)C(=O)O)B1OC(C)(C)C(C)(C)O1 2269034081 AKUCQKKXGANNAM-GFCCVEGCSA-N 376.284 0.498 30 10 GCEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@@H]1C#N)C1CS(=O)(=O)C1 2270554497 KVMOZMZOCKZVOD-MNOVXSKESA-N 393.412 0.684 30 10 GCEE Cc1c(C(=O)N(C)[C@H](C)C[S@](C)=O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808451 VZCGYNAEHIKJHT-QYOLQKOISA-N 383.323 0.867 30 10 GCEE Cn1nc(C(=O)N=[S@@]2(=O)CC[C@@H](CN)C2)cc1B1OC(C)(C)C(C)(C)O1 2281970526 DKAFZYGWGFMWEA-KPHLJTLVSA-N 382.295 0.306 30 10 GCEE Cn1cc([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cn1 2281980217 SMXTWCXEFAMOSZ-AREMUKBSSA-N 379.251 0.740 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@H](N)C1 2282004045 GXVYPAJNCXZRHQ-LJZMDLFKSA-N 382.295 0.367 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)OC1(C)C 2282061936 QZZDYCSNRKATHG-NEPJUHHUSA-N 379.291 0.333 30 10 GCEE CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(C)(=O)=O 2282179596 NMQBXQYVQGZOGS-UHFFFAOYSA-N 382.291 0.607 30 10 GCEE CN1C(=O)CC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1=O 2282195220 KDUQOWLPPQMLBW-LLVKDONJSA-N 378.259 0.925 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C(=O)NC(=O)[C@@H]4C3)cs2)OC1(C)C 2282201049 SNKPQAAHEGGFHP-GHMZBOCLSA-N 376.243 0.392 30 10 GCEE Cc1cc(S(=O)(=O)N[C@]23CNC[C@H]2C3)ccc1B1OC(C)(C)C(C)(C)O1 2282305116 UFBZBMQPWWWSLS-FZKQIMNGSA-N 378.303 0.934 30 10 GCEE C#CC(CC)(CC)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282317063 LVPDLGCUZSTDCB-UHFFFAOYSA-N 382.295 0.585 30 10 GCEE CCC(CO)(CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282332631 DUFWSRNRRDHCIE-UHFFFAOYSA-N 385.291 0.398 30 10 GCEE C[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282353482 VWTGQICDRSGXBV-AAEUAGOBSA-N 385.295 0.423 30 10 GCEE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282419350 OQXZVLFDUVMKDW-SNVBAGLBSA-N 386.254 0.532 30 10 GCEE C=C[C@@]1(O)CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282499537 PZHHSOOEKIBTDP-MRXNPFEDSA-N 383.279 0.031 30 10 GCEE Cc1nc(S(=O)(=O)NC[C@H]2CC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508259 UCPXAWIWGBUQKZ-VXGBXAGGSA-N 385.295 0.077 30 10 GCEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CNC[C@@H]21 2282545493 RTFGWBJVMCLMFY-DDFAGTSDSA-N 380.685 0.663 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H]4C[C@@H](O)C[C@@H]43)ns2)OC1(C)C 2282603930 MXLQPBWAAVJEDW-WCFLWFBJSA-N 380.275 0.807 30 10 GCEE CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282605841 ACMWMGDOOUKBTL-RYUDHWBXSA-N 377.275 0.888 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCOC[C@@H]3N)c(Cl)c2)OC1(C)C 2282608539 VWRCUEYPQRCADC-QWHCGFSZSA-N 381.669 0.880 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ncc(Cl)n2C)n1 2282614102 PKZFAVANDVPFKY-UHFFFAOYSA-N 380.645 0.431 30 10 GCEE CN(CCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282648569 PRWLVULGWOSZNL-UHFFFAOYSA-N 382.291 0.607 30 10 GCEE COCC[S@@](=O)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282672050 ZXAKDICPTCMHPD-SANMLTNESA-N 382.291 0.506 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CC(F)(F)F 2282694420 SZHDBPVCYGGTNA-UHFFFAOYSA-N 378.160 0.111 30 10 GCEE C=C1CC(CO)(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282835921 CFFQYGRVINHVHT-UHFFFAOYSA-N 383.279 0.079 30 10 GCEE C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282841022 LKGNBCROPFRTDP-NEPJUHHUSA-N 385.295 0.111 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](C)CN1 2282850097 LANHMJUCJHCORJ-RYUDHWBXSA-N 384.311 0.090 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC=CC[C@H]3CO)c2)OC1(C)C 2282862101 YPQWYOGGWCDDNI-AWEZNQCLSA-N 380.275 0.692 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N3C[C@@H]4C(N)[C@H]4C3)c2)OC1(C)C 2282879333 SFEFOBMMDVURAV-GJZGRUSLSA-N 378.303 0.705 30 10 GCEE CC(C)N(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2284396763 FXMYAMCYDSNVCJ-UHFFFAOYSA-N 387.267 0.203 30 10 GCEE Cn1cc(C#C[C@H](N)[C@]2(O)CSC3(CN(C(=O)OC(C)(C)C)C3)C2)cn1 2340480769 SVZWNNGPCOPUKY-KBXCAEBGSA-N 378.498 0.956 30 10 GCEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2341145576 NDYCLPVIJKUMCW-JTQLQIEISA-N 385.272 0.802 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2342067960 ZOAGGEPOEZEUJU-SUNYJGFJSA-N 386.514 0.950 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)OC1(C)C 2362565551 FRGOXEDRYBLWFG-KOLCDFICSA-N 382.247 0.662 30 10 GCEE C#CCN(C)CCNC(=O)C1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2365121241 QKZFENKXNFESTK-UHFFFAOYSA-N 378.517 0.999 30 10 GCEE CCCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2367305590 UFWQMQIBYOZCOK-OOBKVVHMSA-N 380.485 0.905 30 10 GCEE C#CC[C@@H](O)CNC1(C(=O)O)[C@H]2COC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2376817525 VHAIFEYEABWHEU-HPGUFFEFSA-N 382.457 0.733 30 10 GCEE N/C(=N/O)c1cc(Br)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1 132953580 UYAIACDNHNYCKL-ZETCQYMHSA-N 376.232 0.917 30 10 GCEE C#CCN1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 177246974 KIGUZPQHTUJROX-UHFFFAOYSA-N 381.436 0.200 30 10 GCEE COC[C@H](O)CN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 183177879 DXTGKZAXAHOHDO-MSOLQXFVSA-N 378.448 0.474 30 10 GCEE C=CCNC(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1 244384786 YDFKRIXXIQGTKW-UHFFFAOYSA-N 388.449 0.617 30 10 GCEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 255344107 PYUNDCUOBTWZFK-AWEZNQCLSA-N 381.413 0.844 30 10 GCEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(C)[C@@H](C#N)C3)CC2)C1 329943934 WMYNEVGCKHGIFI-AEFFLSMTSA-N 375.517 0.623 30 10 GCEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]1C1CC1 349485475 UEKBFFJXNKTDPL-GJZGRUSLSA-N 391.515 0.135 30 10 GCEE CCCn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349495240 DWPWZXVNTGTHKM-UHFFFAOYSA-N 375.476 0.210 30 10 GCEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 372503932 OVKUJVAEQKRSFX-AWEZNQCLSA-N 398.510 0.298 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC[C@@H]1N 415450804 KIIFAALWFNAJHL-RISCZKNCSA-N 386.843 1.532 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 415959016 XYZMTRRLIIMMNU-UHFFFAOYSA-N 393.455 0.507 30 10 GCEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC12CCSCC2 422101859 QAXYXANSTAEARP-CYBMUJFWSA-N 395.572 0.614 30 10 GCEE CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1C[C@@H]2CC[C@H](C1)N2 423590389 IIELGOQSFKJMTO-XNMUZJSGSA-N 395.507 0.964 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 425881525 KUAXJKNMHRIFJV-INWMFGNUSA-N 395.481 0.479 30 10 GCEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)n1 442382685 NYZYBSCOBUQVNF-JSGCOSHPSA-N 386.456 0.965 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 453747865 PBYTYSZMLJUHLB-HNNXBMFYSA-N 378.454 0.688 30 10 GCEE C[C@@]1(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)NC(=O)NC1=O 480708583 MFHKJSZHGCCBED-KRWDZBQOSA-N 394.428 0.837 30 10 GCEE CN1CCC2(CCCN2C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 521979773 CBAQLFHJGMGWLQ-UHFFFAOYSA-N 396.495 0.689 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)N2CCNCC2)CC1 528045843 GGMCQJJGBJPNPA-UHFFFAOYSA-N 377.470 0.198 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CC2)n1 551494942 QKUITGGCGQZKHC-UHFFFAOYSA-N 391.435 0.983 30 10 GCEE C=C(C)Cn1c(SCC(=O)N2CC[C@](O)(C(N)=O)C2)nnc1-c1ccco1 552187851 QONODKZWTUXLRU-QGZVFWFLSA-N 391.453 0.655 30 10 GCEE N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 554628650 UZEALPQDRFGUBI-GOSISDBHSA-N 392.415 0.554 30 10 GCEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)[C@H](C)n2cnc(C#N)n2)s1 560803538 CDKSIYYIPTZATB-UTLUCORTSA-N 376.446 0.904 30 10 GCEE CC[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C[C@@H]1O 565231164 ALQKVGUOKJUHAY-WFASDCNBSA-N 399.494 0.412 30 10 GCEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CN1CCCc2ccccc21)C(=O)O 569128855 LLBYXSFIRYYQBH-HIFRSBDPSA-N 380.470 0.961 30 10 GCEE N#Cc1cnc(N2CCN(CCn3nc(-c4ccncc4)ccc3=O)CC2)cn1 585587147 MLDYZFXDELACIO-UHFFFAOYSA-N 388.435 0.789 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 593603140 HXUYTYZOYVMUGW-GJZGRUSLSA-N 379.438 0.438 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(C#N)cn1CC 593727782 ZLJDTGRFJFNSFF-RPTJNQDTSA-N 392.437 0.227 30 10 GCEE Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H]4COC[C@H]4C3)CC2)c1C#N 595215942 GJVJNYPTVMXXSY-UONOGXRCSA-N 389.481 0.467 30 10 GCEE CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3(C#N)CCCCC3)CC2)C1 597400896 HUSHFDUDXQLVEK-QGZVFWFLSA-N 375.517 0.815 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C[C@H](C)N1CC#N 601488874 DFJWEBXPDSRHOJ-RYUDHWBXSA-N 389.474 0.836 30 10 GCEE CCOC(=O)COc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609341853 ANJVTGACFUQYRI-UHFFFAOYSA-N 388.424 0.671 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 619989627 OPZPHQAUFVVLEZ-OAHLLOKOSA-N 394.497 0.979 30 10 GCEE C=CCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 643698922 YAUVMWKQUZJPEU-SFHVURJKSA-N 378.477 0.968 30 10 GCEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccn2)c1=O 647610757 NPHCSNDAHLRCKL-UHFFFAOYSA-N 391.456 0.900 30 10 GCEE C=CCn1c(-c2nnn(C)c2C)nnc1N1CCN(CCOCCOC)CC1 652562324 XTGLWPFGUFURBQ-UHFFFAOYSA-N 390.492 0.353 30 10 GCEE C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 657996374 PPMPFVHHRVELDC-MRXNPFEDSA-N 395.481 0.604 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C3CCNCC3)C2)C1=O 662939303 DOSCMNXMTLHRJG-SJORKVTESA-N 376.501 0.470 30 10 GCEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729331258 ANPPUZUGMKWEMC-GOEBONIOSA-N 390.461 0.697 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1=O 744440567 OOZXYRXLLHWWGU-SJORKVTESA-N 389.500 0.448 30 10 GCEE COCCN(CCC#N)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755246106 WJZSTUDICDEDGB-CQSZACIVSA-N 382.461 0.891 30 10 GCEE C#CCN(C(=O)CCNC(=O)c1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 757904629 OYQBYFBGWPDMJV-CQSZACIVSA-N 378.450 0.469 30 10 GCEE CC(C)(C)n1nnnc1COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 766172314 DYPTZRDTSHZBBB-UHFFFAOYSA-N 392.441 0.977 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2C(C)(C)C)c1 766179511 DOPXKDGKDIONGX-UHFFFAOYSA-N 377.426 0.697 30 10 GCEE C#CCN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 770231018 NEQCGQCMPHPMDU-AWEZNQCLSA-N 385.486 0.781 30 10 GCEE C#CCN(C(=O)NCCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 774224491 CSDFSTVMFKBHHU-KRWDZBQOSA-N 391.493 0.763 30 10 GCEE N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)C(=O)N1CCS(=O)(=O)CC1 793143607 NPOQKZFGQCUUBG-ZETCQYMHSA-N 381.357 0.741 30 10 GCEE C#CCN1CCN(C(=O)CN[C@](C)(CC(=O)OC)c2cccc(F)c2)CC1 796498425 DPRHVPAXZUDPEA-HXUWFJFHSA-N 375.444 0.971 30 10 GCEE C#C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 810099119 FGXHLZHQYXBROQ-CQSZACIVSA-N 391.902 0.426 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 846056830 BEELYXQMHHNJAU-UHFFFAOYSA-N 390.415 0.009 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 848366909 UFTPUXJQUDKTRV-RISCZKNCSA-N 392.437 0.324 30 10 GCEE C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCc2cccnc21 848960233 ZDDNAPCVFQEJKY-CQSZACIVSA-N 385.511 0.837 30 10 GCEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccccc1CC#N)c(=O)n2C 849211269 XHWSBURFYAIQEG-UHFFFAOYSA-N 381.392 0.747 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@H]1F 850716123 SDBVWUJTDQEKPR-CHWSQXEVSA-N 394.407 0.809 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 853818507 HNUZXTVWXAETGK-DJJJIMSYSA-N 392.456 0.693 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@@H](C#N)CO)nn2)CC1 854871110 QPFQSCDHRDMWDW-QWHCGFSZSA-N 378.433 0.854 30 10 GCEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CC[C@](C)(C#N)C3)cnc21 856197760 VQPOFNMTVHGCID-CQSZACIVSA-N 379.218 0.655 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@]4(CCNC4)C3)CC2)cc1 868411198 UPPRINODLHKIJW-OAQYLSRUSA-N 381.480 0.809 30 10 GCEE C#CCCN1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 903637742 PXCBUBHYIITHQQ-UHFFFAOYSA-N 377.466 0.575 30 10 GCEE C[C@H](CC(=O)N1CC[C@H](N2CCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 912915764 QXBGZSNXUKDLMJ-KGLIPLIRSA-N 376.482 0.810 30 10 GCEE C=CCOC[C@H]1NC(=O)N(Cc2ccc(CS(=O)(=O)N(C)C)cc2)C1=O 925170373 NPCWRPCMDLVWCB-OAHLLOKOSA-N 381.454 0.701 30 10 GCEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 926533902 UXYGBIYWGFENKM-UHFFFAOYSA-N 386.518 0.637 30 10 GCEE CN1C[C@@H]2CN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@]2(C)C1 929953727 SALXYYUEFVLFFM-IERDGZPVSA-N 396.495 0.448 30 10 GCEE C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 931221307 OELONVIXTAWTMX-SJORKVTESA-N 396.557 0.912 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1OC 941975420 MTIPQHVDHQGXBI-LHHMISFZSA-N 376.457 0.515 30 10 GCEE C=C1CCC(CNC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 1119917772 OFWXNERJZNQBSM-MRXNPFEDSA-N 386.514 0.901 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCN(CC(F)F)CC1 1121602487 YTIKXEQUCSGECB-NSHDSACASA-N 376.433 0.215 30 10 GCEE CCc1ccccc1-n1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1 1134280287 WLCWZOMSFXMVNX-KSSFIOAISA-N 385.449 0.840 30 10 GCEE C#CCC[C@H](O)CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1138991593 RQZUOINNYQLNDC-LSDHHAIUSA-N 381.473 0.640 30 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N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCOC[C@H]2[C@H]2CCCO2)cn1 507339259 RKYVMJIBKXQCHJ-JKSUJKDBSA-N 396.407 0.484 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)c2nc(C)cs2)CC1 507737806 RDETZGCAUAQKLS-CYBMUJFWSA-N 393.513 0.118 30 10 GCEE Cc1nccn1CCCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 508716740 KVKCFKXMJKUQDB-UHFFFAOYSA-N 395.467 0.703 30 10 GCEE Cc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1S(=O)(=O)NCC#N 545284288 KGTPWXAOCBUQCU-LBPRGKRZSA-N 379.360 0.840 30 10 GCEE N#Cc1ncn(CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 561294892 LOZYEKUWZOXEMR-UHFFFAOYSA-N 391.185 0.673 30 10 GCEE C=CCOC[C@H](NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 571345642 QCXRPFQXALWWGD-WFASDCNBSA-N 384.454 0.812 30 10 GCEE C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 573339445 LWEMNNCTLACBES-WFASDCNBSA-N 387.483 0.318 30 10 GCEE C[C@@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)C2CC2)c1 574531684 FNUQAQGPIQBEMG-LBPRGKRZSA-N 387.483 0.365 30 10 GCEE Cn1ccc(N2CCC[C@H](NCCS(=O)(=O)c3cccc(C#N)c3)C2=O)n1 582117377 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Cc1scc(C(=O)N2CCOC[C@H]2C(N)=O)c1B1OC(C)(C)C(C)(C)O1 2369533704 OSZRXTVNFZDRKQ-LBPRGKRZSA-N 380.275 0.682 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2377346504 ZDBOPPNNHQLLJU-VPZZIHKRSA-N 382.457 0.421 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2379601025 UYGZFECOYUSGPP-AUUYWEPGSA-N 384.473 0.669 30 10 GCEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1 72443711 CPIJPZCYBCKNRG-KGLIPLIRSA-N 392.419 0.695 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1 119830227 FIFLVXXPHUQBDV-UHFFFAOYSA-N 384.421 0.974 30 10 GCEE C#CCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CCS(=O)(=O)C1 123703987 UOKGZXPLZMQKRM-OAHLLOKOSA-N 376.413 0.728 30 10 GCEE C[C@@H]1CN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 261829702 PXTUOYZRLOAMGD-SNVBAGLBSA-N 378.857 0.793 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 279934583 GQXYUARYFMLDJH-UZLBHIALSA-N 381.436 0.975 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]12CCOC2 349443660 BFCDRTATTDRXHP-XJKSGUPXSA-N 399.494 0.821 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)CC)c2)CC1 362412548 GYZQGGFGBKHEAY-UHFFFAOYSA-N 391.493 0.378 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](c3ccnc(N)n3)C2)CC1 366003526 LOYRFHMERAPOAM-AEFFLSMTSA-N 385.516 0.931 30 10 GCEE N#C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCN1C1CC1 370985684 ONALPPUVMKGSKX-WBVHZDCISA-N 384.415 0.444 30 10 GCEE CC(=O)N1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 410651450 HDZKPXFBYHYGMR-MRXNPFEDSA-N 397.479 0.282 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 410774020 WKAWBTIFSGHWGS-PKOBYXMFSA-N 398.507 0.837 30 10 GCEE CC(C)[C@H](N)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 418415103 UEWFDPXHKSKGFD-OAHLLOKOSA-N 379.486 0.557 30 10 GCEE C[C@H](N)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 420124266 MGHQVQNEFLTHJB-HNNXBMFYSA-N 392.463 0.938 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC)c(OC)c2)CC1 453688355 GPRQUONRQGUAKT-UHFFFAOYSA-N 388.468 0.643 30 10 GCEE COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 464947930 CQKGWEADJZIRLJ-JKSUJKDBSA-N 387.488 0.679 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 468153418 KFKDXJBEZVPJLI-INIZCTEOSA-N 378.450 0.971 30 10 GCEE COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 502991645 OSCJJMWWYONDPY-AWEZNQCLSA-N 394.435 0.883 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC2CCS(=O)(=O)CC2)cc1 558556593 PZQIXPDEOQHUMA-UHFFFAOYSA-N 399.494 0.168 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 559278301 IFDDNBQZGOOZKD-UHFFFAOYSA-N 387.488 0.075 30 10 GCEE COCCOc1ncccc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 569773181 QDWNNXDORQYGED-UHFFFAOYSA-N 390.421 0.895 30 10 GCEE COC(=O)Cn1ncc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1C 570208308 ALXUEAMJUCHVGM-UHFFFAOYSA-N 385.380 0.500 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 588675698 ZKEAZYWICOROAT-UHFFFAOYSA-N 389.424 0.582 30 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C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 834800982 LPOCVWOXKSKJTK-AEFFLSMTSA-N 382.464 0.951 30 10 GCEE COc1ccc(N)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 840648500 ROKHXDFISFJFNZ-UHFFFAOYSA-N 399.407 0.951 30 10 GCEE COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 846049194 BZHPYXUTEIKCHY-AWEZNQCLSA-N 398.423 0.553 30 10 GCEE CC1(c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc2)OCCO1 848460556 KZSDOFIXILOCCM-UHFFFAOYSA-N 379.438 0.653 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1C[C@@H](C(N)=O)N(C(=O)c2ccccc2)C1 851110525 ZTAYRZKEBOWOEU-IKGGRYGDSA-N 387.436 0.769 30 10 GCEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[C@](C)(C#N)C3)C2=O)c1 852684712 MYOQGVFVXCWNCV-MOPGFXCFSA-N 385.424 0.729 30 10 GCEE O=C(C#CC1CCNCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 852804981 LAMNUGGNDNDQNC-UHFFFAOYSA-N 397.447 0.801 30 10 GCEE CNCCOCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 859634867 KURNBONACCLSEV-PGMHBOJBSA-N 397.501 0.857 30 10 GCEE O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C=NNCCCN1CCOCC1 863111327 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GCEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 1120483224 ZEKRWGRJMYRLEZ-CABCVRRESA-N 393.484 0.877 30 10 GCEE C=CCn1c([C@@H]2CCCN2C)nnc1N1CCC[C@@H](CS(=O)(=O)NC)C1 1121681546 CHDTZHQXACXOTB-CABCVRRESA-N 382.534 0.996 30 10 GCEE C=CCn1c(N2CCN3[C@@H](CNS3(=O)=O)C2)nnc1[C@]1(C)CCC=CO1 1121691135 UQNBEBSXTYJYHF-BBRMVZONSA-N 380.474 0.342 30 10 GCEE C#CCN(c1nnc([C@@H]2CNC(=O)C2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1122650736 TWJBTOIPKWMVAT-UONOGXRCSA-N 379.486 0.164 30 10 GCEE COC1(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CS(=O)(=O)C1 1128267846 MDFPDXXFQWQCOR-UHFFFAOYSA-N 379.438 0.573 30 10 GCEE CN1CCc2c(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cccc2C1=O 1131340928 MCNDKVNWJJVUOS-UHFFFAOYSA-N 398.444 0.992 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccnn2C)cc1 1143088055 SFHLFTVRCQPWKZ-OAHLLOKOSA-N 392.437 0.529 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccc(C)cn23)cc1 1162307495 XPRQGZOCCUUYJN-UHFFFAOYSA-N 383.433 0.879 30 10 GCEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 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C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 875263249 LLEOHNYUHBMAQV-ZWKOTPCHSA-N 386.496 0.468 30 10 GCEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1 875386470 ORKYKODGZCGEQB-BRSBDYLESA-N 380.533 0.282 30 10 GCEE C#CCN(C(=O)NC[C@H]1CC(=O)c2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 876187180 DDCFQHDRTAOLRM-ZIAGYGMSSA-N 376.434 0.852 30 10 GCEE C#C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 890652073 IYMULKVVWUHZAM-ZDUSSCGKSA-N 383.495 0.677 30 10 GCEE C#CCN(C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)C1CCN(C(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)CC1 913788694 LUBBCAFKTHCDQU-VJMZCAKNSA-N 382.460 0.889 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C(=O)OC)cc1 917926211 ZSRALSOCIRQXCG-OAHLLOKOSA-N 385.463 0.425 30 10 GCEE C#CCN1CCC(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 928657049 NRCVNXWCFDOZTP-IBGZPJMESA-N 382.468 0.988 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](OC)C1 941548598 NTPMEIXAXQEFME-VLXAULBPSA-N 378.429 0.361 30 10 GCEE CC(C)[C@@]12O[C@@H]1[C@]13O[C@H]1C[C@@H]1C4=C(CC[C@@]1(C)[C@@]3(O)[C@@H](O)[C@H]2O)C(=O)OC4 1078027039 FMCYKVIHEKZEQY-YEXHDIEJSA-N 378.421 0.058 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CS(=O)(=O)c2ccccc21 1116348395 DGIZUHOTQSDOAU-WGKGOADCSA-N 375.406 0.548 30 10 GCEE N#Cc1ccc(CCNC(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1118739309 OFZFQRNQQZYTSJ-RTBURBONSA-N 396.491 0.977 30 10 GCEE C#C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1119672277 YLNNJYVWROTSME-GOSISDBHSA-N 383.448 0.790 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCC1(n2cc(Br)cn2)CC1)[C@@H]1CCCO1 1119780197 JNXOLYLRQLCSRX-STQMWFEESA-N 395.257 0.548 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCC)CC2)c(Cl)c1 1120805014 ALTLWIFZEBZRHN-UHFFFAOYSA-N 376.844 0.540 30 10 GCEE C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1121530377 JMZLCBQVSKEPFC-RLFYNMQTSA-N 395.529 0.292 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(c2nccnc2C)CC1 1121611297 YKTXDTWWKIPFAD-CVEARBPZSA-N 384.488 0.627 30 10 GCEE C=CCn1c(-c2nc(C)n3cccnc23)nnc1N1CCO[C@H](C(=O)OC)C1 1121708184 JTDMBBXGQVBCMD-ZDUSSCGKSA-N 383.412 0.860 30 10 GCEE C=CCn1c(-c2ncn(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1121721026 FMQSOJZQHWYPQI-UHFFFAOYSA-N 387.492 0.250 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3COCCN3C)n2Cc2cc(C)on2)CC1 1123865719 ZMRJIXRCXPUUCZ-QGZVFWFLSA-N 385.472 0.381 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCS(=O)(=O)CC1 1143781304 LQBNJGWQQVFIGY-AWEZNQCLSA-N 387.502 0.140 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(OC)(c3cnnn3C)C2)cc1 1176841483 XFWWLJRZIKDHMC-UHFFFAOYSA-N 391.453 0.277 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 1261358583 YVNMEBOGBAWFAG-KRWDZBQOSA-N 375.469 0.535 30 10 GCEE C=C(C)Cn1c(N2CC[C@](OC)(C(=O)OC)C2)nnc1[C@@]1(OC)CCOC1 1263296952 XIPKIXIKMVXGCW-QZTJIDSGSA-N 380.445 0.885 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCCO1 1263441388 ICNXCFXPPXDJIO-ULQDDVLXSA-N 377.489 0.835 30 10 GCEE C=CCOCCn1nnnc1N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1263695258 WPROPMYOJLZVPO-AAEUAGOBSA-N 395.407 0.822 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCC(=O)NC(=O)NCC)C1 1264480678 GEVPKIYEBQJWMB-IVSAIRAKSA-N 380.489 0.688 30 10 GCEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1286389557 MISCPVUTZNSWCC-LSDHHAIUSA-N 391.497 0.822 30 10 GCEE C#CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1294986938 QJJVHESJTNBCPT-BQULAQKPSA-N 376.453 0.278 30 10 GCEE CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1297687195 AELUZHPXAGUPRL-UHFFFAOYSA-N 382.490 0.591 30 10 GCEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCNS(C)(=O)=O)CC1 1300681750 AFIAFJFWISGIMB-HNNXBMFYSA-N 382.534 0.486 30 10 GCEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1302893899 FIZDQCHYYCJGOY-MRXNPFEDSA-N 399.492 0.858 30 10 GCEE N#Cc1ccc(Cn2c(=O)c(C#N)cn(CCO)c2=O)c(Br)c1 1307372784 ZEHHLHJAAKFSKT-UHFFFAOYSA-N 375.182 0.556 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)cc1 1310130734 DNJYZPKUKCPZQY-HUUCEWRRSA-N 397.497 0.948 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318852492 YTFAVCUCROUKSR-HTXNQAPBSA-N 380.408 0.518 30 10 GCEE Cc1cc(C)cc(CN(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1323418710 CKWSKSITTZTHFX-ZCXUNETKSA-N 384.436 0.904 30 10 GCEE CC1(C#N)CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 1325386674 OGPZQEDSCWZQAN-UHFFFAOYSA-N 389.456 0.510 30 10 GCEE N#Cc1cccnc1NCCNC(=O)C(=O)NCC[C@H]1COc2ccccc2O1 1325550190 IHHGBJGKIYZAAL-HNNXBMFYSA-N 395.419 0.828 30 10 GCEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@](C)(COC)C1 1328864089 FOWQLZAGHIFIPT-HXUWFJFHSA-N 389.452 0.797 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1333188974 JQNIUSRKUATLEN-KRWDZBQOSA-N 391.493 0.709 30 10 GCEE COC(=O)c1cnc([C@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)C2)s1 1333690848 FOVCDEGEDBETFS-NWDGAFQWSA-N 392.437 0.387 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1335190648 CRFHZLZISRSLBT-ROUUACIJSA-N 382.464 0.372 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@@H]23)CC1 1335200538 VIEMBCLVDUCZAJ-SRABZTEZSA-N 377.485 0.847 30 10 GCEE C#CC[C@@H]1CCN(c2nnnn2CCN(C)S(=O)(=O)c2cccs2)C1 1336098269 XSJHDOMHORHYOX-CYBMUJFWSA-N 380.499 0.905 30 10 GCEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1337932012 KSFBMWSJAHLWTI-LJQANCHMSA-N 394.493 0.911 30 10 GCEE C#CCN1CCCC[C@@H]1c1nnc(N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)n1C 1339888696 KJWHYUBNUAHUGR-DNVCBOLYSA-N 386.456 0.874 30 10 GCEE C=C(C)Cn1c(CN2CCC(CO)CC2)nnc1N1CC[C@H](NC(=O)OC)C1 1342027042 KPXXGLIBQFFQIE-INIZCTEOSA-N 392.504 0.993 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1342037993 POWBLBZCVDJGRK-ZIAGYGMSSA-N 397.501 0.603 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](C)c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1343221132 GGXTVQCUNOVAAV-VXGBXAGGSA-N 384.404 0.791 30 10 GCEE C=C[C@@H](O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1C[C@@H]1CCOC1 1344209177 FZKCNXBXIAAFHU-GOEBONIOSA-N 375.473 0.983 30 10 GCEE C[C@H]1CN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)CCS1(=O)=O 1351933256 VAYWTEDQBKYVMU-ZDUSSCGKSA-N 375.450 0.283 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1357115599 FDROUMDNBDLZRE-QPSCCSFWSA-N 376.461 0.526 30 10 GCEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1359216420 WBMHMDOKMOECSS-KBPBESRZSA-N 381.502 0.848 30 10 GCEE N#Cc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cn1 1459370945 RKXWQVISSPVOHM-UHFFFAOYSA-N 380.376 0.869 30 10 GCEE N#Cc1cn(C2CN(C(=O)NC3CCN(c4ccncc4)CC3)C2)c(=O)nc1O 1471579747 OOJPOGXBUBQNBM-UHFFFAOYSA-N 395.423 0.451 30 10 GCEE Cn1ncc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1I 1472518456 OXLOIYHPWVVZCE-JTQLQIEISA-N 387.225 0.990 30 10 GCEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1 1504883956 GRORUOAPMFOWJV-UHFFFAOYSA-N 385.428 0.817 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1507601285 OKLSINMOHLLQQR-MLGOLLRUSA-N 397.526 0.927 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2nncn2CC)CC1 1507739276 DOZQEUQPQWNCKG-UHFFFAOYSA-N 396.499 0.856 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1508071601 APVUADNWWIPYCN-CYBMUJFWSA-N 398.533 0.612 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCOc2cccnc2)C1 1512968784 VSBUDILXRJHRST-TVFCKZIOSA-N 389.452 0.520 30 10 GCEE N#CCNC(=O)CNC(=O)c1cnc(Br)c(Br)c1 1520737862 ULYFEVNBAWUZLZ-UHFFFAOYSA-N 376.008 0.976 30 10 GCEE C#CC1(O)CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 1520928801 DFDUEUWEWFHBBC-UHFFFAOYSA-N 377.466 0.896 30 10 GCEE C=C(C)Cn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCO[C@@H](C(=O)OCC)C1 1524203262 HJBZBMBCADHRJW-HUUCEWRRSA-N 391.472 0.691 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC(=O)N(C)C[C@H]1C 1540903027 WYBOKGCAFKIRCU-KGLIPLIRSA-N 397.501 0.050 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 1542978768 XFLROSFTNMGEIM-QFPXGYFVSA-N 382.420 0.678 30 10 GCEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1)c1cc[nH]n1 1587262247 WPYLSULZJHRJLV-GTNSWQLSSA-N 380.401 0.351 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccn(C)n2)CC1 1588733681 YJYJLILIVMZHOP-UHFFFAOYSA-N 382.472 0.051 30 10 GCEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 1588967823 BLDVFHATYGJFNR-UHFFFAOYSA-N 397.526 0.115 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595467474 VRSLAEMXAWDHQL-OKILXGFUSA-N 392.460 0.060 30 10 GCEE C=C(C)[C@H](CO)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1616197901 GYAIDCCKJCJLSO-KRWDZBQOSA-N 396.513 0.162 30 10 GCEE N#C[C@]12CN(C(=O)NC[C@H]3CCN3C3CCCCC3)C[C@H]1CS(=O)(=O)C2 1636997827 DOWUOCFPUFBNFY-YXJHDRRASA-N 380.514 0.973 30 10 GCEE N#C[C@@]12CN(C(=O)c3cccc(N4C(=O)CCC4=O)c3)C[C@H]1CS(=O)(=O)C2 1639174957 HDKBHOPUMKTPCE-UGSOOPFHSA-N 387.417 0.350 30 10 GCEE C=CC[C@@]1(C(=O)NC[C@@]2(CO)COCCN2)CCCN1C(=O)OC(C)(C)C 1643701556 QQYURAUFSUTUKH-MOPGFXCFSA-N 383.489 0.799 30 10 GCEE C[C@@H]1CN(c2ccnc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2)C[C@@H](C)O1 1646147365 GPTHRPGAABCCOW-CHWSQXEVSA-N 398.423 0.259 30 10 GCEE CNC(=O)Cn1nc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C 1660383751 HDKWEPUTFGJDKH-AWEZNQCLSA-N 383.412 0.889 30 10 GCEE C=CCOCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1O 1682389763 VTKNNYPWAIZQOC-BSDSXHPESA-N 380.485 0.720 30 10 GCEE CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O 1682430040 HXTJAHSDSWRIKO-OXHZDVMGSA-N 392.374 0.070 30 10 GCEE C[C@]1(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)CCC(=O)N1 1686048144 MSHADYNFQIRLND-COJSNBRMSA-N 378.498 0.940 30 10 GCEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1689948647 AJSPGMSMIDRICB-GOSISDBHSA-N 396.513 0.824 30 10 GCEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1C 1690001901 VFMIKCCECDKCQJ-JYJNAYRXSA-N 393.513 0.634 30 10 GCEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1690394756 LGDUJHIUEBRTTB-IBGZPJMESA-N 376.505 0.885 30 10 GCEE C#CCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1OCC 1691332185 LENHAVXUOXITDI-AJYBTWMASA-N 384.480 0.687 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1704214922 GWBISZPRGLURJX-SEBNEYGDSA-N 378.473 0.248 30 10 GCEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1705843833 PBFYSHZUCDWDIG-LBPRGKRZSA-N 377.474 0.388 30 10 GCEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1711269159 DHHAIGGGTKOFKC-OAHLLOKOSA-N 375.396 0.722 30 10 GCEE C=CCNC(=O)CN1CC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2)C1 1732402741 KHNMNISTBQPOBT-XYJFISCASA-N 377.485 0.265 30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccn(CCN(C)C)n1 1736553705 HDZVUPKDYOZNRK-OIISXLGYSA-N 375.473 0.509 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)CC1 1740696083 LPDYNKMPYGKYBE-QGZVFWFLSA-N 398.515 0.689 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cn(C2COC2)nn1 1748852814 MHDFHMTXHINUHP-UHFFFAOYSA-N 388.435 0.548 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN(C)C)CC1 1748991265 VAQUYZYPVABREC-INIZCTEOSA-N 387.532 0.572 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760115800 BQTYOBDKULKFCJ-AYGAQVIVSA-N 384.440 0.766 30 10 GCEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1760197213 XXYJFXMXLLGDQG-UXHICEINSA-N 388.468 0.543 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1760206178 SOHKDJRVDWDXDD-INIZCTEOSA-N 376.482 0.680 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2nc(C)nc2C1 1760356757 WMSCPLPSZQRHFN-AWEZNQCLSA-N 386.460 0.742 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1760528464 CVPKFTNKOQITKJ-CYBMUJFWSA-N 385.490 0.303 30 10 GCEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854107376 PQUDYGCHKYGJBE-CVEARBPZSA-N 390.465 0.593 30 10 GCEE COCC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856099436 XBVFODGGPOWFBV-QGZVFWFLSA-N 384.436 0.132 30 10 GCEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccno2)C1)C1CN(c2nccnc2C#N)C1 1856265852 AXQUZMBKTKGULN-LBPRGKRZSA-N 381.396 0.146 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CCN3CCCC3)C2=O)CC1=O 1856324892 SRYMTUCLISSODV-IRXDYDNUSA-N 376.501 0.566 30 10 GCEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3cnccn3)CCC2=O)CC1=O 1856627002 ZXYIHDBWJACWBB-JKSUJKDBSA-N 385.468 0.708 30 10 GCEE C[C@H](CC(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1ccnc1 1857113549 VOCZLNVOSRFMGK-PBHICJAKSA-N 394.435 0.992 30 10 GCEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCO3)C2)C1 1857477647 ONUDKBXMGZAVLG-RDTXWAMCSA-N 384.436 0.960 30 10 GCEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCOCC1 1870582307 YBHYKZNYJUNPED-UHFFFAOYSA-N 377.441 0.104 30 10 GCEE C#CCN(C(=O)C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1968929270 KVGDFMKECRBEOW-QGZVFWFLSA-N 390.461 0.904 30 10 GCEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)C1 2108325308 HXIASDYCDIIONU-XHDPSFHLSA-N 388.446 0.130 30 10 GCEE CN1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 2118162026 GVUFWMUPIGPZNW-KBPBESRZSA-N 387.506 0.217 30 10 GCEE C#CCN(CC(F)(F)F)C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2127620710 OTWJQKUTQHKQNG-WOPDTQHZSA-N 380.363 0.742 30 10 GCEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)O)C(=O)C1 2180402405 NADDZIWAXXRIBH-OLZOCXBDSA-N 383.445 0.990 30 10 GCEE C[C@H](C#N)N1CCN(C(=O)[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 2181113055 UNFWCSOAOZIJIX-QXSJWSMHSA-N 378.473 0.925 30 10 GCEE C=C1CC(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)(C(=O)O)C1 2182939560 IFJGWYLSKOJCAN-UHFFFAOYSA-N 381.429 0.603 30 10 GCEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2 2231048533 LTGPDZKEWFAQQL-OLZOCXBDSA-N 385.486 0.715 30 10 GCEE CN1C[C@H](C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 2237776396 RDDWKQLORCMTBC-JCGVRSQUSA-N 378.429 0.205 30 10 GCEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(C)OCCO1 2255637135 AFKKULSEDVHCFN-UHFFFAOYSA-N 379.266 0.911 30 10 GCEE Cn1ncc(NS(=O)(=O)N2CCC(C#N)CC2)c1I 2265293262 RSFBIMMBLNQBQZ-UHFFFAOYSA-N 395.226 0.917 30 10 GCEE C#CCNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F 2265335406 UBILQACVTSFQHU-WDEREUQCSA-N 381.351 0.059 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)OC1(C)C 2267165201 BPWDIPIEMLEKFY-VLBDKCSNSA-N 386.219 0.908 30 10 GCEE C[C@@H](CCO)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267709177 XNILAWRTSFXPJL-NSHDSACASA-N 390.336 0.975 30 10 GCEE C=C(CS(=O)(=O)NC1CC(CS(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2267724658 NNSCDBSLXJOQHP-UHFFFAOYSA-N 393.336 0.917 30 10 GCEE Cc1sc(C(=O)NCC2(C(N)=O)CNC2)cc1B1OC(C)(C)C(C)(C)O1 2281950176 SJUPUJCQSDHCGD-UHFFFAOYSA-N 379.291 0.160 30 10 GCEE Cc1cnc(C(=O)N2CC(S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956067 SUHUQVZOUFERPD-UHFFFAOYSA-N 380.275 0.558 30 10 GCEE CC1(C)OB(c2cc(C(=O)NCC(=O)NCC(F)(F)F)ns2)OC1(C)C 2282008932 MLTWUHPSVQEDPE-UHFFFAOYSA-N 393.196 0.851 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@@H]2c2nn[nH]n2)OC1(C)C 2282019349 KLRQCYRJIXJEHV-SNVBAGLBSA-N 376.251 0.933 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)o2)OC1(C)C 2282204414 JKIYLAGIONHBRB-TXEJJXNPSA-N 381.259 0.695 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@]12CC2(F)F 2282293045 DHILWKKWAYDGPX-OQPBUACISA-N 390.221 0.190 30 10 GCEE C[C@@H]1CN(C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303192 STSVBCVPOFSXHB-CYBMUJFWSA-N 381.307 0.705 30 10 GCEE CCCNC(=O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282343866 HYOPIZLHNVHBTH-UHFFFAOYSA-N 383.279 0.185 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](F)C3CNC3)cc2)OC1(C)C 2282345618 QCPXCUWPGUHJET-OAHLLOKOSA-N 384.282 0.822 30 10 GCEE CC1(C)[C@@H](N)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282352598 AZDRMACTCQZPDT-KBPBESRZSA-N 381.307 0.785 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3CN[C@H]2C3)OC1(C)C 2282494112 ZFXQNZSRYBWNHI-SDDRHHMPSA-N 399.347 0.612 30 10 GCEE C=C(CS(=O)(=O)N[C@@]1(CO)C[C@@H](O)C12CCC2)B1OC(C)(C)C(C)(C)O1 2282495332 LAVXIHGTMCBLEJ-CXAGYDPISA-N 387.307 0.759 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@]34CNC[C@H]3C4)cc2)OC1(C)C 2282506218 OYLNGTGZOSVTON-KDOFPFPSSA-N 378.303 0.767 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCCO2)n1 2282511414 MEECVDYDNILLER-LBPRGKRZSA-N 385.295 0.567 30 10 GCEE COC(=O)NCC1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282520562 RHZOKKXYXGTPJB-UHFFFAOYSA-N 381.263 0.870 30 10 GCEE CN1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830254 QZFJOJPXECCXJS-UONOGXRCSA-N 379.291 0.458 30 10 GCEE CC[C@](C)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)OC 2282849581 DGJASHNDKXMWNT-MRXNPFEDSA-N 387.311 0.813 30 10 GCEE C[C@@H]1C[C@@H](CN)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851094 XMHIWZSYZIQOCG-NEPJUHHUSA-N 384.311 0.077 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3COCCN3)c2)OC1(C)C 2282857698 LPWTUQYZCCFGGN-AWEZNQCLSA-N 382.291 0.253 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C2C[C@@H]3C1[C@@H]3C2 2282858231 UCPJPXWZWXHNAP-KUHGFHKHSA-N 379.291 0.652 30 10 GCEE CCN([C@H](C)COC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867604 BHFBOJDJPXAOMH-GFCCVEGCSA-N 387.311 0.765 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CSC[C@@H]2C1 2282868001 HDDNJIUHSMMNMX-RYUDHWBXSA-N 399.347 0.703 30 10 GCEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N[C@@H]2CCNC2)OC1(C)C 2282869782 IHTRAJGEKABJDX-LLVKDONJSA-N 388.245 0.904 30 10 GCEE C[C@H](CCC(=O)O)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2284402109 LQYIWMMCKIWURW-LLVKDONJSA-N 384.263 0.912 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@H]4C[C@]4(CN)C3)c2)OC1(C)C 2288266736 NIFXJFXQYLWEKY-ACJLOTCBSA-N 378.303 0.955 30 10 GCEE CN[C@H](C#Cc1cnn(C)c1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2340575772 WEUGYBWRKUGCOT-RHSMWYFYSA-N 382.486 0.442 30 10 GCEE C[C@@H](C#CC(=O)O)NC(=O)NCc1c(I)cnn1C 2341186797 UZBHHKIQDHETJB-ZETCQYMHSA-N 376.154 0.300 30 10 GCEE CC1(C)OB(c2csc(CO[C@@H]3CCN(S(C)(=O)=O)C3)n2)OC1(C)C 2342980485 HYNMJFXNEFHWFV-LLVKDONJSA-N 388.320 0.993 30 10 GCEE CC1(C)OB(c2cccnc2C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2361653085 GSBAQKHJVPAPPU-YPMHNXCESA-N 378.259 0.250 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC[C@H](CS(N)(=O)=O)C2)n1 2362159089 AWPAARNQRBMRBA-ZDUSSCGKSA-N 381.307 0.804 30 10 GCEE CC1(C)OB(c2ccc(NC[C@H]3CCS(=O)(=O)N3)c(C#N)c2)OC1(C)C 2364746758 BQTLNTHPGSSOOQ-CQSZACIVSA-N 377.275 0.961 30 10 GCEE COc1[nH]c(=N[C@H]2CCS(=O)(=O)[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2365347777 IBLQUDHVGLSJCS-YPMHNXCESA-N 382.291 0.799 30 10 GCEE CC(C)(C)OC(=O)N1CCOC[C@](C(=O)O)(N2CCN(CCC#N)CC2)C1 2378922533 YQCBDTUWARBWFJ-GOSISDBHSA-N 382.461 0.608 30 10 GCEE CCc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 255065146 HZRZLGKDSFPTJS-UHFFFAOYSA-N 394.500 0.831 30 10 GCEE C/N=C(/NCCNS(=O)(=O)c1cccnc1)N1CCC[C@@]2(CCCOC2)C1 262030119 SFWLYDUXCCNAIE-GOSISDBHSA-N 395.529 0.828 30 10 GCEE Cn1cc([C@@H]2[C@@H](C(=O)NCCn3cnc(C#N)n3)CC(=O)N2C(C)(C)C)cn1 376423424 FBODSLQCKICOPT-XJKSGUPXSA-N 384.444 0.388 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 410054288 YTCMTNHDKDHAMX-LBPRGKRZSA-N 379.360 0.922 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCOc1ccc(C#N)cc1 410224001 MLTNDGJWGSZWAS-HOCLYGCPSA-N 380.470 0.954 30 10 GCEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)nn1 425531273 LSMFRIQOQLWFRY-OAHLLOKOSA-N 384.440 0.943 30 10 GCEE CC[C@@H](CC#N)NC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 434992929 XNEWYLPPFHEEJO-ZDUSSCGKSA-N 385.428 1.094 30 10 GCEE COc1cc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1C#N 460607763 HZTRIOKBMJBAOQ-KRWDZBQOSA-N 386.452 0.364 30 10 GCEE CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 517526353 KYKLOMZENOCZMW-UHFFFAOYSA-N 379.420 0.966 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 528553439 UJNTXVTVWDXCGV-ZBFHGGJFSA-N 398.506 0.943 30 10 GCEE Cc1nn(C(F)F)c(C)c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 530270271 CVCCDEGBEHZHDV-UHFFFAOYSA-N 378.339 0.655 30 10 GCEE CC1CCC(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)CC1 530270680 REQMXDGRPUWYBV-OWYJLGKBSA-N 399.451 0.631 30 10 GCEE C[C@@](NCC#CCN[C@](C)(C(N)=O)c1ccccc1)(C(N)=O)c1ccccc1 530358244 JJAZUCWZMWWBDM-VXKWHMMOSA-N 378.476 0.970 30 10 GCEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541798333 COZQTZNUSFXUSX-UHFFFAOYSA-N 398.444 0.928 30 10 GCEE CC(C)[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 565231317 IGZSAAUCGPAHCO-CQSZACIVSA-N 375.472 0.126 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1F 584106222 BPZXIHXYQDUVKY-DOMZBBRYSA-N 385.392 0.657 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@]2(CCCOC2)C1 585762320 VFNRXUUCFZSYEW-FQEVSTJZSA-N 394.435 1.415 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(F)c1 586863504 PNIWUVAAJSWOCI-UHFFFAOYSA-N 392.394 0.929 30 10 GCEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)Cc1ccco1 589981248 OUYOIKSXRUXSJC-UHFFFAOYSA-N 377.401 0.105 30 10 GCEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H](O)[C@@H](CO)C2)C1 592804668 IMJNFQNOUYRHEU-DOMZBBRYSA-N 380.242 0.569 30 10 GCEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 592880151 OLBRZINWHUKLGB-ZDUSSCGKSA-N 381.440 0.518 30 10 GCEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ncns3)CC2)CC1 595514597 AVRJBGGRZYQZQF-OAHLLOKOSA-N 377.518 0.352 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)NC[C@]3(OCCO)CCOC3)CC2)nc1 596257341 HMHWRSKAZFNAKI-LJQANCHMSA-N 389.456 0.389 30 10 GCEE C[C@@]12CNC[C@]1(C)CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 599900941 YAOWIZYUUQDAMP-BGYRXZFFSA-N 393.451 0.595 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 602923898 KYVSHLABKIQHMR-XUVXKRRUSA-N 386.496 0.803 30 10 GCEE CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 615454863 DJPKROYTNVVIEU-GOSISDBHSA-N 393.513 0.510 30 10 GCEE C=CCOCCCNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 669299518 IOHUFDTXIBSPRC-UHFFFAOYSA-N 395.481 0.552 30 10 GCEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 729334483 QFFSGMILGLAAFY-RYUDHWBXSA-N 390.508 0.064 30 10 GCEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCC 729669821 BVEOGPCMYNOCFT-UHFFFAOYSA-N 393.472 0.773 30 10 GCEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cn1 732797348 OXJOGTYJJHIQOS-UHFFFAOYSA-N 399.476 0.045 30 10 GCEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)COc3ccccc32)CCC1 771070467 DOUMJQCGVUKYIE-UHFFFAOYSA-N 377.422 0.942 30 10 GCEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 771514744 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CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)N2CC(C#N)C2)C1 2054406292 UANAKUFWWOAWCO-WGRBQBNCSA-N 376.454 0.919 30 10 GCEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 2108329443 FKALEMAGFRDCOF-RDJZCZTQSA-N 378.454 0.396 30 10 GCEE C#CCO[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 2180038125 WHVGMUXAKBOSOM-LSDHHAIUSA-N 379.457 0.705 30 10 GCEE Cc1cc(C#N)c[nH]c1=NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197510604 WOMFVSUPMBKAKU-ZDUSSCGKSA-N 394.453 0.560 30 10 GCEE C=C[C@]1(CO)COCCN1C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2199851578 JKVDBGHZJVQGFU-MDASCCDHSA-N 382.457 0.788 30 10 GCEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC#CCCN 2210514106 OSHOWHXHDKCFEU-UHFFFAOYSA-N 377.466 0.580 30 10 GCEE C=CC[C@@H](NC(=O)NCCn1cnc(I)c1)C(=O)O 2228803580 XGBDNCCTENRBRZ-MRVPVSSYSA-N 378.170 0.816 30 10 GCEE CN1CCN(C2CN(Cc3nscc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2235500245 JLZJWAPYFURWMG-UHFFFAOYSA-N 378.351 0.874 30 10 GCEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 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0.906 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCNC2=O)OC1(C)C 2267729555 MWNHDGWVSDMEJR-LLVKDONJSA-N 386.304 0.355 30 10 GCEE CC1(C)OB(c2cc[nH]c(=NCCCNS(=O)(=O)C3CC3)c2)OC1(C)C 2280757891 YTTCLKXSYJYTFB-UHFFFAOYSA-N 381.307 0.687 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3C(=O)COC[C@H]3C2)C1 2281279314 JBFLJAKCYHSJLV-SHYRYGCCSA-N 377.441 0.363 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H]3COC[C@@H]3S(C)(=O)=O)co2)OC1(C)C 2281799925 BTKPFCVDPXXNPV-RYUDHWBXSA-N 385.247 0.121 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CC4(C3)OCCC[C@@H]4O)ns2)OC1(C)C 2282007878 FVLUQKWCUZFQLC-LBPRGKRZSA-N 380.275 0.808 30 10 GCEE CC1(C)OB(c2c[nH]c(C(=O)NC3CC4(C3)CS(=O)(=O)C4)c2)OC1(C)C 2282195036 ICQPXDNSLKRGJQ-UHFFFAOYSA-N 380.275 0.621 30 10 GCEE CN(CC1CC=CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282314785 FHCOWDZMWFHNBS-UHFFFAOYSA-N 382.295 0.701 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1OCC[C@@H]1F 2282329541 NXLDYICFPXHKFZ-WDEREUQCSA-N 389.258 0.125 30 10 GCEE 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CC1(C)OB(c2cncc(S(=O)(=O)NCCc3cn[nH]c3)c2)OC1(C)C 2282861531 PDXMZYDMWQYQTG-UHFFFAOYSA-N 378.263 0.625 30 10 GCEE CCC1(CC)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868957 VMHJMTJCWXOZRO-UHFFFAOYSA-N 384.311 0.925 30 10 GCEE Cc1nc(S(=O)(=O)N(C)[C@@H](C)CCN)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873402 KYXRRNDPJOZKDC-NSHDSACASA-N 386.327 0.386 30 10 GCEE Cn1nc(C(=O)N=[S@](C)(=O)CCC(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284391273 ISANDCPBSFWLHT-AREMUKBSSA-N 385.251 0.432 30 10 GCEE CC1(C)OB(c2cncnc2C(=O)N2CCSC[C@@H]2C(=O)O)OC1(C)C 2284419167 JJAARMYHGBWKBI-LLVKDONJSA-N 379.247 0.418 30 10 GCEE C#CC[C@@H]1COCCN1C(=O)[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2358188906 HMZZMLZITFWZSK-KLHDSHLOSA-N 382.457 0.886 30 10 GCEE C=CCN1CCN(C(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1=O 2358725401 PJPASTNVIBKRKK-AEGPPILISA-N 379.457 0.816 30 10 GCEE C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2360953899 BPXXLGDCLCQZDM-GVRJEKJASA-N 382.457 0.928 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CC[C@H](C(CO)CO)C2)OC1(C)C 2362569265 VROAVQUCOMSJAK-NSHDSACASA-N 382.291 0.505 30 10 GCEE Cc1nnc(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n1C 2362569916 RIOFGVMWLTURDA-UHFFFAOYSA-N 377.279 0.852 30 10 GCEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)OC1(C)C 2364847643 WGZQLJAZISWNTD-JXJLXUTGSA-N 384.669 0.549 30 10 GCEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367790396 UWTWIMRHJSNZCV-HZPDHXFCSA-N 397.541 0.978 30 10 GCEE C#CCOCCCCCNC(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2370337954 GKOSGQLXEQGQBG-HRCADAONSA-N 384.473 0.654 30 10 GCEE C#CCN(C)CCNC1(C(=O)O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 2377981684 XYNRPLXDLVXLEY-RTHVDDQRSA-N 381.473 0.763 30 10 GCEE C#CCN(CC(=O)N(C)CCOc1ccccc1F)[C@H]1CCS(=O)(=O)C1 66539211 RNSIQBKCZZBSHD-HNNXBMFYSA-N 382.457 0.785 30 10 GCEE CC(=O)c1ccc(C#CCNS(=O)(=O)CCN2C(=O)CCCC2=O)cc1 96351967 CGQLRHSRDVLICR-UHFFFAOYSA-N 376.434 0.699 30 10 GCEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 153027599 WAEUSGATUQVCQW-JTQLQIEISA-N 395.876 0.943 30 10 GCEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@@H](CC)CO)CC1 267463111 QZWCDKDKCYKEOI-HNNXBMFYSA-N 377.416 0.691 30 10 GCEE CC[C@@H](CO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 269468695 ISVPITPFRJEWEH-INIZCTEOSA-N 394.497 0.407 30 10 GCEE COc1ccc(N2CCN(CCNS(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 282878471 CKRSGGHYNNMNOA-MRXNPFEDSA-N 395.529 0.886 30 10 GCEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 284864631 ARDDIHDWOUNTDA-GOEBONIOSA-N 380.466 0.674 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCOCC2(CC2)C1 349610034 QCEMWFAXCVLTRT-AWEZNQCLSA-N 393.531 0.382 30 10 GCEE CN(C)S(=O)(=O)CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 376183093 VHUKQAUPORZROM-UHFFFAOYSA-N 378.498 0.942 30 10 GCEE Cn1cc(N2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cn1 377728528 XESIQPCIWHNMQJ-MRXNPFEDSA-N 380.456 0.797 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 425904107 ZNISHXMEZHFUNX-NOLJZWGESA-N 395.481 0.561 30 10 GCEE 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381.178 0.242 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)NCCCc2nncs2)OC1(C)C 2283068580 KIPUZZQTYCCWAN-UHFFFAOYSA-N 375.263 0.990 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3CC(=O)NC[C@@H]3C(=O)O)s2)OC1(C)C 2284342638 YNWAJKVQTPTNAH-SECBINFHSA-N 380.231 0.073 30 10 GCEE C[C@H](C=CC(=O)O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2284406324 XARCPMDBDFZPBX-SNVBAGLBSA-N 385.251 0.027 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CCO[C@@H](CC(=O)O)C2)OC1(C)C 2284447998 UIPHVMQRAAMPGG-JTQLQIEISA-N 382.247 0.758 30 10 GCEE CCc1nc(C(=O)N[C@H](C(=O)O)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284461440 QRQUZTBXAONSFF-WPRPVWTQSA-N 384.263 0.569 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)C#C[C@@H]1[C@@H]2COC[C@@H]21 2342452100 FRTCFOPJORCZHX-HNKHHVNMSA-N 383.466 0.876 30 10 GCEE CO[C@@H]1CCS(=O)(=O)N(Cc2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2342959021 BKPPYZGMVSRCKS-LLVKDONJSA-N 388.320 0.993 30 10 GCEE C#CCN1CCN(C(=O)[C@H]2[C@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 2358187931 SJOQFJBWEWSDDX-BZUAXINKSA-N 381.473 0.413 30 10 GCEE COC(=O)[C@H](CC(=O)O)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362509117 QMYODRFFWHGDHK-VIFPVBQESA-N 384.219 0.188 30 10 GCEE CN1CCO[C@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2362570332 WVSIYNIZDFWXMV-OLZOCXBDSA-N 379.291 0.597 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H]([C@@H](N)C#Cc2ccn(C3CC3)n2)C1 2365949832 SSMWXHDDYNUFKI-JKSUJKDBSA-N 394.497 0.931 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](O)[C@H](N)C#Cc2cnn(C3CC3)c2)C1 2366121115 JYXRHWYRYYXPMP-ZACQAIPSSA-N 376.457 0.894 30 10 GCEE C#CCNC(=O)CN[C@]1(C(=O)O)CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2371431926 YIAIRFGEUXPBHY-CKFHNAJUSA-N 379.457 0.958 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 2376720767 FFBISXWDLJWZNB-CKFHNAJUSA-N 379.457 0.958 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 30327815 NYYKEHCUQKRZFS-UHFFFAOYSA-N 387.889 0.957 30 10 GCEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 46232215 OVSMJZWNMKVSLP-HNNXBMFYSA-N 384.436 0.619 30 10 GCEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@]1(O)CC[C@]2(O)C(=O)CO 65742994 USJJKJYVBSEDNP-CNPAUTQISA-N 376.449 0.673 30 10 GCEE in-vitro C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 105265797 ZASIQKOMOZAVIX-HXUWFJFHSA-N 398.507 0.969 30 10 GCEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)ccc1F 128473947 OYUQDCLUWXNCHD-UHFFFAOYSA-N 387.400 0.646 30 10 GCEE Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCOC[C@@H]1C#N 176648708 LCCYUEKOMVWGIU-ZDUSSCGKSA-N 380.360 0.945 30 10 GCEE C/N=C(/NCCS(=O)(=O)c1ccccc1)N1CCC[C@]2(CNC(=O)C2)C1 261853761 YJOSQDGQSQKWQN-SFHVURJKSA-N 378.498 0.638 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)C1=O 281619086 FQCVJLSSXCDJPP-GXTWGEPZSA-N 383.445 0.738 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 288445044 FMRQARCQTCXLGQ-FQEVSTJZSA-N 387.436 0.949 30 10 GCEE CCO[C@@H]1C[C@H](/N=C(/O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)[C@@]12CCCO2 329822327 ATRGLQHFOHRQKL-QKDZRIPBSA-N 376.475 0.718 30 10 GCEE Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)N[C@@H]2CCCn3ncnc32)no1 329893823 AZKQHXKTQGICLK-RWMBFGLXSA-N 378.412 0.921 30 10 GCEE CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 369218144 GDHNYZSQGVBOKX-GUYCJALGSA-N 399.451 0.797 30 10 GCEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 416529530 CHZWUHBLWZJNNK-ZDUSSCGKSA-N 375.244 0.829 30 10 GCEE Cc1c(NC(=O)C(=O)N2CC(CC(N)=O)C2)ccc(Br)c1C#N 425766521 DSDNYTJBENIMFE-UHFFFAOYSA-N 379.214 0.902 30 10 GCEE C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1C 440951890 DUMKCRHLHLAGPY-WMLDXEAASA-N 395.467 1.078 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 453775957 NGYLWTRKUYQNTH-UKRRQHHQSA-N 378.454 0.639 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCc3ccccn3)CC2)n1 501712957 HQAJVTAFEVIEAE-UHFFFAOYSA-N 378.436 0.746 30 10 GCEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 520364655 SNJQDKKJWIMUFT-ZDUSSCGKSA-N 384.845 0.227 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2csc(N3CCCC3)n2)C1=O 522300964 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Cn1nnc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 592289808 RNXZRHRLIBUUCP-UHFFFAOYSA-N 390.407 0.522 30 10 GCEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](O)C[C@@H](O)C2)C1 592770465 VLSKACUANMNQEZ-OKILXGFUSA-N 380.242 0.711 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 593548129 MCDRZNRLKPRVIP-ZDUSSCGKSA-N 381.454 0.591 30 10 GCEE C[C@@H]1CNCC[C@H]1NC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593783190 XRRRRUKCSMAMGI-DNVCBOLYSA-N 383.496 0.753 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 595130213 ULZOTKGFIVEAMF-OAHLLOKOSA-N 378.379 0.747 30 10 GCEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 595145675 BJGZTHVDKNUXSH-UHFFFAOYSA-N 397.451 0.678 30 10 GCEE COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599005016 XILMXJFOWQGHCZ-HNNXBMFYSA-N 397.391 0.919 30 10 GCEE CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)c1cccc(CC#N)c1 599387414 LKTUELJWIBALAX-GOSISDBHSA-N 379.482 0.647 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)COc2c(F)cccc2F)C1=O 618172886 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CS(=O)(=O)N1CC[C@H](CON=C(N)c2ccc(CN3CCOCC3)cc2)C1 853658151 NEOLTEMXFRFARX-INIZCTEOSA-N 396.513 0.437 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1[C@H]1CCCN1C)c1cc[nH]n1 854643714 WNPGAYHXJKHDKT-CABCVRRESA-N 393.444 0.015 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861629077 KLNUEFHEBLVMJQ-SIXLDLHFSA-N 378.473 0.934 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 863432965 PFAUWTQRWLVJQS-UHFFFAOYSA-N 380.408 0.006 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)cc1 887798309 ZIZRNJWEOGTKAB-NVXWUHKLSA-N 392.477 0.866 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3cccnc32)CC1 896719137 FCFGFYVEEVVTHM-HNNXBMFYSA-N 377.470 0.254 30 10 GCEE CC1(C)OB(C2CCN(C(=O)c3cnn(C[C@H](O)CO)c3)CC2)OC1(C)C 914049359 XDPNAZNZSCHTJB-HNNXBMFYSA-N 379.266 0.935 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)cc1F 917926181 XMGDBQMCHJSPEB-CYBMUJFWSA-N 388.442 0.595 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)CC1 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389.419 0.795 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 273479423 ZKBGPXLLCDYFFI-GFCCVEGCSA-N 397.453 0.128 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)C1=O 277757204 CNIHMJYQGMGOKB-ONGXEEELSA-N 377.319 0.125 30 10 GCEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C(C)(C)C 288802482 ITRQYJQRUIJJIK-OAHLLOKOSA-N 381.502 0.920 30 10 GCEE C[C@@H]1OCC[C@@H]1/N=C(/O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 328912619 HKBNUHVDKNEEGK-ZFWWWQNUSA-N 378.454 0.956 30 10 GCEE CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349480859 LPXRLHHRPKMCHE-AWEZNQCLSA-N 399.494 0.555 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCN1C1CC1 372488450 AZWGZJRNRBXULK-ZDUSSCGKSA-N 385.399 0.848 30 10 GCEE Cc1nc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)n1C 376275197 RGNNCAVROCEVIB-LLVKDONJSA-N 388.291 0.852 30 10 GCEE C=CCc1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)cc(OC)c1OC 420551505 RIADJMJLCRJWNY-CQSZACIVSA-N 376.409 0.982 30 10 GCEE 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N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@H](O)C12CCC2 595962781 UIVCHBZFHFSRCD-UONOGXRCSA-N 385.467 0.070 30 10 GCEE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 599664633 DVPDMXZSKCTRCR-ZDUSSCGKSA-N 386.861 0.400 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4CN3)CC2)nc1 600799792 YNWZKDWEMHXSCB-WNRNVDISSA-N 394.479 0.058 30 10 GCEE COC(=O)CN(CC#N)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 609991416 BTBNKTZCVFTPSU-UHFFFAOYSA-N 382.424 0.702 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 666991614 GFDIJJPQRYSIGI-OAHLLOKOSA-N 379.505 0.263 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 669331245 CXAKVKIGTQNRQZ-AWEZNQCLSA-N 399.503 0.439 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(COC)n2Cc2ccccc2)CC1 670129518 SWGOWMKLIKIXAO-UHFFFAOYSA-N 384.484 0.897 30 10 GCEE C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 679532068 FDVABWXCBVKRTJ-UHFFFAOYSA-N 388.468 0.722 30 10 GCEE C#CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)[C@H]1CCS(=O)(=O)C1 729332347 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381.436 0.824 30 10 GCEE CC(=O)N(CCc1ccccc1)CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 761718002 HJURMFDRZJMIPY-FMQUCBEESA-N 384.436 0.720 30 10 GCEE COC(=O)[C@@H](Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 762546188 HXTVNHDXKFQYIE-SFHVURJKSA-N 383.408 0.940 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@@H]1CCO 769003274 DILWYSKAGZFAOC-LBPRGKRZSA-N 383.495 0.442 30 10 GCEE C#CCN(C(=O)N[C@H]1CCN(c2ncccc2F)C1)[C@H]1CCS(=O)(=O)C1 774251178 NVCZXMFACPQVQZ-KBPBESRZSA-N 380.445 0.631 30 10 GCEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)NCCC#N)c2C1 782420036 OGPHMHXKHQRFIA-UHFFFAOYSA-N 377.401 0.890 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1C)[C@H]1CCS(=O)(=O)C1 783479659 FXRGOMICAGVCBD-AWEZNQCLSA-N 392.433 0.369 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CC#C)[C@@H]1CCS(=O)(=O)C1 783482679 ZWQGVVQLMJPITL-CQSZACIVSA-N 392.408 0.425 30 10 GCEE Cc1ccncc1N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 798409701 ZSUFRSGHCMDPPK-ZCXUNETKSA-N 384.440 0.748 30 10 GCEE CC(C)CN(C(=O)COC(=O)c1cccc(C#N)n1)[C@H]1CCS(=O)(=O)C1 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C=C(C)CN(C)c1nnc(Cn2cc(CCCO)nn2)n1C[C@@H]1CCOC1 1345293463 MLOAMLXOHSTDGP-HNNXBMFYSA-N 375.477 0.892 30 10 GCEE C=C(C)Cn1c([C@@H]2SCCNC2=O)nnc1N1CCN(C2CC2)C(=O)C1 1346603592 KHUCEBAIOJKVSU-AWEZNQCLSA-N 376.486 0.569 30 10 GCEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2nccnc2c1 1347634110 XRKJGYMSXWPPHH-CRNXPOROSA-N 379.420 0.925 30 10 GCEE C#CCN(C[C@H](O)CN1CCCC1)C1CCN(C[C@H](O)CN2CCCC2)CC1 1349699423 CFAYDZLHXVVYHT-FGZHOGPDSA-N 392.588 0.299 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 1350875251 WFNGOCQHDFEGGY-CQSZACIVSA-N 384.440 0.484 30 10 GCEE C#C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1354419745 RIWKZLBWWPWKLS-HNNXBMFYSA-N 377.466 0.567 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1358890983 XYLMVKYUHUKVFK-ZIAGYGMSSA-N 395.529 0.800 30 10 GCEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCN1CCCS1(=O)=O 1358995201 IXZSSNZANONIRJ-UHFFFAOYSA-N 377.514 0.975 30 10 GCEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(C)c2)CC1 1359030614 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398.533 0.375 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)OCC 1539238916 DXDNSGMIYLYOTK-CQSZACIVSA-N 381.502 0.776 30 10 GCEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)CC1 1541993123 GIXZCXSKQPMWOD-CYBMUJFWSA-N 379.486 0.835 30 10 GCEE COCCN(C)CCN1C[C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)CC1=O 1556884872 MMWACBHULWEFJA-AWEZNQCLSA-N 383.452 0.948 30 10 GCEE N#CCc1ccsc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1558672016 UDLCXENOLHRQSQ-BWBHSNQOSA-N 381.479 0.755 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1583931147 WFJXFPDZZLKODN-LSDHHAIUSA-N 394.472 0.921 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cccnc2)s1 1586410902 YIFRAFLELPKLFV-CQSZACIVSA-N 381.479 1.000 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](C)C1 1595789470 TTZXFUSOBJOIBA-IHRRRGAJSA-N 381.502 0.922 30 10 GCEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc2c(c1)CCC(=O)N2 1626840969 FXCNFPSBAVIDSH-LLVKDONJSA-N 381.392 0.973 30 10 GCEE 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C=CCCC1(C(=O)N2CC[C@](O)(CO)[C@@H](O)C2)CN(C(=O)OC(C)(C)C)C1 2281038516 UHHKHIMXRFZBJX-LIRRHRJNSA-N 384.473 0.506 30 10 GCEE CC1(C)OB(c2ccc(Cl)c(C(=O)NC[C@@H]3CNC[C@@H]3O)c2)OC1(C)C 2281832856 TUZDYTCXVVETFI-NHYWBVRUSA-N 380.681 0.949 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CN)[nH]n2C)s1 2281938292 MFMIJHNTTQOYRG-UHFFFAOYSA-N 377.279 0.617 30 10 GCEE COCC1(CNC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CNC1 2281970812 HEMPEPDTFBUMLK-UHFFFAOYSA-N 381.307 0.717 30 10 GCEE C[C@@H]1CNC[C@@H](CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)O1 2281993531 CKHONQHJQBICFM-VXGBXAGGSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)ns2)OC1(C)C 2282061898 QQTSNSKZNBGYBY-KRWDZBQOSA-N 377.275 0.795 30 10 GCEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282201727 VHEFRKURFDGQRY-MBNYWOFBSA-N 383.275 0.240 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CC[C@H]2C1=O 2282340461 GHDFKMFHWHDWTJ-WDEREUQCSA-N 381.263 0.276 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@H]4CNC[C@@H]4C3)c2)OC1(C)C 2282340918 LJGCSWOKMIDWJP-ZIAGYGMSSA-N 378.303 0.826 30 10 GCEE C=CCN(CCOC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282343151 CMYWXJZVQHZRLI-UHFFFAOYSA-N 385.295 0.542 30 10 GCEE C[C@H](O)CNCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282344359 KIVVGEYIGZAIKI-ZDUSSCGKSA-N 384.307 0.235 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@](C)(O)C1CC1 2282352459 OUCWFPWKGPPIES-INIZCTEOSA-N 385.295 0.159 30 10 GCEE COC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282417385 BUADLZXUKMKUET-LBPRGKRZSA-N 383.275 0.967 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCOC2CC2)n1 2282501727 AXWOXOMOTGYOOX-UHFFFAOYSA-N 385.295 0.567 30 10 GCEE Cc1nc(S(=O)(=O)N2CCN[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282503127 VGQMTOIGYQOFOK-NSHDSACASA-N 384.311 0.010 30 10 GCEE Cn1nc(C(=O)NC2CC(F)(CN)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282547530 QODHUWXOMHNZFU-UHFFFAOYSA-N 386.664 0.932 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CO[C@@H]2COC[C@@H]12 2282584889 XHZLURCLJSVHLM-QJPTWQEYSA-N 380.275 0.894 30 10 GCEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCNC1 2282609965 PEPXQHPZUWNSQZ-APPDUMDISA-N 381.307 0.533 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[S@](=O)C(C)(C)C1 2282650527 NUCAQSTVGXMGAK-SANMLTNESA-N 382.295 0.097 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CSCCO2)n1 2282654536 KJNFWPPKNNKHNA-MRXNPFEDSA-N 382.295 0.366 30 10 GCEE C[C@@H]1[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C 2282856845 ZCIVQSCTEBPJOB-NEPJUHHUSA-N 384.311 0.090 30 10 GCEE CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282865568 WBSWPEYGUDOVOP-CQSZACIVSA-N 380.275 0.495 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@]34CNC[C@H]3C4)ccc2F)OC1(C)C 2282881844 DCIVWADXJXUCDI-DIFFPNOSSA-N 382.266 0.765 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3[C@H](C(=O)O)[C@@H]3C2)OC1(C)C 2284399413 KDKHBFFNJZBOEN-DDFAGTSDSA-N 399.299 0.998 30 10 GCEE 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C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)C1=O 264509235 NMCWHMSUGSNAKI-LBPRGKRZSA-N 389.408 0.728 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)C1=O 284302547 YBVCRDFEDLHVSQ-ZDUSSCGKSA-N 382.461 0.263 30 10 GCEE Cc1nc2c(s1)[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)CCC2 349546468 DGHFLCRGOMUQRR-GFCCVEGCSA-N 392.528 0.581 30 10 GCEE C=CCN1C(=O)c2ccc(-c3nc(-c4cn(C)c(=O)n(C)c4=O)no3)cc2C1=O 350859722 IWMDKSAWWMJLKR-UHFFFAOYSA-N 393.359 0.583 30 10 GCEE Cn1c(N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(C#N)c(=O)n(C)c1=O 367936718 YVFRYARVKIGOMQ-QWHCGFSZSA-N 395.419 0.096 30 10 GCEE C#CCCCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 376657579 LXZPBHAXNJZTKS-CVEARBPZSA-N 383.448 0.942 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3NCC[C@H]3C2)CCN1Cc1ccccc1 423345068 XKXAGLZKHHNOGU-OTWHNJEPSA-N 381.480 0.433 30 10 GCEE COC[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 449111892 ARYQSGVBOQKUGB-GOSISDBHSA-N 393.465 0.444 30 10 GCEE 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C#CCN1CCC(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 913903272 ZUKBLHWDYYNOOR-UHFFFAOYSA-N 375.473 0.638 30 10 GCEE CN1CCO[C@H](CS(=O)(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)C1 919627876 PBAMSRPLMQKKIN-MSOLQXFVSA-N 378.498 0.729 30 10 GCEE N#Cc1ccc(CN2CC(S(=O)(=O)N3CCNCC3)C2)c(C(F)(F)F)c1 923436714 JYVSDWDYDBRZMZ-UHFFFAOYSA-N 388.415 0.996 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1OC 941975608 QFZRPZQGEHELNT-LHHMISFZSA-N 376.457 0.286 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 1116566931 IACAGQZGWQXEEV-TZMCWYRMSA-N 381.454 0.256 30 10 GCEE N#Cc1ccc(N2CCC(NC(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)nc1 1118815914 OMIAWCMHZLEEKV-OAHLLOKOSA-N 381.440 0.980 30 10 GCEE C=CCn1c(Cc2nccn2C)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1121715386 ZFNFXQOGUHZURH-DYVFJYSZSA-N 376.486 0.659 30 10 GCEE CCn1cnnc1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1136708340 WGKBBGDSKQQTAK-HNNXBMFYSA-N 395.423 0.734 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 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C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 460552956 BHOMCTILEJLTOX-ZDUSSCGKSA-N 384.506 0.523 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(N)=O)CC1 492421466 XEUAZSJCFACMQF-UHFFFAOYSA-N 376.482 0.324 30 10 GCEE C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 506873139 ODIJEGWQENLGBA-OAHLLOKOSA-N 378.436 0.744 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 509939332 RKKJYWUXLRMQCX-ZDUSSCGKSA-N 387.483 0.044 30 10 GCEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)o1 514645056 JARFWOKEDUUOMM-HNNXBMFYSA-N 399.472 0.772 30 10 GCEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)NC)C1 528329622 JTSIRWBSBYCXQX-MRXNPFEDSA-N 385.472 0.974 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)c(F)c1 539935027 MGFWOUKAZFLWCF-UHFFFAOYSA-N 389.412 0.702 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)C2CCC2)c1 570409992 MTWMBKYTYOCJOY-LBPRGKRZSA-N 387.483 0.412 30 10 GCEE CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 573505950 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30 10 GCEE CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1 855304315 DPOJOXRDSNLZLS-GOSISDBHSA-N 391.497 0.043 30 10 GCEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 855305634 OOSVPKOHSXSBOB-PBHICJAKSA-N 377.470 0.381 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 859426717 LFKCTLFLFXQRFC-APPDUMDISA-N 395.437 0.066 30 10 GCEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)O 863419802 DGBKEZSCRXUTGE-GFCCVEGCSA-N 396.874 0.811 30 10 GCEE N#C[C@]1(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)CCCOC1 868944802 OOBUYDAMTCAJJF-LJQANCHMSA-N 391.493 0.854 30 10 GCEE COCCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCO1 871156205 SFLFODDFIPZKBN-DLBZAZTESA-N 390.488 0.797 30 10 GCEE C#CC1(F)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1 891170785 NBCCBJMTTYFTKZ-UHFFFAOYSA-N 379.413 0.497 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CCC(F)(F)C2)CC1 898491182 RVOZJSQIRUKRPC-ZDUSSCGKSA-N 378.445 0.607 30 10 GCEE 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396.465 0.789 30 10 GCEE CCOC(=O)CON=C(C(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1)c1cc[nH]n1 794303117 NDSOXYHLBYDFOQ-UGSOOPFHSA-N 394.428 0.490 30 10 GCEE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)s1 796675093 VMSAFIFVGPCJGS-UHFFFAOYSA-N 378.435 0.812 30 10 GCEE C#CCN(C(=O)C(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCS(=O)(=O)C1 807001933 GNRCWQFVYINEQZ-LLVKDONJSA-N 393.446 0.991 30 10 GCEE C#CCN(C(=O)Nc1cccc2c1CCN(C)C2=O)[C@@H]1CCS(=O)(=O)C1 825315613 KFSVGXBMOINOJK-CYBMUJFWSA-N 375.450 0.969 30 10 GCEE N#CCc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 843625507 VRUWUUHWNXDFMO-HNNXBMFYSA-N 388.449 0.534 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 846287383 XREGQNKZKWMROR-YLJYHZDGSA-N 387.436 0.458 30 10 GCEE C#CCN(CC#N)C(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 847176739 FQBRDDAEZQYXDI-ZDUSSCGKSA-N 381.454 0.253 30 10 GCEE C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 850711541 FHLUNJWWBHLVBY-MRXNPFEDSA-N 377.441 0.907 30 10 GCEE 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CC1(C)OB(c2scnc2CS(=O)(=O)N2CC=C[C@H]2CO)OC1(C)C 2267469748 ZOCKMMZVBZBAKC-NSHDSACASA-N 386.304 0.505 30 10 GCEE CON([C@@H]1CCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267718955 ALKNBCZWFWIHSI-LLVKDONJSA-N 388.320 0.961 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)C1 2281275767 QRQGWSQBWFYZNU-TXKKKEFDSA-N 399.513 0.963 30 10 GCEE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281795811 HQHVVNCQTIEPSO-SMDDNHRTSA-N 380.275 0.544 30 10 GCEE CCS(=O)(=O)CCN(C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281810697 SRANXMSANTZUJV-UHFFFAOYSA-N 382.291 0.888 30 10 GCEE CC1(C)CN[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2282004760 IULKJWONILAEGG-NSHDSACASA-N 381.307 0.939 30 10 GCEE Cc1nc(C(=O)NC[C@H]2CO[C@@H](CN)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282028252 BFTBVNDDWJOXAP-NWDGAFQWSA-N 381.307 0.844 30 10 GCEE Cn1nc(C(=O)N2CCOC[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041728 ANFXUHWPCLTKDS-JTQLQIEISA-N 385.657 0.206 30 10 GCEE 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IJIQFUVOQAKVQV-OAHLLOKOSA-N 380.456 0.896 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1507617498 UVHDIHRCEFJGQY-UONOGXRCSA-N 381.502 0.554 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCOC2)CC1 1507732538 WJFSDGMVNBAMGL-VQIMIIECSA-N 375.473 0.426 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(COC)CCCCC2)C1 1512979424 JTSCNCOEFXDOND-VQHPVUNQSA-N 380.485 0.862 30 10 GCEE C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CCCN(CC)C(=O)C1 1524119298 DOQNKTRYOJKPQE-UHFFFAOYSA-N 376.505 0.870 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1539177996 DBYNGNXALOZWLK-SUMWQHHRSA-N 378.454 0.750 30 10 GCEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1540012964 GAAYVICIQGATCM-AWEZNQCLSA-N 376.461 0.318 30 10 GCEE C#CCNC(=O)CC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3CC)CCC[C@@H]12 1574109466 WBYSDFFAXJGELC-KYFSNAEOSA-N 389.496 0.828 30 10 GCEE CN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1c1cccc(F)c1 1585295164 CJKHXENKWPQWCS-GOEBONIOSA-N 399.382 0.295 30 10 GCEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1585953208 LSHWFOBFJMYIGM-SNVBAGLBSA-N 376.431 0.676 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NOC)CC2)c1 1622523265 GWTVBTAMHRPSGV-UHFFFAOYSA-N 381.454 0.681 30 10 GCEE C#CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OC 1626187558 BIHWCSBGMGUELF-LLVKDONJSA-N 384.410 0.370 30 10 GCEE C#CCN(CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)C(=O)OC(C)(C)C 1626392454 BEKFTODVHDMROX-QWHCGFSZSA-N 383.445 0.429 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)C1=O 1634656037 UEDPAWLIXNSSDQ-SNVBAGLBSA-N 385.380 0.726 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C3(O)CCOCC3)CC2)c1 1638731167 OMBFCKNXNYCYSP-UHFFFAOYSA-N 392.477 0.650 30 10 GCEE C#CC1(O)CN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1640070323 QZQXEFXBWBHMAW-UHFFFAOYSA-N 390.383 0.970 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)[C@H](C(N)=O)CC[C@H]2C)cc1 1640153695 ATLUIYZGNSMAKG-DVOMOZLQSA-N 377.466 0.713 30 10 GCEE COC(=O)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CCCCC1 1648480240 QZNTUTSTJUYNIC-AWEZNQCLSA-N 376.413 0.696 30 10 GCEE C=CCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)nn1 1655733022 RLQCXGCMIKHAEN-UHFFFAOYSA-N 390.874 1.000 30 10 GCEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1665175616 WBAUUMZLNNGYCE-APPDUMDISA-N 397.453 0.355 30 10 GCEE COc1nn(C)cc1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1671495893 YXYYEFYUPCLWQN-WCQYABFASA-N 378.433 0.987 30 10 GCEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1676568266 FWOKRVVFGJYARS-ZIAGYGMSSA-N 392.456 0.250 30 10 GCEE CN(C)CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccnc1 1687675819 CHSQXLIRPKCIDC-INIZCTEOSA-N 397.439 0.475 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1689945491 FGYAJARGHAYYDQ-GFCCVEGCSA-N 384.506 0.120 30 10 GCEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1689988826 WVBFKPNIPGBTEK-LUNKNMTDSA-N 391.497 0.822 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCOC1 1690722823 WSSQDTADNZUECX-AWEZNQCLSA-N 394.501 0.752 30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1702994094 QUGUJTKCYDJRLD-AMVBZWJASA-N 392.374 0.783 30 10 GCEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)C1 1705736292 PZAXKEOTWHIIGO-UHFFFAOYSA-N 388.428 0.535 30 10 GCEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1705905371 SRHPGHAQTYMQSA-FQEVSTJZSA-N 398.467 0.562 30 10 GCEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOCC2)CCO1 1712885089 YTFVMQCFDOWKNZ-DLBZAZTESA-N 390.488 0.623 30 10 GCEE C=CCOCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1719135148 CKUMWKOMKYEGGX-KCYZZUKISA-N 376.457 0.194 30 10 GCEE C=CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1719936794 MSBFJWLUPWSKTR-UPJWGTAASA-N 376.413 0.011 30 10 GCEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1722274578 SHOOHAHQNMGJCM-DLBZAZTESA-N 388.516 0.819 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(CC)c2)CC1 1722438388 QEDKAJGPFVRBFD-UHFFFAOYSA-N 379.472 0.699 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1scnc1Cl 1736550197 LPGYFQDHMFAFKZ-MXWKQRLJSA-N 380.857 0.798 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1740601208 SSIBSCOTGAKNEU-HIFRSBDPSA-N 389.481 0.961 30 10 GCEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@H]1C 1740616078 RRIZJMHOHXKFRT-IKGGRYGDSA-N 377.489 0.792 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1740791686 AHBWLEBMRYNDGI-AWEZNQCLSA-N 378.477 0.783 30 10 GCEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748814876 KOEUFAAGQWTCGJ-OAHLLOKOSA-N 393.513 0.699 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749625978 GZELZOUTMXHZCW-INIZCTEOSA-N 395.467 0.841 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@H]1C 1760098914 XQIAMVINTMSRCW-XJIUQZFPSA-N 383.518 0.897 30 10 GCEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC(OCC)C1 1760160706 KLRKCZXAHOSSGW-UHFFFAOYSA-N 384.440 0.925 30 10 GCEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1760163152 NNRKSFPPIGFDPG-HNNXBMFYSA-N 382.534 0.690 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCOC[C@H]2C)CC1 1760257835 KIZRUXRCBFJXDE-QGZVFWFLSA-N 383.500 0.749 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H](C)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760500856 XQWBSRPTYKSRCY-YOEHRIQHSA-N 386.518 0.980 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1760515509 WHLUTMPSTSSVKK-UHFFFAOYSA-N 393.492 0.069 30 10 GCEE O=C(CCCS(=O)(=O)Cc1ccccc1)NCC#CCN1CCOCC1 1850114658 VIUFTLUZKRFBLN-UHFFFAOYSA-N 378.494 0.833 30 10 GCEE N#CCC(=O)O[C@@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851542473 SLLFIVKHTKCPEV-ZDUSSCGKSA-N 393.831 0.456 30 10 GCEE C[C@@H]1C(=O)N(C(=O)Cc2cnn(C)c2)CCN1CC(=O)c1ccc(C#N)cc1 1855121825 GBBZRUOWYMRUNX-CQSZACIVSA-N 379.420 0.776 30 10 GCEE C[C@@H](CCC#N)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)[C@H]1C 1856277377 WIKJFNMMLZKIDI-UONOGXRCSA-N 384.502 0.410 30 10 GCEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)CCn3cncn3)C2)C1 1856399183 DOBWUAZPTBSBCP-AWEZNQCLSA-N 395.423 0.073 30 10 GCEE Cn1cc(CN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)nn1 1856853913 VZAQOCGHJLVDRW-SFHVURJKSA-N 393.451 0.246 30 10 GCEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)nc2)C1)[C@@H]1CCN(C)C1=O 1857263850 JTMYZGZPHCDLCP-GOEBONIOSA-N 386.452 0.798 30 10 GCEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 1860933045 QBXBATCXQUZSSN-ZWKOTPCHSA-N 385.464 0.803 30 10 GCEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(CCO)CC1 1870451636 SZZZZVLMFNDKKY-UHFFFAOYSA-N 393.484 0.476 30 10 GCEE N#Cc1cncc(S(=O)(=O)N=c2cnc(I)c[nH]2)c1 2089285194 AQTIXFLKGIVSMF-UHFFFAOYSA-N 387.162 0.571 30 10 GCEE C#CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2123468635 NHKBNSXGRVIYDA-KBPBESRZSA-N 388.486 0.565 30 10 GCEE N#C[C@H]1CN(C(=O)N2CC(O)([C@@H](F)C(=O)O)C2)CCN1Cc1ccccc1 2172291234 AMKDQZCNUYRZRS-GJZGRUSLSA-N 376.388 0.286 30 10 GCEE C#CCN(C(=O)c1c(C)[nH][nH]c1=NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180138404 XDCVVKZACLEDEK-LBPRGKRZSA-N 396.469 0.750 30 10 GCEE C=C1CC(NC(=O)NCCn2cc(I)cn2)(C(=O)O)C1 2197763678 WDUGIYNNSWRQTN-UHFFFAOYSA-N 390.181 0.960 30 10 GCEE CC(C)(CS(C)(=O)=O)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267161771 GTHFJKIYFJDIAI-UHFFFAOYSA-N 388.320 0.995 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CNCC[C@@H]2O)OC1(C)C 2267372023 IKSNQENASVGGKB-RYUDHWBXSA-N 388.320 0.048 30 10 GCEE CC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267373052 YBXLLLCKTCQQFL-UHFFFAOYSA-N 388.320 0.852 30 10 GCEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)CO 2267474614 XYHYOZAYWWTXGC-JQWIXIFHSA-N 391.320 0.208 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)Nc2ncncn2)OC1(C)C 2267706983 JGYFZRPVBUILBS-UHFFFAOYSA-N 383.264 0.569 30 10 GCEE C=CCN(CCC(=O)N1C[C@@H]2OC[C@H](C(=O)O)O[C@H]2C1)C(=O)OC(C)(C)C 2279879658 ZNSQRJIGVOQODR-MELADBBJSA-N 384.429 0.879 30 10 GCEE C=CCCC1(C(=O)O)CN(C(=O)[C@H]2CNC(=O)CN2C(=O)OC(C)(C)C)C1 2280942442 GQHHMUBFOTXZEX-GFCCVEGCSA-N 381.429 0.601 30 10 GCEE Cc1sc(C(=O)N(C)[C@H]2CC(=O)NC2=O)cc1B1OC(C)(C)C(C)(C)O1 2281957565 NNOZTPBUQNMLIQ-NSHDSACASA-N 378.259 0.843 30 10 GCEE C[C@H](CO)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282028598 GVNMSHLZGKLYII-GFCCVEGCSA-N 381.307 0.581 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)[C@H]2CCNC2)n1 2282048111 HPOKNFZTFYNDRW-LJZMDLFKSA-N 382.295 0.319 30 10 GCEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282193571 NMTCAHIFSZAMMJ-LBPRGKRZSA-N 383.279 0.078 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC1=O 2282315458 ODXWYKDQHSUICU-ZDUSSCGKSA-N 380.275 0.461 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 2282329326 LCYQGDJKWKNFCU-NEPJUHHUSA-N 385.295 0.159 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@](C)(O)CCO)c2)OC1(C)C 2282342752 LUZYOQTZSCHMSB-QGZVFWFLSA-N 385.291 0.398 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3N)c2)OC1(C)C 2282348391 KSNOKTPTVGYWKR-LSDHHAIUSA-N 381.307 0.929 30 10 GCEE COCC[S@](=O)CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282515652 UVDFPAMXQNAFCU-AREMUKBSSA-N 382.291 0.506 30 10 GCEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2282521528 XZRUQIRXDVEITN-IMRBUKKESA-N 378.259 0.154 30 10 GCEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H](O)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282542251 HVOICCXLVQFGNH-GARJFASQSA-N 381.669 0.826 30 10 GCEE CC1(C)OB(c2scnc2CS(=O)(=O)NC23CCN(CC2)C3)OC1(C)C 2282835854 YZUUJOFLJHHHMP-UHFFFAOYSA-N 399.347 0.710 30 10 GCEE CC[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282846553 LKTRHVHRNYDFKE-GFCCVEGCSA-N 386.327 0.338 30 10 GCEE CC[C@@H]1COCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282847956 HEXMYWXAVSBFQL-GFCCVEGCSA-N 385.295 0.519 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282872485 XIYVADKRMZNKJJ-NSHDSACASA-N 387.213 0.536 30 10 GCEE C[C@H](CCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2284404207 WRUHLFVVJDUYFM-SNVBAGLBSA-N 387.267 0.251 30 10 GCEE COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284450006 XCNPESUFKPLKHK-GXFFZTMASA-N 381.259 0.796 30 10 GCEE C#CC(CO)(CO)NC(=O)c1noc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2290341781 XQFCVMXWUOUTOP-NSHDSACASA-N 380.401 0.228 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3OCC[C@@]3(CO)C2)OC1(C)C 2296428819 SJTUNAHRCLSTSO-PXAZEXFGSA-N 380.275 0.666 30 10 GCEE N#Cc1ccnc(N2CCO[C@H](C(=O)NCCN3CCc4ccccc43)C2)n1 2296588842 WQOPDBURYSHZBH-SFHVURJKSA-N 378.436 0.732 30 10 GCEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337333203 WZQPHQKTDDPNLS-MWLCHTKSSA-N 386.304 0.605 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@H]1O2 2359273723 SUOGGIHUDJYJDR-WCFLWFBJSA-N 383.279 0.318 30 10 GCEE CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362573368 LKMWMLYBDHVFHT-RYUDHWBXSA-N 377.275 0.888 30 10 GCEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)C#CC(C)(C)S(C)(=O)=O 2365198501 GHUJGUYOSARJJW-GFCCVEGCSA-N 396.469 0.793 30 10 GCEE COCCn1cc(C#C[C@H](N)[C@@]2(O)CC[C@@H]2CNC(=O)OC(C)(C)C)cn1 2366098195 CPOBLMDMBHCQIU-JTDSTZFVSA-N 378.473 0.874 30 10 GCEE CC(C)(C)OC(=O)N1CC(n2cc([C@@H](O)C#CC3(S(C)(=O)=O)CC3)nn2)C1 2367803188 ITPFGQOXXVZHPJ-AWEZNQCLSA-N 396.469 0.684 30 10 GCEE C#CCN1CC[C@H](N[C@@]2(C(=O)O)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)C1 2378806017 UFGPRFNRFANNDO-CKFHNAJUSA-N 381.473 0.809 30 10 GCEE CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 12405270 PDSBHJZSHBBMEC-BGIGGGFGSA-N 389.456 0.732 30 10 GCEE C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 39983774 UVLUPJFYMOGGAR-DPCFLFMUSA-N 378.450 0.894 30 10 GCEE CN(CCC#N)C(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O 46658531 XMVNLJOQEOIVRI-UHFFFAOYSA-N 381.352 0.862 30 10 GCEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccc3nncn3n2)CC1 106092528 DNYZEOGZWCBKCB-HNNXBMFYSA-N 382.472 0.977 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 114948990 CYGLOLCBXMNKIL-CYBMUJFWSA-N 377.411 0.252 30 10 GCEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)NC(=O)OCC)[nH]2)cn1 253561070 BQGOYYALFJCBRF-GIDUJCDVSA-N 378.418 0.998 30 10 GCEE CC/N=C(/NC[C@](C)(O)c1ccco1)N1CCN(c2nccn(C)c2=O)CC1 262758044 FDOITRUYXIBNNF-IBGZPJMESA-N 388.472 0.369 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2cccc(O)c2)CC1 267914789 GDYZTCJISBEWCL-VXPUYCOJSA-N 384.436 0.953 30 10 GCEE COC(=O)Cn1cc(CCN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)nn1 269452714 PZTXKZVPCBXFFD-SFHVURJKSA-N 382.380 0.332 30 10 GCEE Cn1cc(N2CCN(CC#CCN3CCN(c4cnn(C)c4)CC3)CC2)cn1 276288108 HEVXZTQTMDEJQL-UHFFFAOYSA-N 382.516 0.101 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 289001467 DYGXFNUIKWCGJG-GVDBMIGSSA-N 395.463 0.676 30 10 GCEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(C(=O)CC#N)CC1)C2=O 294364178 CMRNDEJTFMIKDC-ACJLOTCBSA-N 375.429 0.072 30 10 GCEE CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C#N 349478669 KUJMBOSEIGZKNC-NSHDSACASA-N 375.476 0.536 30 10 GCEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 374453445 QQXHBJWICXAPHD-HNNXBMFYSA-N 385.534 0.199 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)N3CCOCC3)CC2)c1 376536253 UTPBFSTVRQVFDX-UHFFFAOYSA-N 391.493 0.903 30 10 GCEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)CN1CCO 416301730 VSSZLVKNEVYOCZ-GJZGRUSLSA-N 379.482 0.387 30 10 GCEE Cc1nc(NC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)ccc1C#N 453703234 YZHFOKXDNFYIMU-JWTNVVGKSA-N 396.495 0.970 30 10 GCEE C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)C(=O)O 455870003 CIZPDWNXIYVDKM-HNNXBMFYSA-N 384.454 0.696 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N(CCO)Cc3ccccc3)CC2)n1 459810652 RSSBFRNDIRNVPL-UHFFFAOYSA-N 393.447 0.623 30 10 GCEE C=CCN(CC=C)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 459819132 SNMKSYXEQOADHU-MRXNPFEDSA-N 376.501 0.779 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](C4CC4)C3)CC2)cc1 459864033 JRVJKYFHQJAEOK-IBGZPJMESA-N 382.464 0.840 30 10 GCEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(C#N)c(OC)c2)c1 460615081 PYERBUQQYZEOTJ-UHFFFAOYSA-N 392.437 0.750 30 10 GCEE CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 517029263 CYGAXMPRICTCDN-UHFFFAOYSA-N 385.468 0.038 30 10 GCEE CO[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 518999484 CKOQXFMMAVWQOO-VXGBXAGGSA-N 387.483 0.723 30 10 GCEE CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1ccc(CC#N)cc1 519713779 QQYZSRATNZRSNB-UHFFFAOYSA-N 380.470 0.157 30 10 GCEE CSc1nn(C)c2ncn(CCS(=O)(=O)c3ccc(C#N)cn3)c(=O)c12 561856520 UAGGGCYDUZDEMX-UHFFFAOYSA-N 390.450 0.592 30 10 GCEE N#CCc1ccc(CS(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 564905495 OFBCFTKFZFXMDG-UHFFFAOYSA-N 389.481 0.957 30 10 GCEE C[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 581678072 ZGLCCGKFNUWFMA-GFCCVEGCSA-N 387.483 0.412 30 10 GCEE C[C@@H]1CN(C(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)C[C@@H](C)O1 585673829 VGIFVGFQOUTTDU-KUYROUBMSA-N 386.408 0.696 30 10 GCEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)CC1 594437431 JSVREAWKHKHNCT-QGZVFWFLSA-N 393.513 0.972 30 10 GCEE COC[C@@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 594630573 LGCGTFNMXXPHKN-ZDUSSCGKSA-N 387.483 0.630 30 10 GCEE CCC[C@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 594631578 RDONCNGGKHCIIZ-OLZOCXBDSA-N 387.483 0.724 30 10 GCEE CO[C@@H](CS(=O)(=O)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCOC1 594776279 XYNDZLXWQCGTAH-RDJZCZTQSA-N 380.470 0.457 30 10 GCEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 596691915 QRDYRIGNIYGCRI-NSHDSACASA-N 377.426 0.651 30 10 GCEE N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 600757424 VVGGMCDNCPTHOX-IRXDYDNUSA-N 393.451 0.799 30 10 GCEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 603794368 FTXYQICYMYWKPT-UHFFFAOYSA-N 383.473 0.682 30 10 GCEE CN(CCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)S(C)(=O)=O 613156667 BFTGFTSZGATKQY-UHFFFAOYSA-N 377.430 0.542 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 658472534 WHKITVFCIGRLMA-KRWDZBQOSA-N 394.516 0.241 30 10 GCEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 669304884 SLWZTGNULPLLBS-CQSZACIVSA-N 396.517 0.560 30 10 GCEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1C1CC1 732663240 LHKLVDIEMFPKRM-UHFFFAOYSA-N 387.486 0.916 30 10 GCEE Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C3CC3)nc21 732663612 AQUFVJJVZMHJIV-CYBMUJFWSA-N 394.435 0.724 30 10 GCEE CCn1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(=O)c2ccccc21 735660519 ABGJEVLOCHLCBX-SDXDJHTJSA-N 381.392 0.673 30 10 GCEE COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742560781 LTCOTNUSIWNYMM-VXGBXAGGSA-N 379.438 0.525 30 10 GCEE C#CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 751274471 VIPPFKDEMOJXBF-OCCSQVGLSA-N 387.454 0.637 30 10 GCEE C#CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 771761727 AWIPGFWHBFSGHV-QZTJIDSGSA-N 377.510 0.528 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 781963856 DOLXUIVOVCFDIE-UHFFFAOYSA-N 394.516 0.965 30 10 GCEE C#CCN(C(=O)Nc1ccc2c(c1F)CCNC2=O)[C@H]1CCS(=O)(=O)C1 794373955 IEVCUNFPOYMAHT-NSHDSACASA-N 379.413 0.766 30 10 GCEE C[C@H](C(=O)NS(=O)(=O)c1ccc(Br)cn1)n1cnc(C#N)n1 798827858 DCEUQXXBTHRDSI-SSDOTTSWSA-N 385.203 0.373 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@]2(C)CCCS2)n1 807776993 KGIADBPXGLBHKB-SFHVURJKSA-N 378.498 0.893 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN3CCCN2CC3)ccc1F 808022218 HPHLVXCMIPTNEG-OAHLLOKOSA-N 396.488 0.410 30 10 GCEE CC#CCS(=O)(=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 810770892 DAGWARWYHQZFRP-KRWDZBQOSA-N 385.445 0.892 30 10 GCEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 816693517 MMSUPCLSPCLRBT-KOLCDFICSA-N 382.214 0.908 30 10 GCEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCO2)CC1 818360042 VSKXSCNCZOUZFQ-FXAWDEMLSA-N 389.500 0.864 30 10 GCEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 838264912 PDPLQJLNDDPHBY-ZDUSSCGKSA-N 382.413 0.321 30 10 GCEE C#C[C@@H]1COCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O 840168639 MLPSEVSEWPQOFF-NQIIRXRSSA-N 382.464 0.865 30 10 GCEE COCC#CCOC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 850159482 FXKHXKRRDTXANI-CYBMUJFWSA-N 387.454 0.461 30 10 GCEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C#CC2CCNCC2)CC1 852840692 XUJWNMOZDHSYTN-UHFFFAOYSA-N 395.447 0.804 30 10 GCEE C#CC[C@H](CO)NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1 854549788 KRSZFHJTFHYMRJ-CYBMUJFWSA-N 377.445 0.964 30 10 GCEE C#C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 854769438 LWNUSOGNSJEBAB-STQMWFEESA-N 381.410 0.106 30 10 GCEE CCOCCS(=O)(=O)NCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 855305161 JVCYVVKNWZRGGT-QGZVFWFLSA-N 380.470 0.421 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 863432968 LUZUZJMGRHFHQI-UHFFFAOYSA-N 377.404 0.819 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 875602645 IWGJZPHDFSBYPN-LBPRGKRZSA-N 377.363 0.058 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@H]2CCCS2(=O)=O)n1 889820055 YOLMNXOINFBEFP-MRXNPFEDSA-N 382.486 0.642 30 10 GCEE C#CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 899270965 QRAXAGFKYGNJKH-ZDUSSCGKSA-N 387.502 0.785 30 10 GCEE C=CCCCN(CC)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 904950630 ZATAVFBBCCVKOM-AWEZNQCLSA-N 379.457 0.725 30 10 GCEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCCO)SC1=Nc1cnn(C)c1 906550657 DEWKCHZMJLDGRG-KBPBESRZSA-N 377.470 0.652 30 10 GCEE COC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 921190876 FFYUYSLASNANEO-NUJGCVRESA-N 377.466 0.824 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 931874214 DNGBGHWNKPRISS-UHFFFAOYSA-N 394.273 0.028 30 10 GCEE O=C(NC1CC1)[C@H]1CCCN(CC#CCN2CCC[C@@H](C(=O)NC3CC3)C2)C1 1117067520 ANLKXTDBPAJTKI-HDICACEKSA-N 386.540 0.971 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 1117983926 IISAQUNTCAGCMF-LBPRGKRZSA-N 396.369 0.574 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1CCc2cc(N)ccc21)[C@@H]1CCS(=O)(=O)C1 1118551242 ACINELDUUUBJEJ-ZBFHGGJFSA-N 375.450 0.021 30 10 GCEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1118773655 ALGNAJHAJDKBLS-SELCWUDQSA-N 391.468 0.977 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1=O 1120286966 QIORWAZQWRNWAI-IFXJQAMLSA-N 381.473 0.994 30 10 GCEE C#CCN1CCCC[C@H]1c1nnc(N2CCO[C@@H](CC(N)=O)C2)n1CC1CC1 1123610387 PYUCACINHOIXNG-IRXDYDNUSA-N 386.500 0.929 30 10 GCEE COC(=O)[C@@H](O)CCNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1124130968 ATBICTBWYBXMLG-HNNXBMFYSA-N 377.246 0.948 30 10 GCEE N#C[C@]12CN(C(=O)c3cc4c(nc3O)CCCC4=O)C[C@H]1CS(=O)(=O)C2 1157884012 CQBLJEVXGAGBSC-DYZYQPBXSA-N 375.406 0.317 30 10 GCEE N#Cc1cn(CCC(=O)N2CCC(O)(CN3CCCCC3)CC2)c(=O)nc1O 1180510649 QDUZGUFDYRCRTC-UHFFFAOYSA-N 389.456 0.050 30 10 GCEE Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1C#N 1255195260 NXRSJZSBGLXDAF-UHFFFAOYSA-N 399.451 0.079 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCc3nc4c(s3)COCC4)C2)c(=O)nc1O 1255723987 APVHRZFHWCOSEY-UHFFFAOYSA-N 388.409 0.116 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCS(=O)(=O)C1 1261195364 XFPVLDVGGQMJGQ-CVEARBPZSA-N 396.509 0.633 30 10 GCEE COC(=O)[C@@]1(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCOC1 1261801247 ICDAWHSGQBXFNO-GOSISDBHSA-N 392.481 0.898 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCC(C)(N2CCOCC2)CC1 1262947035 CUKHGTPXUUAZIA-IRXDYDNUSA-N 390.532 0.893 30 10 GCEE CN1CC(=O)Nc2cc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cnc21 1264321653 BKDMFWMMGZSNET-UHFFFAOYSA-N 382.384 0.154 30 10 GCEE C=CCN1CC[C@@H](N2CCC(CO)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O 1274930170 TYLOTHBQCHFGQL-VQHPVUNQSA-N 377.485 0.284 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(F)(F)C(F)F 1282687543 SSTXLBMXQDHUFA-VWYCJHECSA-N 377.338 0.665 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCOC)CC1 1286479540 HHECGGWOHPFCDY-KRWDZBQOSA-N 377.489 0.938 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1289142162 KIMHAVDSQAHRLL-BORJPKMPSA-N 393.440 0.169 30 10 GCEE C=C[C@H](CC)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1291935297 HFNBCGWCFNUFDS-WCVJEAGWSA-N 375.473 0.822 30 10 GCEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1300449829 YPFVRIMJFNKTMP-UHFFFAOYSA-N 383.408 0.602 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)OC 1300671644 LXMNCDUURWKWAS-CABCVRRESA-N 384.502 0.691 30 10 GCEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)CC1 1301066955 UOSYVVBAXPCPJM-AWEZNQCLSA-N 398.533 0.817 30 10 GCEE C#C[C@H]1COCCN1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1310438302 UUMODESWDRKQNI-AWEZNQCLSA-N 399.407 0.045 30 10 GCEE N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2COc3ccccc3O2)nc1 1323164300 VSIVJIGHIFNXNL-AWEZNQCLSA-N 381.392 0.438 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCS1(=O)=O 1329849115 RVVZBSVWCOGGOS-OIISXLGYSA-N 389.477 0.930 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCN1C1CC1 1329985113 NLNOLBWGZLVVRC-IAGOWNOFSA-N 381.436 0.107 30 10 GCEE Cc1ccc(CN(C)C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1331447835 POWUHNXVCSOHDW-UHFFFAOYSA-N 387.421 0.232 30 10 GCEE C=CCN(C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)[C@H](C)COC 1333471204 VVZPJNVSUKDENB-ZIAGYGMSSA-N 396.465 0.387 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)c(Cl)c1 1338280702 PLSUPRUTAICVGI-UHFFFAOYSA-N 383.857 0.754 30 10 GCEE C=CCn1c(CC(F)F)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 1338831607 YVYOIJRKVVKKGV-UHFFFAOYSA-N 392.476 0.980 30 10 GCEE C=CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339070149 TXGAVQBKMBPUPP-BEFAXECRSA-N 376.505 0.728 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1 1342412706 ZDZZUFNEVRVRMN-AWEZNQCLSA-N 396.465 0.982 30 10 GCEE Cn1cc(C#N)c(=O)n(C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1=O 1346805561 ZRKVFWYAAORXDU-ZDUSSCGKSA-N 376.413 0.587 30 10 GCEE C#CCN(c1nnc(C2(O)CC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1348449014 UWQXOOQQXIUHCQ-CYBMUJFWSA-N 392.506 0.996 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 1349591155 FYAMAYYDHPQLFM-ZIAGYGMSSA-N 385.342 0.840 30 10 GCEE N#Cc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 1350660791 KLSYLQZLHNFMFP-UHFFFAOYSA-N 377.344 0.268 30 10 GCEE C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CS1(=O)=O 1351086257 YELPZFWNYDWRRA-VHDGCEQUSA-N 375.450 0.993 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3C[C@H]4C[C@H]3[C@H]3C[C@@H]34)CC2)c1C#N 1351905091 AFBTYLSCTLIFND-FIDHJVLJSA-N 396.495 0.657 30 10 GCEE C=C(C)Cn1c(C[C@@H]2SCCNC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1356433231 JUAYITJGYMUUCA-OLZOCXBDSA-N 399.542 0.252 30 10 GCEE COCCOCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1F 1463163161 LBJYJAHNBLOMLJ-MAUKXSAKSA-N 396.440 0.999 30 10 GCEE C=C[C@@H](COC)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1467331096 AFEIGOIEFHEUFO-IIYDPXPESA-N 388.486 0.585 30 10 GCEE C=CCOC[C@@H](NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)OC 1467515369 HCRNJDHKUCWYAS-UONOGXRCSA-N 386.445 0.873 30 10 GCEE CCO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CN(C)C 1471760760 QHGNPSIUCZCVKE-ZFWWWQNUSA-N 382.486 0.308 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1490328656 YKCTWBWMWPGIHT-WCVJEAGWSA-N 377.485 0.705 30 10 GCEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cnnn1 1507678753 LZLQNYWXCVQMBR-SFHVURJKSA-N 388.476 0.855 30 10 GCEE C#CCN1CCN(c2nnc(COCC)n2Cc2cnn(CCOC)c2)CC1 1507732681 RLCJCCPVYZDNCE-UHFFFAOYSA-N 387.488 0.461 30 10 GCEE C[C@]1(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS(=O)(=O)N1 1515389792 ADGVZHHQGZBQDE-MAUKXSAKSA-N 390.465 0.642 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)C(N)=O 1522148222 YQIIHOLFXVXDIF-QPSCCSFWSA-N 378.473 0.217 30 10 GCEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCNC(=O)C1CC1 1522262817 TUWZKYIBBSCDHV-IHSNIMORSA-N 377.485 0.868 30 10 GCEE N#CC[C@@H](O)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CCOC1 1526219411 NZDZUEOTHVBEHY-UONOGXRCSA-N 384.431 0.519 30 10 GCEE C#CCN(c1nnc(CCO)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1526376978 CNMATIRIALODSQ-LSDHHAIUSA-N 382.486 0.009 30 10 GCEE COC(=O)c1cccn(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=O 1534509496 HTNRPZQWYHEZDT-CQSZACIVSA-N 382.376 0.581 30 10 GCEE C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1536139778 QIIRIERKFMVTAC-CNMWIUBYSA-N 378.469 0.832 30 10 GCEE C#CCN(c1nnc(CC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1539219364 JFDNWZFWJUSPAM-MRXNPFEDSA-N 377.514 0.729 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1539266069 LSBDXXLILQGNIR-QFPXGYFVSA-N 394.435 0.381 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CC)CC1 1539446405 YBIPXKOSLAMYRR-DLBZAZTESA-N 385.516 0.469 30 10 GCEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)CC1 1539848008 KQRSBTVFZYFTND-HNNXBMFYSA-N 393.513 0.863 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1 1540862340 ZMPBLVPOMWEJMC-AWEZNQCLSA-N 399.455 0.843 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540871578 OTHSEDAPRNNQMW-KFWWJZLASA-N 388.472 0.047 30 10 GCEE CCOC(=O)CON=C(C(=O)NCc1cccc(C(=O)OC)c1)c1cc[nH]n1 1545541000 LTJZQCGPOMYSMA-UHFFFAOYSA-N 388.380 0.797 30 10 GCEE COCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 1558062589 ARHDHFUGHPBUHZ-UHFFFAOYSA-N 381.454 0.491 30 10 GCEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1565496261 DDDVCXCNSMICQD-UHFFFAOYSA-N 399.561 0.388 30 10 GCEE CCn1ncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1Br 1585297684 WRYAQSOFSYUMRI-SDNWHVSQSA-N 382.218 0.922 30 10 GCEE N#Cc1cn(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(=O)nc1O 1585535889 HDJUKGPHJBZCBQ-UHFFFAOYSA-N 397.435 0.488 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC#N)CCC(=O)OC)s1 1587592284 NTCYDWAGMUUDKC-UHFFFAOYSA-N 385.467 0.670 30 10 GCEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1589060342 RFBKDCSHPFDJGE-AWEZNQCLSA-N 390.513 0.654 30 10 GCEE N#Cc1cccc(S(=O)(=O)N[C@@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@H]2O)c1 1615260425 UJELYRGHXQHSDP-ILXRZTDVSA-N 387.408 0.306 30 10 GCEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1617711942 HPNWDWXHUYRLTB-UONOGXRCSA-N 398.489 0.140 30 10 GCEE O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1629835311 DZSIHEDHBSWYAX-SVEBXFOSSA-N 389.427 0.457 30 10 GCEE CN(C)CCOc1ccc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1630035314 YTCLIEITVNIVIL-UHFFFAOYSA-N 399.451 0.510 30 10 GCEE 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CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccc(C#N)cc1 863862825 MVZQRSLJCAGWAV-DLBZAZTESA-N 391.493 0.138 30 10 GCEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCOC1 864483360 MRSPRAMVNPVLQZ-KRWDZBQOSA-N 381.429 0.979 30 10 GCEE C#C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 867339976 FWLGCPFLTYYJNY-LLVKDONJSA-N 387.255 0.631 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 873661892 SNPPIAHFKRSYSW-KBPBESRZSA-N 375.433 0.616 30 10 GCEE C#CCN(C(=O)NCCn1ccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 876354806 UPOBEYJYTUBKOR-LLVKDONJSA-N 378.376 0.734 30 10 GCEE C#CCN(C(=O)NCc1cc(C(=O)OC)c(C)n1C)[C@@H]1CCS(=O)(=O)C1 890008173 RDPBAPUVFBYDQR-CYBMUJFWSA-N 381.454 0.452 30 10 GCEE C#CC1(O)CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 912968161 HNYYLIDKYMOTEO-CVEARBPZSA-N 376.453 0.955 30 10 GCEE C=C1[C@H](C(=O)N2CCNC(=O)CC2(C)C)[C@H]1C(=O)N1CCNC(=O)CC1(C)C 913060591 FYAJYFSHPBRAFU-HOTGVXAUSA-N 390.484 0.043 30 10 GCEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)C(C)C 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CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(c2ccccc2)C1=O 1144622145 DPDFMUYYMQKLDE-OAHLLOKOSA-N 381.392 0.475 30 10 GCEE C=C(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)C(=O)OCC 1153516076 BXOMMVFCYGMAGB-GJZGRUSLSA-N 393.415 0.814 30 10 GCEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C(=O)NC)cc1 1185752989 NVIIEJFJQPNTEL-HNNXBMFYSA-N 386.495 0.551 30 10 GCEE N#Cc1cccc(CS(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1 1212308773 FLEIHCYSEBZOFO-UHFFFAOYSA-N 392.481 0.894 30 10 GCEE CC(C)(C)OC(=O)C1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CCOCC1 1261461809 YJYFUXUUMWDMIH-UHFFFAOYSA-N 391.428 0.600 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)C1 1261582729 CHNUJSDRKMXDHN-DEKZCIIQSA-N 390.509 0.797 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1262947156 GPKPVGVLWXIFMK-NONVJHHQSA-N 395.529 0.463 30 10 GCEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(C)CCC(=O)NC1 1263339860 VNNLPQSGBNPQHK-IBGZPJMESA-N 390.488 0.317 30 10 GCEE C#CCN1CCN(c2nnc(-c3ncc(C)nc3O)n2C[C@@H]2CCCO2)CC1 1263440910 ZSXNMVVXOXCPPE-HNNXBMFYSA-N 383.456 0.683 30 10 GCEE CS(=O)(=O)CC1(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)COC1 1263703223 MXKBIFPATJCUFF-INIZCTEOSA-N 377.466 0.457 30 10 GCEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286370623 ONDWOHZGEPMDOT-UHFFFAOYSA-N 397.464 0.761 30 10 GCEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1286767605 CAOKRNCNTNMJFB-RDTXWAMCSA-N 376.461 0.857 30 10 GCEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)CCO1 1303008851 BEWLJYJYJNURGR-MRXNPFEDSA-N 387.488 0.615 30 10 GCEE N#Cc1ccc(N2CC[C@H](C(=O)NCCCn3ccc(O)nc3=O)C2)c(F)c1 1304767844 OKTCIQIAIVQNSJ-AWEZNQCLSA-N 385.399 0.992 30 10 GCEE C#CC1(O)CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1310167683 XJKYRDVWUVLABY-XDJHFCHBSA-N 376.438 0.711 30 10 GCEE C#CCCN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cnn(C)c1 1316674396 WUXKKXOVUGCNGZ-XDNAFOTISA-N 387.484 0.141 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1323058054 UMCYIXVHJTVWPA-SLEUVZQESA-N 396.415 0.586 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCCCCn1cc(Br)cn1 1325541763 FADOMLYIUZGZLW-ZDUSSCGKSA-N 383.246 0.403 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)N2CCC(c3ccc(OC)cn3)CC2)nn1 1326689487 SYWKXDZPNYRHLJ-UHFFFAOYSA-N 384.440 0.890 30 10 GCEE CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1=O 1330477608 VAOBEJWROQXIMY-UHFFFAOYSA-N 387.415 0.037 30 10 GCEE N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H](N)C3)C2)cc1 1334823760 PUYJEFNQCBCICX-HUUCEWRRSA-N 396.369 0.886 30 10 GCEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)C(=O)NCC#Cc2ccccc2)O1 1335477508 CIDORSRNRSRVJK-OTWHNJEPSA-N 386.448 0.576 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCCC2)CCN1C1CC1 1336119035 BTDUBGJPAYABSZ-QGZVFWFLSA-N 389.500 0.388 30 10 GCEE C=CCn1c(N2CC[C@H](Nc3ncccn3)C2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339070996 YUJHECFFMMHNAV-KHYOSLBOSA-N 384.488 0.857 30 10 GCEE C=CCn1c([C@H]2CCC[C@H](CO)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1339276735 GXTXLQLINGJMMS-VGWMRTNUSA-N 375.473 0.824 30 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(C(=O)CC#N)CC1 1353593861 SONJKXKMHRUHMY-ZDUSSCGKSA-N 399.904 0.762 30 10 GCEE C=C(C)Cn1c(CN2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1355966873 DWXNDSVINNWLAW-OAHLLOKOSA-N 382.534 0.968 30 10 GCEE C=C(C)Cn1c([C@H]2C[C@H](O)CN2C)nnc1N1CC(C)(C)O[C@@H]2COC[C@H]21 1357118649 QEAYQXOWLDORSU-ZJIFWQFVSA-N 377.489 0.974 30 10 GCEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1358975626 YTJSZHCILOTRJP-UHFFFAOYSA-N 399.476 0.353 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1358979875 ZYQSKBHOCNFTFC-ROJDOSBLSA-N 391.497 0.650 30 10 GCEE C=CCn1cc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)nn1 1436931900 PHXMHWIEZKWOQF-LLVKDONJSA-N 381.483 0.682 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)C1=O 1439320681 KXTIDGHROXCGEE-AWEZNQCLSA-N 384.392 0.943 30 10 GCEE N#Cc1cn(CCNC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(=O)nc1O 1453847649 ZYHPFPOEZINZKD-UHFFFAOYSA-N 388.815 0.899 30 10 GCEE COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 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N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3CCCCS3(=O)=O)C2)nc1 1596984446 KXCKOZHRRTXRRD-HNNXBMFYSA-N 377.470 0.782 30 10 GCEE CCOC(=O)CON=C(C(=O)N1CCN(CC(C)(F)F)CC1)c1cc[nH]n1 1598041633 XHQGMGHUHHQULE-UHFFFAOYSA-N 387.387 0.493 30 10 GCEE COC(=O)[C@](C)(O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1611208070 VGKGZRNPBOMBBA-OUCPGLIZSA-N 395.456 0.813 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1=O 1618020732 APZHITXOHOPNQH-CQSZACIVSA-N 384.433 0.130 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1618265575 GGBVSXFJWZFVLQ-CYBMUJFWSA-N 392.456 0.836 30 10 GCEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nc2n(c1C#N)CCOC2 1623344470 SCXFJBLBBVXIAZ-UHFFFAOYSA-N 376.417 0.033 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 1623669500 RKSGMXJLGLIKKO-HOTGVXAUSA-N 379.424 0.032 30 10 GCEE COc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C#N 1632533717 AJFQXEMEDGYMOY-OCCSQVGLSA-N 377.422 0.541 30 10 GCEE 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387.483 0.220 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)cn1 595081959 VATLAHXMPREADH-CYBMUJFWSA-N 391.395 0.218 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C23CCC3)n1 595181784 ICGSDVIJYSLDRU-GJZGRUSLSA-N 383.383 1.241 30 10 GCEE CCN1CC[C@@H](N(CC)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 597250801 ZXCFFZYURQMJQT-GOSISDBHSA-N 398.511 0.981 30 10 GCEE C[C@@]1(C2CCN(C(=O)C(=O)NCC3(C#N)CCCCC3)CC2)NC(=O)NC1=O 597396997 NRLNQDPPOBYXSU-SFHVURJKSA-N 389.456 0.413 30 10 GCEE CN1C(=O)CO[C@H](C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@H]1c1cccnc1 598817402 SKCWVXXUKZDGFS-CVEARBPZSA-N 382.424 1.442 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 600761962 AZQNEKPUOBXMQO-IUODEOHRSA-N 385.467 0.334 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CCCO3)C2)cc1 600762526 GMXKDLZRRVWVRH-ZDUSSCGKSA-N 399.494 0.773 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 603923483 TYANIGLLCDWDHC-ZDUSSCGKSA-N 387.436 0.477 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC2)CC1 612737876 AGGIJLXAOXHXTJ-UHFFFAOYSA-N 389.504 0.251 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 613537708 ILSGJMUAJBBWOY-QGZVFWFLSA-N 396.513 0.936 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 658521542 GVYBBBPNPXNDCK-HDICACEKSA-N 380.533 0.712 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 669040632 WJGBGTYSZKUSLP-UHFFFAOYSA-N 387.492 0.250 30 10 GCEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 725764411 TVKWGFOTRZXNRH-UHFFFAOYSA-N 386.477 0.552 30 10 GCEE C#CCNC(=O)CN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 728571191 XXFHQUSVBUZTMR-UHFFFAOYSA-N 375.498 0.327 30 10 GCEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 729330638 GSRXTMUQVYUVQD-CQSZACIVSA-N 384.479 0.199 30 10 GCEE C#CCN(C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 729332048 UDVCBDDZMVTXFN-WMZOPIPTSA-N 392.477 0.911 30 10 GCEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNS(=O)(=O)NC(C)C 760640079 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385.262 0.908 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(c2nccnc2C)CC1 1121611300 YKTXDTWWKIPFAD-JKSUJKDBSA-N 384.488 0.627 30 10 GCEE C=CCn1c(CN(C)S(N)(=O)=O)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 1121676612 DPKIGMYQYONMLS-QAPCUYQASA-N 388.497 0.877 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1122525461 IBGAIVFXIZTDBS-GJZGRUSLSA-N 398.533 0.327 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(F)c2S(C)(=O)=O)C1=O 1129641844 MMPORFDRKWBRSP-UHFFFAOYSA-N 383.357 0.145 30 10 GCEE CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1F 1134055765 FIYLWXZPFFOVTM-NHYWBVRUSA-N 386.426 0.240 30 10 GCEE CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1137119230 ZRMMKJDXBRQLMD-CYBMUJFWSA-N 381.385 0.389 30 10 GCEE C#CC1(O)CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1158398598 RORQUHCKKIEJLL-AWEZNQCLSA-N 375.450 0.346 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CCOC2=O)C1 1159902710 FCXIKGIXTCLKSG-YVEFUNNKSA-N 377.422 0.391 30 10 GCEE 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Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](O)[C@H](C)O 2267365017 JANOGUVGUPCECO-ONGXEEELSA-N 391.320 0.376 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CC(=O)NC(=O)C3)ccc2Cl)OC1(C)C 2281791025 WLRKXSFKOFOPDB-UHFFFAOYSA-N 378.621 0.738 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1COCCN1 2281983186 YIRHBBJXOHCVIZ-LBPRGKRZSA-N 381.307 0.811 30 10 GCEE CC1(C)OB(c2cnc(C(=O)NCc3nc(O)n[nH]3)c(Cl)c2)OC1(C)C 2282005776 RCLKVIFVRCYOGB-UHFFFAOYSA-N 379.613 0.788 30 10 GCEE CN(C)C[C@H](CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282005924 RUBWHBMJEDMNBQ-GFCCVEGCSA-N 383.685 0.687 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCn3ncnc3C2)OC1(C)C 2282016641 AHMUSZNNLTYJAP-JTQLQIEISA-N 375.263 0.779 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N=[S@@](C)(=O)C3CNC3)c(F)c2)OC1(C)C 2282049543 ASLCPAPLPNOXQE-SANMLTNESA-N 383.254 0.730 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(C1)CC2(F)F 2282324092 KSJJDUJUAIVNLJ-UHFFFAOYSA-N 390.221 0.144 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@H](O)C[C@H]3CN)c2)OC1(C)C 2282348535 MMWILQZZBSEEPT-UONOGXRCSA-N 382.291 0.068 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(C)CCCN2)n1 2282492674 PWJNQYFXGYFHFN-MRXNPFEDSA-N 384.311 0.140 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H](CCO)C(F)F)n1 2282492856 TUPMYSJMJSLOBC-SNVBAGLBSA-N 395.237 0.014 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3C(C(N)=O)[C@H]3C2)OC1(C)C 2282498091 YTVMRRRUEKQGPT-UWVGGRQHSA-N 398.315 0.399 30 10 GCEE Cc1ncc[nH]c1=NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502163 HIFMYCKIQJGWHB-UHFFFAOYSA-N 379.251 0.040 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H]3C[C@]3(F)C2)n1 2282504431 OQSUKWPPRWRSBH-BZNIZROVSA-N 385.270 0.842 30 10 GCEE Cc1nn(C)c(C(=O)NC[C@]2(O)CCSC2)c1B1OC(C)(C)C(C)(C)O1 2282582793 BEWQLBIEGWBMGO-QGZVFWFLSA-N 381.307 0.626 30 10 GCEE Cc1nnc(CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)n1C 2282619789 WDHOUAAZPWQMAC-UHFFFAOYSA-N 377.279 0.852 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@H]2CSC[C@@H]2C1 2282684718 VFNWDIQXORATKI-QWRGUYRKSA-N 378.307 0.986 30 10 GCEE C[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C 2282827781 DCAIKDRHYYXWHV-WFASDCNBSA-N 381.307 0.752 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3COC[C@@H]3N)c(F)c2)OC1(C)C 2282831013 DATRXFDEDDVQMX-QWHCGFSZSA-N 386.254 0.129 30 10 GCEE CCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O 2282855938 LFBZPDAKBXNOCD-AWEZNQCLSA-N 382.291 0.918 30 10 GCEE CC1(C)OB(c2scnc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c2sncc2C(=O)N(CC(=O)O)[C@@H]2CCOC2)OC1(C)C 2362572916 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Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1 450129343 SBRBZLIBBJBKBO-AWEZNQCLSA-N 378.454 0.246 30 10 GCEE COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1C 470923496 MDAFGLKVNNSOSS-RISCZKNCSA-N 382.380 0.487 30 10 GCEE Cn1cc(C#N)cc1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 471581233 NFBSSZVMVQSPDL-UHFFFAOYSA-N 380.470 0.600 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3nc(N)ns3)CC2)c1 533607572 LAMCCWVNWNKXAW-UHFFFAOYSA-N 378.483 0.588 30 10 GCEE COCc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ncn1 544862910 DMMQTIUAQMSFHJ-UHFFFAOYSA-N 381.396 0.177 30 10 GCEE C[C@@H](C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)n1cnc(C#N)n1 552261763 ORLKSMZQAGXJDP-NWDGAFQWSA-N 394.482 0.599 30 10 GCEE CCc1c(C(=O)N[C@@](C)(C#N)CSC)cnc2c1c(=O)n(C)c(=O)n2C 568639758 SYMWFPCIRCIRKN-KRWDZBQOSA-N 375.454 0.570 30 10 GCEE N#Cc1ccc(NCC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 576447395 VLUQWUJGJBYUBU-HZPDHXFCSA-N 391.431 1.401 30 10 GCEE C[C@H](C#N)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ncn(C)n2)c1 577866824 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385.516 0.812 30 10 GCEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)n2c1CCCC2 244205880 VRJFBDDDUSZGAY-UHFFFAOYSA-N 395.467 0.888 30 10 GCEE C[C@@H]1[C@H](O)C(=O)[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@@]1(C(=O)C=O)CO1 256057102 MLIJBZORKJUODY-DTTPVHMVSA-N 380.437 0.195 30 10 GCEE CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2cnn(C)c2)C1 262423825 RJGOMNHJCCGURL-GJZGRUSLSA-N 382.534 0.379 30 10 GCEE COCCOCCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 284390170 YVKNFFQQWLIPKD-UHFFFAOYSA-N 375.425 0.707 30 10 GCEE O=C1CCCN1c1ccc(F)c(/C(O)=N/CCN2CCS(=O)(=O)CC2)c1 329722798 NLHIVDIAAWLZTO-UHFFFAOYSA-N 383.445 0.988 30 10 GCEE N#CC1(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCOCC1 332832091 FYUQTEYGOYIRQS-QGZVFWFLSA-N 382.420 0.651 30 10 GCEE CCN1C(=O)[C@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CCN2C1=O 377995070 FMTDIJISRCEJEV-OAHLLOKOSA-N 393.407 0.435 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)CCO1 409548013 HFGQWGNKZCIUGP-QGZVFWFLSA-N 392.481 0.484 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC4(CCNCC4)C3)CC2)n1 423440403 XEDXEGYSWCNWQL-UHFFFAOYSA-N 382.468 0.204 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 425798010 YCVGGFYDSFPPPM-GWCFXTLKSA-N 385.417 0.380 30 10 GCEE Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)c1=O 433897365 NZCGCBPUMFWFRQ-UHFFFAOYSA-N 384.371 0.078 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 453753381 VOHDHWVPTUOLGI-HNNXBMFYSA-N 378.454 0.736 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccnc2)CC1 459884773 WSJJPYYBZHCDPV-QGZVFWFLSA-N 385.468 0.192 30 10 GCEE CO[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC[C@@H]1C 467143756 HAWSCLKVBHQWCL-WFASDCNBSA-N 382.424 1.269 30 10 GCEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 471899143 MAFLOWYQLKZQDV-UHFFFAOYSA-N 384.889 0.996 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)C1=O 506395816 BGANHCHYBDPYSE-JKSUJKDBSA-N 387.484 0.683 30 10 GCEE N#CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CCC2)c1 516492139 RIANPXKVZBQJMD-UHFFFAOYSA-N 399.494 0.557 30 10 GCEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 520364654 SNJQDKKJWIMUFT-CYBMUJFWSA-N 384.845 0.227 30 10 GCEE Cc1nn(C)c(N2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)c1C#N 530361218 CMNTVZYSJRKFFT-ZWKOTPCHSA-N 386.500 0.892 30 10 GCEE N#Cc1ccc(NCC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)nc1 540925192 MTHZDZYGRAQSKW-UHFFFAOYSA-N 397.460 0.968 30 10 GCEE N#CCC(=O)N1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 558352027 NJRBAJWDMHYDES-UHFFFAOYSA-N 393.329 0.879 30 10 GCEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(O)n1 559292093 HYOOKSPFDHHBKY-UHFFFAOYSA-N 394.435 0.636 30 10 GCEE N#CCc1ccc(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 571321192 FLKGWPSTFGYTBP-UHFFFAOYSA-N 382.424 1.130 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CC4)CC3)C2=O)cc1 571476673 JZWDGYNJMNMLKU-SFHVURJKSA-N 395.463 0.476 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C4CCC4)C3)CC2)c1 576327744 OMGKYUNADXXIBC-QGZVFWFLSA-N 383.452 0.629 30 10 GCEE CO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 580580501 CEEKTZDCWLFNBC-LBPRGKRZSA-N 385.467 0.430 30 10 GCEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 587706400 WCQRDBJHVHOSMZ-AWEZNQCLSA-N 386.452 0.831 30 10 GCEE CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)[C@H]2C1 590281777 RMAOHGZKFSZUNB-WBMJQRKESA-N 398.854 1.498 30 10 GCEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCN(C)S2(=O)=O)cc(OC)c1OC 592613240 OVMUKWUJOKUORW-FZMZJTMJSA-N 383.426 0.427 30 10 GCEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 593675850 DDINIPVXNXDZLY-UHFFFAOYSA-N 387.440 0.128 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H](C2CCOCC2)C2CC2)CC1 593932679 XMSDLBJBNPIBPV-GOSISDBHSA-N 397.479 0.923 30 10 GCEE C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 595171065 KYEAGZPRBHNWEM-DNVCBOLYSA-N 380.408 0.631 30 10 GCEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CCCOc1cccc(C#N)c1 598633840 ARGPIKAXKUBFHO-HOCLYGCPSA-N 386.408 0.495 30 10 GCEE CN1C2(CCC2)COC[C@@]1(CO)CNC[C@H](O)COc1ccc(CC#N)cc1 600756272 UTOUJVPIBLVTCN-RXVVDRJESA-N 389.496 0.698 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CCCO3)C2)c1 600761355 OELNYPNXOLJYTO-UHFFFAOYSA-N 399.494 0.774 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@]23C[C@H]2COC3(C)C)c1 600761826 SEFRVXPAWJNXFG-LRDDRELGSA-N 399.494 0.676 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C[C@H](C)N1CC#N 601489659 IHJYXAQHKVMRHA-STQMWFEESA-N 383.495 0.623 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCCN(C)CC(F)(F)F)CC1 604174206 HDEADKOUIPWEAI-UHFFFAOYSA-N 379.427 0.500 30 10 GCEE CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 610632215 WNIHUBRDNDEDAN-UHFFFAOYSA-N 388.453 0.434 30 10 GCEE CCOC(=O)c1c(NC(=O)NCc2cn(C)nn2)c(C#N)cn1CCOC 614215947 PCKPPIIIXOGCLJ-UHFFFAOYSA-N 375.389 0.633 30 10 GCEE C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 658654540 AXQPVSRUWSSDNW-XHSDSOJGSA-N 396.465 0.107 30 10 GCEE C=C(C)Cn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN2C(=O)NC[C@H]2C1 669334827 LUODNIBZMCRXAO-PMPSAXMXSA-N 387.488 0.604 30 10 GCEE C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 729334012 FZPFKFSCKMKLQL-JKSUJKDBSA-N 381.498 0.563 30 10 GCEE C#CCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 732757714 QAOFUWGTKJQGIH-MRXNPFEDSA-N 376.482 0.096 30 10 GCEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@]3(CCSC3)C2=O)n1 788366205 MQCNPWGWHOIVIP-SFHVURJKSA-N 376.482 0.804 30 10 GCEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC(=O)N2C(C)(C)C)cn1 796811914 KRSGPEHLHYKLPJ-DZGCQCFKSA-N 395.485 0.858 30 10 GCEE COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 798743787 LBTTWUPTPCKOHF-AWEZNQCLSA-N 398.423 0.611 30 10 GCEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 800129360 WSBPCLKJYJKTIR-MCIONIFRSA-N 388.490 0.691 30 10 GCEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780701 FAYVIXHFETXVBA-YKYPZQJLSA-N 376.335 0.874 30 10 GCEE C#C[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(Cl)cc1F 807327711 DMBQUYMIYSDTOV-UFBFGSQYSA-N 375.809 0.063 30 10 GCEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CC1(C#N)CC1 815412786 RSLBDQFLPLHVJM-LLVKDONJSA-N 377.422 0.849 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1)[C@@H]1CCCO1 829214576 NTICTFIAFRJTHG-ROUUACIJSA-N 377.485 0.291 30 10 GCEE CC1(C#N)CN(C(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 846951104 OQEKYQGFBIWYDB-GFCCVEGCSA-N 383.470 0.640 30 10 GCEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 850121595 VWGNJJRLIMJMGY-SCTDSRPQSA-N 388.424 0.578 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccnc1 853881175 ZGMAEYIRCXDPIC-UHFFFAOYSA-N 396.469 0.346 30 10 GCEE C#C[C@H](NC(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1)[C@H]1CCCO1 854005028 YCMVTZZFQYXXJL-QKNQBKEWSA-N 387.480 0.730 30 10 GCEE Cc1ccc(Br)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 863935065 SXCXWSDCSLMTQC-UHFFFAOYSA-N 390.197 0.984 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 875194778 JMAGNQZNVTYISG-KRWDZBQOSA-N 390.484 0.774 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1 875601254 IPOVWACRRFSFFG-LBPRGKRZSA-N 376.384 0.652 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 891100781 BHSKHFYJGRVVIT-JTDSTZFVSA-N 380.489 0.342 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC)o2)c1=O 901851406 YOHAURXRKJNVHG-UHFFFAOYSA-N 385.445 0.562 30 10 GCEE C#C[C@@H]1COCCN1C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 909927414 OZMRCDBHFGLOHF-GDBMZVCRSA-N 381.473 0.903 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CCN(C)CC1 910884849 FPTXJKLBBWBNKN-UHFFFAOYSA-N 394.479 0.158 30 10 GCEE CN(CCN1CC2(CCOCC2)C1)C(=O)C(=O)NCc1cc(C#N)ccc1F 931600214 XMLKWPOLUWQJBV-UHFFFAOYSA-N 388.443 0.884 30 10 GCEE CN1C[C@H](CCNC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CC1=O 931652851 PYYQWKPGLUYZJU-CYBMUJFWSA-N 389.481 0.253 30 10 GCEE Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116519757 HRPHFBOXZSSNTL-VLUKHXRESA-N 388.428 0.636 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1117017999 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CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@@](F)(C#N)C2)C1 1154345906 UFOAQQXTGDFGIA-MLGOLLRUSA-N 389.449 0.875 30 10 GCEE C#CCN(c1nnc(-c2ccc([S@@](C)=O)cc2)n1C)[C@H]1CCS(=O)(=O)C1 1262843994 IDUUYSJHZQVYEK-HWRSSNJWSA-N 392.506 0.846 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CC[C@H](COCCOC)C1 1262943878 BYSKBVKBLSFARB-KBPBESRZSA-N 385.490 0.318 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCN(CCOCC)CC1 1262960512 FBJAWXOJWUACHB-HNNXBMFYSA-N 394.545 0.397 30 10 GCEE C=CCn1c(C[C@@H]2CCOC[C@H]2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1262987289 SGRGCDKHASXBHG-HRCADAONSA-N 390.488 0.662 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1263340936 XZOWSCBVBOXEPJ-OAGGEKHMSA-N 397.545 0.995 30 10 GCEE C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C 1264708252 KWICGRMQSJKKLS-WVWOOGAGSA-N 379.379 0.214 30 10 GCEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCNS(C)(=O)=O 1286464213 WRRUFSCYTHIZBK-UHFFFAOYSA-N 395.460 0.719 30 10 GCEE 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30 10 GCEE COCc1n[nH]c(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)n1 596747425 GXMNZGAYZLYCJR-UHFFFAOYSA-N 376.446 0.620 30 10 GCEE N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 600084348 AGFYLSHXRRJZLM-SFHVURJKSA-N 379.420 0.909 30 10 GCEE CN1C2(CCC2)COC[C@@]1(CO)CNCCS(=O)(=O)c1ccc(C#N)cc1 600753263 NLIFXIKTHSMRFW-IBGZPJMESA-N 393.509 0.537 30 10 GCEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 602923897 KYVSHLABKIQHMR-VAMGGRTRSA-N 386.496 0.803 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 603815795 LZFYUCPMOIYAPC-NRFANRHFSA-N 386.496 0.070 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 616206476 MXLZVENUQCDCJG-JKSUJKDBSA-N 388.534 0.528 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 617266931 BWESQEAYVGNCFY-CQSZACIVSA-N 375.454 0.905 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(C3CCOCC3)n2)CC1 667895808 BKDQHQDWGUCTDL-UHFFFAOYSA-N 376.461 0.686 30 10 GCEE C=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)OCC 734027942 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C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)N1CCCC1 1282730672 WSGJYPUHOQJLQU-JJXSEGSLSA-N 378.473 0.631 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCN(C)[C@@H]2CC)CC1 1294684685 YHVWZBVDXRFPCB-MANSERQUSA-N 392.544 0.568 30 10 GCEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](C)O[C@H](C)C1 1301482032 RTBQBRKQIHZZPA-QLFBSQMISA-N 381.477 0.918 30 10 GCEE C#CCN(C(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1321536980 YAAXWTGTNSHGHE-CQSZACIVSA-N 383.514 0.061 30 10 GCEE C#CC[C@H](NC(=O)C(=O)NCc1ncccc1S(C)(=O)=O)c1ccccc1 1322653085 GOGRSQLZKAJRGH-HNNXBMFYSA-N 385.445 0.982 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 1325567385 MPXIRFZIUYAIEO-BHIYHBOVSA-N 385.464 0.253 30 10 GCEE C#CCN(C(=O)C(=O)NCc1ccc([S@](C)=O)cc1)C1CCN(C)CC1 1333033643 WVYCLTKXEIUHBF-SANMLTNESA-N 375.494 0.596 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1335521999 ZYXBQLVJKMTLAY-MRXNPFEDSA-N 394.516 0.962 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CCc3cccs3)CC2)CC1 1338005516 MPZYHOHDNFKJRJ-UHFFFAOYSA-N 389.521 0.812 30 10 GCEE C#CCN(c1nnc([C@H](O)c2ccccc2OC)n1C)[C@H]1CCS(=O)(=O)C1 1338712083 HQIDINCWEWRLND-XJKSGUPXSA-N 390.465 0.532 30 10 GCEE C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1339139167 DHLPGDVFUUZBDN-BFHYXJOUSA-N 396.517 0.474 30 10 GCEE C=CCn1c([C@H](OC)C2CC2)nnc1N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1339938228 PPYJKZMMCQVUKU-MELADBBJSA-N 378.429 0.960 30 10 GCEE C=CCn1c(N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)nnc1[C@@]1(O)CCSC1 1341982401 OSGQJYJXCCACGP-MORSLUCNSA-N 394.497 0.805 30 10 GCEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N(CCOC)CC1CCN(C)CC1 1342061909 MQXJGZLJBLLOMO-QZTJIDSGSA-N 392.548 0.996 30 10 GCEE C=CCn1c(-c2cnn3c2NC[C@H](C)C3)nnc1N1CCN2C(=O)NC[C@H]2C1 1342325724 YQBBAHHZAAQHKZ-STQMWFEESA-N 383.460 0.603 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 1347608234 DKQNRTJKIAGHMF-YJNKXOJESA-N 378.473 0.535 30 10 GCEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1cn(C2COC2)nn1 1359011567 BZKMLYBCKNPCCZ-UHFFFAOYSA-N 378.440 0.935 30 10 GCEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(OCC(F)(F)F)nn1 1453161744 AESIJIRQOZXQKP-CCEZHUSRSA-N 399.329 0.950 30 10 GCEE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460882386 NQYRVHNURLFYMI-MQIPJXDCSA-N 378.410 0.792 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)nc2CC)CC1 1467429601 DQXPGSUSNAECHG-UHFFFAOYSA-N 381.458 0.270 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2c(O)ncnc2cn1 1472529295 UJCWHQUMYHQGOJ-NSHDSACASA-N 376.380 0.743 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCS(C)(=O)=O 1507711094 NQTUXPQXNCLUGI-HNNXBMFYSA-N 384.502 0.693 30 10 GCEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1507935598 RINAYFLLAMTDNU-HNNXBMFYSA-N 390.488 0.881 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1508059426 TWOIHDPZRRQYAY-RUXDESIVSA-N 387.481 0.981 30 10 GCEE C=CCOCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCO1 1517996363 DEPRZKJHGBTXCF-MRXNPFEDSA-N 392.504 0.370 30 10 GCEE COC1(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CS(=O)(=O)C1 1519795402 UEHQHENLPOPCGY-UHFFFAOYSA-N 379.438 0.573 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1539322979 BRNXZQPHVPFGOY-HNNXBMFYSA-N 379.486 0.184 30 10 GCEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCOCC2)CC1 1539444535 QSBQPFKKKRZBLV-UHFFFAOYSA-N 395.511 0.818 30 10 GCEE Cc1cc(C#N)c(O)nc1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1545270048 UYXDEHOEKGBGIU-AWEZNQCLSA-N 380.470 0.548 30 10 GCEE CON(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1555768463 CDSFKZZGUURRCO-WUKNDPDISA-N 383.412 0.788 30 10 GCEE CN(C)C[C@]1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558042292 MIUCCVOKAIVPJE-GOSISDBHSA-N 394.497 0.030 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)cc1 1558606799 GGINGCDZCQFMSL-HOTGVXAUSA-N 393.465 0.633 30 10 GCEE CCOc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)c1 1561764656 FTXIGQGANIZWKV-UHFFFAOYSA-N 378.410 0.506 30 10 GCEE Cc1cc(C(F)(F)F)nn1CCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1565354091 DJHYSDYGQUEZEQ-UHFFFAOYSA-N 399.333 0.344 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCOCCS(C)(=O)=O 1588263662 ZKFPUOLXCJPUOA-UHFFFAOYSA-N 397.501 0.035 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1594680096 NGEWSQOVEVMLLG-KGLIPLIRSA-N 398.533 0.817 30 10 GCEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1597722041 GKLKYAGZRRWHGM-UHFFFAOYSA-N 377.426 0.695 30 10 GCEE N#Cc1cn(CC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(=O)nc1O 1625473656 FESGJLDXHHOLTQ-IBGZPJMESA-N 386.383 0.413 30 10 GCEE N#Cc1cn(CC(=O)NCCNc2ccc(C(F)(F)F)cn2)c(=O)nc1O 1631358679 SLPKHTVYGLUVDT-UHFFFAOYSA-N 382.302 0.463 30 10 GCEE CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1633550806 ZDZBXKRVGWNCGF-UHFFFAOYSA-N 391.428 0.582 30 10 GCEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1=NCC(=O)N1C 1634187319 XGLBQQIRHOPGNJ-LBPRGKRZSA-N 391.453 0.228 30 10 GCEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC2(CC#N)CC2)c1 1635529128 BSGYKPOTOGWYEF-UHFFFAOYSA-N 385.467 0.178 30 10 GCEE C=CCn1c(S)nc2cc(C(=O)N3CC(O)(c4ccnn4C)C3)ccc2c1=O 1650877389 OGBRIPVZPQRGPU-UHFFFAOYSA-N 397.460 0.948 30 10 GCEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(=O)n1C 1652998150 MCRYMMJXNXQLNM-UHFFFAOYSA-N 383.408 0.202 30 10 GCEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)c1 1666555138 AFPCYOUYBSONOT-UHFFFAOYSA-N 382.401 0.821 30 10 GCEE C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1677571461 GOSANCAYKIEISM-HZSPNIEDSA-N 376.461 0.486 30 10 GCEE COc1cc(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)ccc1C#N 1682344028 AAYKDMIEMWSHCG-UHFFFAOYSA-N 388.471 0.423 30 10 GCEE COCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)CC2 1685481767 HEUMXGCYTKEWQR-GFCCVEGCSA-N 376.417 0.228 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1685891986 HIOKLQWVKKQQKW-TUVASFSCSA-N 377.445 0.176 30 10 GCEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1690513745 HXTHCWDAJWQETA-UHFFFAOYSA-N 393.473 0.439 30 10 GCEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N2CCOCC2)C1 1698483354 ACSOWGURDPGWKE-KBXCAEBGSA-N 392.435 0.820 30 10 GCEE CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1(C)C 1700920135 STUDGUGNPWGOLE-WMOPWKTHSA-N 388.512 0.999 30 10 GCEE C=CC1CCN(c2nnc(COCC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705785408 HKUMXRRKBUPAFT-KRWDZBQOSA-N 384.502 0.767 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](COC)C1 1705894904 NZUYYMDXVPIFMU-AWEZNQCLSA-N 378.477 0.581 30 10 GCEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCN2CCOCC2)C1 1712875638 GFZTWYVHELGIPU-SFHVURJKSA-N 386.435 0.899 30 10 GCEE C=C[C@@](C)(O)CC(=O)N(C)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1718458734 DXYOWVPLYGMBIM-LBLLVPRASA-N 380.485 0.814 30 10 GCEE CN1CCCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)C1=O 1719805496 PLMFHNGYUSHAMH-KBXIAJHMSA-N 378.498 0.750 30 10 GCEE C=CC(C)(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1719855181 YKHVLAZWHWHDKZ-ILXRZTDVSA-N 375.473 0.741 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2COCCO2)CC1 1722167323 ZAWJYIOMLSFQKM-SGYMCOKNSA-N 388.464 0.278 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1722283829 JSLNZARTCGGORV-HUUCEWRRSA-N 390.488 0.369 30 10 GCEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722615211 KKNXJNFEEDMABN-CQSZACIVSA-N 396.517 0.667 30 10 GCEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1748906807 YMXNLZNZJXNINT-ZDUSSCGKSA-N 379.490 0.438 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCSC2)CC1 1748990481 XPVYHLBEJKVGHP-CRAIPNDOSA-N 377.514 0.405 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760259566 NLAGRCMXNNBXFV-GJZGRUSLSA-N 381.427 0.961 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1760530251 MGTCKIIYUVXAOK-LZWOXQAQSA-N 390.444 0.033 30 10 GCEE CC[C@@H](C)c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761910324 BGLUZZVHHNTTFF-OPGVCCBYSA-N 387.444 0.254 30 10 GCEE 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0.922 30 10 GCEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccn(C)n1 1539161548 IDLYMESGPZJCFV-UHFFFAOYSA-N 388.439 0.966 30 10 GCEE C#CCN(c1nnc(CC)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539218689 CAWQTLWDDGCAQQ-HUUCEWRRSA-N 395.529 0.772 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1539232414 BRBDXZBMXMWRRU-UHFFFAOYSA-N 375.396 0.175 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCN(C)C1 1540198192 DKMVGNPASFMSNX-VQIMIIECSA-N 379.505 0.878 30 10 GCEE COCCOCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1555714805 JAIHWAXZYQJFJA-CQSZACIVSA-N 380.449 0.198 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1557095644 UCBYJOAYEFOPOS-KBPBESRZSA-N 395.456 0.573 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](O)(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1560193553 FQCZHAXISZIDMQ-XKQJLSEDSA-N 385.486 0.228 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccnc2c1nnn2C 1574240088 IWKFQNYLYXQAFP-NEBZKDRISA-N 382.424 0.263 30 10 GCEE 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CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(C#N)cc1F 481037131 LZNBUPUHKAAFFB-AWEZNQCLSA-N 389.474 0.931 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 481937389 KCNDAXVJRBPCRH-GXTWGEPZSA-N 399.494 0.118 30 10 GCEE CNC(=O)Cn1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 538986234 PWPYSISRNRMLCD-GFCCVEGCSA-N 383.416 0.033 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)n1 543034415 KKDXJPHLKZVYGW-JTQLQIEISA-N 386.799 0.670 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1 563429945 QDIKELQOJARCDW-SLEUVZQESA-N 387.483 0.316 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@]2(CCSC2)C1 574881633 UWWOCZJNHJRQPZ-DYVFJYSZSA-N 395.506 0.960 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C2(CO)CC2)c1 576958060 YFXUOSHAVXQNSZ-LBPRGKRZSA-N 387.483 0.365 30 10 GCEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3nn(C)c(C)c3C#N)ccc21 592648085 ZFUBUCVXCNIOOQ-UHFFFAOYSA-N 380.408 0.878 30 10 GCEE N#Cc1cccc2c1CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 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380.449 0.635 30 10 GCEE COC(=O)CN(CC#N)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 828269312 MTZVGUVRLOZUOO-KRWDZBQOSA-N 385.392 0.487 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)CCCCCCS(N)(=O)=O)CC2)n1 832198059 GFOXMOVFWDIEDG-UHFFFAOYSA-N 379.486 0.841 30 10 GCEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 837419222 QKXLBIHGHUYOKZ-CYBMUJFWSA-N 399.494 0.313 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@]1(C)CCC(=O)NC1 842424242 JXHYKLHEGJKOBR-PXAZEXFGSA-N 379.438 0.685 30 10 GCEE N#Cc1ccc(CC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 845157619 TVCDGUGCMXHETN-PSBWJHGTSA-N 396.399 0.766 30 10 GCEE CC(=O)N1CC[C@H](CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 846170972 NSDWJEVGSZXYSS-GXTWGEPZSA-N 392.481 0.488 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@]2(CCOC2)O1 846269472 LJXVQCHWUDAQRC-LIVBEALHSA-N 387.436 0.456 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 846334008 UBLANPVLLWWRHH-SFHVURJKSA-N 379.420 0.695 30 10 GCEE 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CC1(C)OB(c2ccc(S(=O)(=O)NC3(CCO)CNC3)s2)OC1(C)C 2267375385 GQQMWOIYRMMKLJ-UHFFFAOYSA-N 388.320 0.050 30 10 GCEE CC(C)S(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267530893 HTQHTAHSLUNQBR-UHFFFAOYSA-N 388.320 0.995 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC(C)(C)F 2267707400 QBUKYBVGLGDWOB-UHFFFAOYSA-N 376.263 0.531 30 10 GCEE CCO[C@H]1CNCC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281799225 SDWYEUZIJCEYPQ-OLZOCXBDSA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNC[C@H]3O)cc2Cl)OC1(C)C 2281815609 SCVJPOQVEVIOAD-SWLSCSKDSA-N 380.681 0.949 30 10 GCEE CO[C@@H]1C[C@H](O)CN(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C1 2281960042 TZGMBWYXWQEJLN-NWDGAFQWSA-N 382.291 0.973 30 10 GCEE CCNC(=O)[C@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282050508 BPUOXRJMFRWCIL-VIFPVBQESA-N 384.673 0.627 30 10 GCEE CN([C@@H](CN)C1CC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282504715 SOGUYKWCNGPRFC-ZDUSSCGKSA-N 384.311 0.077 30 10 GCEE CCS(=O)(=O)CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 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30 10 GCEE CNCC(C)(C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2288924824 UPIWLZCFCVADDF-UHFFFAOYSA-N 386.327 0.338 30 10 GCEE C#CC(CO)(CO)NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2290352862 BTRLNOCKRGLAOK-MRXNPFEDSA-N 376.453 0.985 30 10 GCEE Cn1cc(I)c([C@H](O)C#CC2(S(C)(=O)=O)CC2)n1 2319386134 RDMXUKRVKNADCB-SECBINFHSA-N 380.207 0.639 30 10 GCEE C#CCN(C(=O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2331096561 OHXRJDUJSPLLEQ-LJISPDSOSA-N 382.482 0.891 30 10 GCEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)C2)OC1(C)C 2335463203 YMKHIIQDUYAQMH-GMTAPVOTSA-N 375.252 0.473 30 10 GCEE COCCNS(=O)(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2365309032 RELHZUDFKWGWOE-UHFFFAOYSA-N 386.279 0.887 30 10 GCEE C[C@H](C#CC(=O)O)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1 2366821122 NBRMKIVNSYXJOD-CHWSQXEVSA-N 376.413 0.843 30 10 GCEE CC1(C)OB(c2cncnc2N2CC[C@H](S(=O)(=O)C(F)F)C2)OC1(C)C 2368557980 VTWKGCGNFGDXIS-JTQLQIEISA-N 389.233 0.992 30 10 GCEE 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CC#CCN(CC(=O)O)C(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 2362990619 FYIRVMWQMIZTAX-SFHVURJKSA-N 384.429 0.575 30 10 GCEE CC#CCN(CC(=O)N1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@@H]3O)[C@@H]2C1)C(=O)OC(C)(C)C 2363007526 KGLVCCFMCHJMMJ-QHNADIDASA-N 378.469 0.693 30 10 GCEE Cn1cc(S(=O)(=O)CCNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cn1 2367016865 PDDVZXNDELWEMW-QWHCGFSZSA-N 383.279 0.792 30 10 GCEE CN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)c1nn(C)cc1I 2367299211 XISXJETVFZWRGC-ODKJAPNWSA-N 387.221 0.542 30 10 GCEE Cn1c(N/N=C2/C(=O)Nc3ccc(Br)cc32)cc(=O)n(C)c1=O 5093492 KKVRLBKBXKGFEQ-UHFFFAOYSA-N 378.186 0.615 30 10 GCEE biogenic CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 24442669 BUSBFOPHJFFSQG-UHFFFAOYSA-N 385.449 0.824 30 10 GCEE C[C@H](C(=O)NCC1CCN(C(=O)CC#N)CC1)N1C(=O)c2ccccc2C1=O 219528027 VXBHKJIKPLIOFK-CYBMUJFWSA-N 382.420 0.940 30 10 GCEE CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 248401457 SEBURKVMPLLITN-HOTGVXAUSA-N 379.424 0.773 30 10 GCEE CC/N=C(/NC[C@H]1CN2CCN1CC2)NC1CCN(c2ccc(C)cn2)CC1 261839600 PAILDNXONAHJHP-IBGZPJMESA-N 385.560 0.914 30 10 GCEE CN(C)C(=O)CN/C(=N/C[C@H]1CCCCO1)N1CCS(=O)(=O)C(C)(C)C1 262341309 XDIYNHIPGHEYDH-CQSZACIVSA-N 388.534 0.098 30 10 GCEE COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCOC2=O)cc1 281846789 AZEBIJUJGQQCBJ-UHFFFAOYSA-N 382.442 0.840 30 10 GCEE COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1cccc(Br)c1C#N 287442254 QQPZLNVRCBPKJX-NSHDSACASA-N 391.243 0.912 30 10 GCEE CN(CC1(CO)CC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288590549 LVGZUYDRZRZRCB-INIZCTEOSA-N 384.436 0.006 30 10 GCEE C/C(O)=N/[C@H]1CCCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 329125341 MGMQWLQIKBRZPT-PMUMKWKESA-N 376.461 0.249 30 10 GCEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)N[C@](C)(C#N)C1CC1 365162037 HWKJEJRNJGPGIR-UYAOXDASSA-N 380.452 0.924 30 10 GCEE Cn1cc(S(=O)(=O)N2CCC(NCc3cnc4ccc(C#N)cn34)CC2)cn1 367048406 UVYDSTOYPBZWJJ-UHFFFAOYSA-N 399.480 0.882 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 367284250 BBAFOGMDHJGSMY-DOTOQJQBSA-N 389.477 0.729 30 10 GCEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 376516704 DSKWBIKELDWJAJ-VXGBXAGGSA-N 397.423 0.190 30 10 GCEE C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)n1cnc(C#N)n1 409585187 MSVXDEBXGZJBSL-JTQLQIEISA-N 382.833 0.459 30 10 GCEE CN(C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCN(C2CC2)C1 410499168 RDGZZUUGHJDTHZ-DLBZAZTESA-N 383.452 0.628 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)CCN1Cc1ccccc1 410587866 GBLJNNRAKUGNEE-RXVVDRJESA-N 398.463 0.241 30 10 GCEE COC[C@@H]1CCCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 411012867 NWABLXIUFILYEM-MRXNPFEDSA-N 385.468 0.877 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CCNC3)C2)CCN1Cc1ccccc1 423317374 AUFMCCKFBCLISB-DENIHFKCSA-N 395.507 0.825 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1 425632557 RGWNQBZGUOSXHQ-CQSZACIVSA-N 394.453 0.762 30 10 GCEE CC(=O)c1cn(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nn1 448844314 AHECIWWTDBSWRN-OAHLLOKOSA-N 384.421 0.893 30 10 GCEE COCCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 486440912 XHQQPZXUJAMOLB-SJORKVTESA-N 389.456 0.605 30 10 GCEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4c[nH]c(C#N)c4)CC3)C2=O)n(C)n1 507594030 VLJDNMWMZODLQE-QGZVFWFLSA-N 395.467 0.882 30 10 GCEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)CC2(C#N)CC2)CC1 528374040 UNCHXAUMMCWXHE-OAHLLOKOSA-N 378.498 0.771 30 10 GCEE C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC(=O)N1C 548817551 QSEACAHDYJISJD-SWLSCSKDSA-N 383.408 0.452 30 10 GCEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 554612293 ZOWCLCCJVVTUCV-HNNXBMFYSA-N 385.472 0.940 30 10 GCEE Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)ncc1C#N 569118731 QPZICGYVVGTRBL-HNNXBMFYSA-N 388.472 0.409 30 10 GCEE Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](OC(F)F)C3)CC2)c1C#N 578420187 DJEFFJJRSHHDCV-NSHDSACASA-N 399.423 0.812 30 10 GCEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)N1CCOCC1 586864005 HRQCCFKKYHPGNC-HNNXBMFYSA-N 376.388 0.067 30 10 GCEE N#Cc1cccnc1N1CCN(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 590571846 IJXHXTLSERMQJH-UHFFFAOYSA-N 383.437 0.804 30 10 GCEE CC(C)(C)OC(=O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCOCC1 592071691 PKBUGCOILIHJHP-CYBMUJFWSA-N 389.474 0.184 30 10 GCEE CN1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)S1(=O)=O 592585799 DLPAUFMKLSVDGM-INIZCTEOSA-N 390.465 0.769 30 10 GCEE N#Cc1sccc1S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 593576994 XEXZYNAEWUMFRV-UHFFFAOYSA-N 389.524 0.503 30 10 GCEE COC(=O)c1cn([C@H]2CCCN(C[C@H](O)CC3(C#N)CCOCC3)C2)nn1 599360390 LRPKWTOUCPYTGK-LSDHHAIUSA-N 377.445 0.773 30 10 GCEE COC[C@]1(C)CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 599575265 RYEKXXFSUQHCRX-KXBFYZLASA-N 388.424 0.197 30 10 GCEE CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1F 609217458 GNQQGIDVVFYYIR-UHFFFAOYSA-N 384.371 0.498 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CF)c2ccc(F)cc2)CC1 632373562 AMAMUAUZNOOMQL-INIZCTEOSA-N 394.422 0.399 30 10 GCEE C=CCn1cc(CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nn1 644956928 WYPDMVLMZMGAAZ-AWEZNQCLSA-N 390.469 0.727 30 10 GCEE C=CCOCCCNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 658619928 HFLLELANIFQKCJ-UHFFFAOYSA-N 395.481 0.870 30 10 GCEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 729330636 GSRXTMUQVYUVQD-AWEZNQCLSA-N 384.479 0.199 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn4c3CCCC4)CC2)o1 750637977 XUNHOAUPVLHSAW-UHFFFAOYSA-N 398.423 0.893 30 10 GCEE Cn1ncc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C1CC1 770718639 DKZDJWXJWPOIRL-UHFFFAOYSA-N 379.424 0.851 30 10 GCEE C#CCN(C(=O)COCCNC(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 783966051 KTAPEULYNKFBJF-INIZCTEOSA-N 378.450 0.082 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)CN(C)S(C)(=O)=O)cc1 786592076 GIHDHKJTYOTWNH-LBPRGKRZSA-N 388.467 0.035 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCC2CS(=O)(=O)C2)C1 786813547 QVATYBAKHGLTBA-OLZOCXBDSA-N 386.474 0.479 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)C(=O)[C@H](C)n2cccn2)n1 790109122 MGFMTROVTCUPGL-INIZCTEOSA-N 386.456 0.407 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)c1 791257192 GXKJCZQOWOMCFY-IRXDYDNUSA-N 379.457 0.856 30 10 GCEE CCOC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)NC(=O)N[C@H]1C 796251007 MTFCOKJSYWGCRY-ZDUSSCGKSA-N 384.440 0.594 30 10 GCEE C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)n1cnc(C#N)n1 798354374 LDOGAMJESRVUHN-AWEZNQCLSA-N 397.439 0.644 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCNc1ccc(C#N)cn1 799883135 QWZUOJRFLVPLFO-UONOGXRCSA-N 380.474 0.382 30 10 GCEE COc1cc(C#N)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 800407313 VDPBKWVTELBIGO-HJCJTDRUSA-N 384.413 0.699 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 800602480 RPJCMHUGNJFOBP-UHFFFAOYSA-N 395.481 0.522 30 10 GCEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(C)n1 805210499 QNODSGPVJXQHSU-CQSZACIVSA-N 390.469 0.729 30 10 GCEE CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)CC2 807296872 YPHQWULEMCESMK-MRXNPFEDSA-N 395.467 0.932 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCN(c2ncc(CC)s2)CC1)[C@H]1CCCO1 809307527 FDQLKSNWNDCSHL-LSDHHAIUSA-N 376.482 0.651 30 10 GCEE C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCS1(=O)=O 813137827 YZCKGRCUHBNMOJ-FRRDWIJNSA-N 386.474 0.574 30 10 GCEE C#CCN(CC(=O)N1CCCOC(C)(C)C1)CC(=O)N1CCCOC(C)(C)C1 820070699 JSRYLSFUOUANFX-UHFFFAOYSA-N 393.528 0.977 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@](C)(C(F)F)O1 826977494 IBOXYVTZYMXZLN-PIGZYNQJSA-N 381.383 0.752 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 831568800 SHLWTPNBEDCBGP-SFHVURJKSA-N 391.493 0.806 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CN(C3CC3)C(=O)O2)cc1 845092928 RCLHSYQKERMCRG-CQSZACIVSA-N 378.406 0.738 30 10 GCEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 850675897 BGEIPXVGYNLDRR-SFHVURJKSA-N 394.472 0.627 30 10 GCEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCOC)c1)C1CCOCC1 856115669 GVFVYWDRQYIYLC-QGZVFWFLSA-N 380.466 0.770 30 10 GCEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 859028784 SWMVHOBFVWVYCW-CQSZACIVSA-N 384.458 0.346 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 862199084 GAWUOZBKXHACNO-AWEZNQCLSA-N 393.465 0.529 30 10 GCEE N#CCN1CCC[C@@H](CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 863885958 QSLNYMYLWLECOC-KRWDZBQOSA-N 386.452 0.722 30 10 GCEE C=C(Cl)C[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)O 864183764 IAFUBDLYSKOGIY-ZDUSSCGKSA-N 398.847 0.972 30 10 GCEE C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 866441587 NYXXADNDNCVBJL-LBPRGKRZSA-N 380.445 0.671 30 10 GCEE C#CCNC(=O)C1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 866676764 KRYAAIUIQBQXHB-XMMPIXPASA-N 383.495 0.850 30 10 GCEE C#C[C@H](NC(=O)C(=O)NCc1ccc(CN2CCNC2=O)cc1)[C@H]1CCCO1 875325308 QLUVGGNYORTACT-DLBZAZTESA-N 384.436 0.125 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 875600981 FRKYHBIDTWHSGR-QGZVFWFLSA-N 382.464 0.967 30 10 GCEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cnn(CCF)c3)c2=O)CC1 901852484 NVFHBSWQPAAJAC-UHFFFAOYSA-N 386.456 0.369 30 10 GCEE C#C[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1cnn(C)c1 906552293 XXRCLKRRDXWEFU-HIFRSBDPSA-N 390.513 0.831 30 10 GCEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 909286428 VMKHHCRVGSFKCF-KGLIPLIRSA-N 382.490 0.434 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 912260435 MIAIQBGHKKYIJL-ZEVQVBBLSA-N 393.447 0.706 30 10 GCEE CN1CCc2ccc(S(=O)(=O)N3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 921829779 IIJNVVFAHNFODD-CJNGLKHVSA-N 381.479 0.238 30 10 GCEE C=CCOC[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)C(=O)OC 935777979 YVGKGGWGPLGTHO-LLVKDONJSA-N 391.346 0.835 30 10 GCEE N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CC[C@@](O)(C(F)F)C2)CC1 1117841728 PLWNBJCIPACPBS-IBGZPJMESA-N 392.406 0.825 30 10 GCEE C=CCn1c([C@H]2CC(=O)N(CC)C2)nnc1N1CC[C@](OC)(C(=O)OC)C1 1121546453 MUNNWCKMJFZRNT-SCLBCKFNSA-N 377.445 0.568 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 1128860957 BFKDOWLLIWNBDD-UHFFFAOYSA-N 384.392 0.798 30 10 GCEE N#Cc1cc(Br)ccc1C(=O)NCc1nnc2n1CCNC2=O 1133181133 YBVYIXLAVFRFMW-UHFFFAOYSA-N 375.186 0.586 30 10 GCEE 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379.490 0.825 30 10 GCEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1545755811 UACQOIOCNNYRKQ-WPCFGXOUSA-N 379.413 0.472 30 10 GCEE CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1560193610 GZZYIYSXIAYJHN-UVBSCNOISA-N 390.465 0.842 30 10 GCEE Cc1ccc2c(c1)nc(CNC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)n2C 1564744159 RIVDGOXZDVAQRY-UHFFFAOYSA-N 393.407 0.782 30 10 GCEE C#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1571667442 NLAMBCJNEDCYLD-LSTDLKDCSA-N 377.485 0.148 30 10 GCEE C=C[C@](C)(O)C(=O)N1CCC[C@@H](n2nncc2I)C1 1588403584 GNBVTQTUSIJYHB-SKDRFNHKSA-N 376.198 0.983 30 10 GCEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCC1 1588581006 CCMOQYNDPVVPDM-IBGZPJMESA-N 378.473 0.931 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nncn2CC)CC1 1588848727 MRRKHTQYFQLRJD-UHFFFAOYSA-N 391.483 0.679 30 10 GCEE C=CCOc1ccc(/C=C/C(=O)NC(C)(C)CNS(N)(=O)=O)cc1OC 1593936076 NMTYQKBCUWBEKF-VQHVLOKHSA-N 383.470 0.961 30 10 GCEE 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CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](O)([C@@H](N)C#CC1(S(C)(=O)=O)CC1)C2 2342062673 APSJBSBMYFBVMM-WZTLGTBRSA-N 384.498 0.655 30 10 GCEE CCO[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2359269208 MIXXWXIZCYIUHC-DGCLKSJQSA-N 381.307 0.878 30 10 GCEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H]3[C@@H]4CN[C@H]3C4)c2)OC1(C)C 2359283814 KPYMJRNLZOFCQB-CWRNSKLLSA-N 378.303 0.766 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N3CC([C@@H](O)CO)C3)c(Cl)c2)OC1(C)C 2361992586 INYGBGGCOMTZTE-ZDUSSCGKSA-N 382.653 0.459 30 10 GCEE CO[C@@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCSC1 2362351628 IAJQCHZCWLUCQE-QGZVFWFLSA-N 381.307 0.971 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2C[C@H]3COC[C@H]3O2)OC1(C)C 2362572099 WOEZHKHLELXSHS-GMXVVIOVSA-N 380.275 0.976 30 10 GCEE CC(C)(C)OC(=O)NCCn1cc([C@H](N)C#CC2(S(C)(=O)=O)CCC2)nn1 2367799524 BHJYXJGVNNEXRH-CYBMUJFWSA-N 397.501 0.773 30 10 GCEE C#CC(CO)(CO)N[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 2377346332 GXWZMKHGWTWSMG-WLHTULFXSA-N 386.420 0.266 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1 114943274 AWQOJCKWTRUSJG-OKZBNKHCSA-N 379.549 0.982 30 10 GCEE N#CC(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 255910383 FIJWLOFMPLEKND-GFCCVEGCSA-N 382.401 0.881 30 10 GCEE CN1C[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCC1=O 286946138 ITGAAKNOHHLOPP-SFHVURJKSA-N 397.479 0.330 30 10 GCEE CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 288236065 DLLLPEOPPKXCIF-ZIAGYGMSSA-N 380.445 0.674 30 10 GCEE CC(C)C(=O)N1CCC[C@@H]1/C(O)=N/[C@@H]1CC(=O)N(CCN2CCOCC2)C1 329766111 XSIMWRVDDVNIAJ-HZPDHXFCSA-N 380.489 0.523 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 368451076 UTYGHABQGARLON-HOCLYGCPSA-N 396.513 0.825 30 10 GCEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(OC)c1 409491699 NUKGOIKIZWKVNH-ZDUSSCGKSA-N 398.423 0.713 30 10 GCEE CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 411714849 ALEOSHYEXIMDTB-GXTWGEPZSA-N 389.799 0.866 30 10 GCEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCN(S(=O)(=O)N(C)C)CC1 411743269 IEOIEGWABSJKHR-MRXNPFEDSA-N 380.470 0.586 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1 425665715 TVMQVTUGHHEFJR-ZWNOBZJWSA-N 378.410 0.641 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(CC)CC)N1CCOCC1 425865033 OHZUNXRGVOKGOY-BZSNNMDCSA-N 381.517 0.947 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 460811356 VDDRIWYZMHOWRH-AWEZNQCLSA-N 396.473 0.812 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)NCC)C2)c1 471886051 FJWRROGBDDOJRQ-CQSZACIVSA-N 380.470 0.685 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([C@H](C)OC)c2)CC1 491079827 KAMSUHHPEVXVQK-HNNXBMFYSA-N 388.468 0.779 30 10 GCEE CSc1nc(O)c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C#N 506693707 HOAHQMVSLUSNIL-JOYOIKCWSA-N 384.483 0.828 30 10 GCEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 561141478 DRURTDJBWJLPQS-ZIAGYGMSSA-N 380.474 0.133 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 568256387 OTWLABNLGPAUFE-UHFFFAOYSA-N 386.499 0.157 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)c1 569500746 AKBXGJYRNRZXFV-MELADBBJSA-N 398.510 0.059 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(N(C)C)C2)c1 571582515 SSFJPPZTEMHGST-LBPRGKRZSA-N 386.499 0.154 30 10 GCEE N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 593171239 YNKHGGMNGVLQCS-KBPBESRZSA-N 378.226 0.979 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCc1nnc(C2CC2)n1C 593574559 ANRVXWJNUWKAER-UHFFFAOYSA-N 375.410 0.829 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](O)C2(C)C)c1 594629840 LLMQESIRLDOZDF-KBPBESRZSA-N 387.483 0.268 30 10 GCEE CO[C@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCOC1 594760575 QZVWLDDYZNJRID-OFQRWUPVSA-N 395.485 0.240 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)NCCc2cncc(C)n2)c(C#N)cn1CC 595186316 YSMYSGSMXVGHLU-UHFFFAOYSA-N 398.423 0.952 30 10 GCEE CC12CC(CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N)C2 595962822 ULKQFJLHTHTNMD-ROKHWSDSSA-N 393.556 0.461 30 10 GCEE C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C#N)CCCCC2)C(=O)N1c1cnn(C)c1 597313484 WNDLVZJAMFYTPK-DZGCQCFKSA-N 386.456 0.620 30 10 GCEE COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 597922180 JZTXRYRNMRTMKE-CXAGYDPISA-N 395.481 0.783 30 10 GCEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]12 598317841 ZYBLXKSXPAVIBQ-XHSDSOJGSA-N 378.450 0.986 30 10 GCEE COCCCn1nc(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)ccc1=O 598685862 UEUUBZLERRPCTH-UHFFFAOYSA-N 393.407 0.715 30 10 GCEE Cn1ncc2c(N3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)ncnc21 599255368 AAWXHFUAWSPCPV-OAHLLOKOSA-N 385.472 0.557 30 10 GCEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@@H](O)CC2(C#N)CCOCC2)C1 599279169 MNGOQDUTVBPXIQ-IRXDYDNUSA-N 395.500 0.791 30 10 GCEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCc2c(CC#N)cccc2C1 600780183 JTSIDKPXUXEOFW-CYBMUJFWSA-N 387.465 0.738 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCN1Cc1ccccc1 601346664 VLEBQJRDPWEMLI-MSOLQXFVSA-N 388.493 0.789 30 10 GCEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C(=O)N1c1cnn(C)c1 610269914 RNMGLJJIRAMUTD-BMIGLBTASA-N 377.401 0.903 30 10 GCEE C=CCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 618514660 NNJCHCZTRHDADU-UHFFFAOYSA-N 381.454 0.130 30 10 GCEE C=CCOCCCNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 658516450 IXQURRLLHDYRGD-CYBMUJFWSA-N 383.470 0.562 30 10 GCEE C=CC[C@]1(C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCCN1 662568060 AFBVYTSBLMHEFM-FZKQIMNGSA-N 394.497 0.736 30 10 GCEE CC(=O)NCCNC(=O)CCC(=O)NC1CCN(c2ccccc2C#N)CC1 749534579 YPHDXGKHEBYXBU-UHFFFAOYSA-N 385.468 0.676 30 10 GCEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1 751734347 RNCQWYZOWGRKAY-UHFFFAOYSA-N 375.406 0.773 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 764447734 CQSBDWSQFFNOHE-FNORWQNLSA-N 391.391 0.497 30 10 GCEE CCOC(=O)CON=C(C(=O)N(C)Cc1cnc(N(C)C)nc1)c1cc[nH]n1 772537962 OWAHAGVNKCXXJF-UHFFFAOYSA-N 389.416 0.208 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)n1 779842205 WNFCRPWHKVSPDZ-ZWKOTPCHSA-N 392.419 0.573 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 782422183 XMHGZRMZNTWDJV-CYBMUJFWSA-N 389.426 0.423 30 10 GCEE Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)cn1 787756875 SFLAITPIONDZQJ-OAHLLOKOSA-N 396.455 0.000 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN3CCCC[C@H]23)n1 790275917 OXAMCNZBJNHIMO-ZWKOTPCHSA-N 387.484 0.234 30 10 GCEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 796096794 HZDBBLLZARSJKM-MRXNPFEDSA-N 385.511 0.033 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)n1 800054816 JGATVOWKMHMLOK-HOCLYGCPSA-N 381.502 0.766 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1C#N 800197835 JPACEAKLZSPMQY-GWCFXTLKSA-N 375.447 0.694 30 10 GCEE C#CCCCS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 804966981 HTCWYFZVSRUYQI-UHFFFAOYSA-N 387.502 0.741 30 10 GCEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 818256757 FOCLMCUESFJOLZ-GJZGRUSLSA-N 382.486 0.445 30 10 GCEE C=CCc1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc(OC)c1OC 826546010 PVEILRFJDYUNSY-HXUWFJFHSA-N 390.436 0.790 30 10 GCEE COc1nccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 837581743 NVOYXGZCIKITRM-LLVKDONJSA-N 376.394 0.767 30 10 GCEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 841902354 UCPXKUDXVCNJLA-KRWDZBQOSA-N 390.509 0.250 30 10 GCEE CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 846265642 MZVUAXPSTGNAMK-OTWHNJEPSA-N 384.480 0.993 30 10 GCEE COC1([C@H](C)NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCOCC1 846740680 MEBOTTCRYMRMJU-YOEHRIQHSA-N 389.452 0.750 30 10 GCEE C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C(C)C)n1 848960318 BMNRKXUOFUVJAC-UHFFFAOYSA-N 391.519 0.664 30 10 GCEE C[C@@H](CC#N)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 851004868 TVRFMWGIYNRCSZ-VIFPVBQESA-N 393.874 0.945 30 10 GCEE C#CCN(C1CSC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 867721710 GSNOVGDVHLVDTP-UHFFFAOYSA-N 386.520 0.867 30 10 GCEE C#CCN(c1nnc(Cc2cc(C)[nH]n2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 871266411 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C=CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1120424762 AKKQGTXIPCRJCJ-OKILXGFUSA-N 394.449 0.683 30 10 GCEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1122518379 AZWYOGCBBFOLSE-MCIONIFRSA-N 378.429 0.757 30 10 GCEE C#C[C@H]1CCCCN1c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCCO1 1122828724 BIPBRLCALAROKN-GJZGRUSLSA-N 398.467 0.514 30 10 GCEE C#CCN1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C[C@@H]2CCOC2)CC1 1123121845 FPGSBYFHFBVIDY-LBPRGKRZSA-N 376.852 0.508 30 10 GCEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC(CN4CCN(C)CC4)C3)CC2)o1 1141386926 CJZUDDUULVFLHQ-UHFFFAOYSA-N 386.500 0.777 30 10 GCEE N#Cc1cn(CCNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(=O)nc1O 1148387310 FCFVGCGWVHHLGF-INIZCTEOSA-N 384.392 0.808 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286788231 SINUVSJPHTYESG-FXUDXRNXSA-N 375.473 0.945 30 10 GCEE COC(=O)[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H]1c1ccccc1 1289436204 JXOKISAIXJOKKQ-SAKMYQHLSA-N 388.445 0.730 30 10 GCEE 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379.482 0.922 30 10 GCEE CCN(OC)C(=O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 844068861 SUHSAKUUDGIZOR-CQSZACIVSA-N 387.396 0.289 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 847560730 JGMCGRGVQZNJQG-CQSZACIVSA-N 378.450 0.920 30 10 GCEE COC[C@H](CS(=O)(=O)NC(=O)CCc1c(C)nc(O)c(C#N)c1C)OC 853200573 MFTZSVUPUXWFOO-GFCCVEGCSA-N 385.442 0.316 30 10 GCEE CO[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCOC1 855206990 NBNDONCPZYAAFM-TZMCWYRMSA-N 381.454 0.283 30 10 GCEE C=C(CNC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)CNC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 856338140 AJOHYIQGIRIJTB-SYMSYNOKSA-N 394.468 0.954 30 10 GCEE CO[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 867802445 RUCADXTVEYBBPI-WMZOPIPTSA-N 386.452 0.375 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]4NCC[C@@H]43)CC2)c(F)c1 868422824 WNKRNBNMXVMIDC-AEFFLSMTSA-N 385.443 0.699 30 10 GCEE CNCCN(C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(C)C 903819386 HDTZSQSKDZVKJZ-UHFFFAOYSA-N 375.448 0.802 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(N3CCOCC3)C2)s1 911670101 YQGZFZVHGPBDSP-UHFFFAOYSA-N 385.511 0.298 30 10 GCEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 928659676 XEHBHQSRKWTKLM-HXUWFJFHSA-N 386.427 0.807 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1116722373 LGTYSNAHIUBXSC-HNNXBMFYSA-N 391.449 0.541 30 10 GCEE COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ncccc1S(C)(=O)=O 1116831049 IFRAPXCJDPHKDF-UHFFFAOYSA-N 388.405 0.620 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1117283838 BKDJDTXTXZZQOJ-TZMCWYRMSA-N 380.491 0.891 30 10 GCEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)CCO2)c1 1117939142 UVXSXJKZBBKHIF-PXNSSMCTSA-N 385.420 0.476 30 10 GCEE CCc1noc(C[C@]2(O)CCCN(C(=O)C(=O)N3CCC[C@H](CC#N)C3)C2)n1 1118896779 CRAVPJOAEXIPMO-AUUYWEPGSA-N 389.456 0.680 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 1120351998 WEAMGJZMWNMSDW-OWCLPIDISA-N 376.453 0.673 30 10 GCEE 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CC(C)NS(=O)(=O)NCCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C 428433826 DRHAQFIGGXHCHN-MRXNPFEDSA-N 382.486 0.910 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 437777623 TZVBKDJCOVHGDH-UHFFFAOYSA-N 390.440 0.690 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2csc([C@@H](C)OC)n2)CC1 439630183 BNACKMFSLOIWIN-CYBMUJFWSA-N 381.502 0.980 30 10 GCEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 450129066 RITBBFTXQPUSTP-UHFFFAOYSA-N 382.417 0.079 30 10 GCEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 460382472 AHOGUYPFRAGBSL-ZIAGYGMSSA-N 385.490 0.412 30 10 GCEE N#CC1(NC(=O)CCCN2C(=O)CNC2=O)CCN(Cc2ccccc2)CC1 482607454 UEZDTIORELVVKW-UHFFFAOYSA-N 383.452 0.993 30 10 GCEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)COc1ccc(C#N)cc1OC 488331499 RBWRIXWIMPBWKN-NEPJUHHUSA-N 377.397 0.518 30 10 GCEE CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 510680228 FQIDLLFKQAQVTO-UHFFFAOYSA-N 382.417 0.970 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](S(=O)(=O)NCC)C3)cc2C1=O 538923300 YFWNSCGDKBIPDL-ZDUSSCGKSA-N 391.449 0.622 30 10 GCEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C(C)C 550839109 QRILMQWCZQIRDX-UTKZUKDTSA-N 390.528 0.930 30 10 GCEE CC(C)(C)N1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 560300426 SKAIGWSLKAPBCL-UHFFFAOYSA-N 398.511 0.981 30 10 GCEE CN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 566488086 MVRSNUQJMWJMQK-ZDUSSCGKSA-N 387.483 0.678 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCNCCCN2CCC[C@@H](C(N)=O)C2)c1 568618109 JNJPKNWQKISWIG-MRXNPFEDSA-N 378.498 0.509 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1sccc1C#N 580174720 HXNNEPNOWCULHL-WYUUTHIRSA-N 391.405 0.510 30 10 GCEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(=O)O 581195841 QXMLWZDWZDOHJX-LBPRGKRZSA-N 382.442 0.981 30 10 GCEE CO[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1 584730116 JSCIFECRJBGDHA-SDDRHHMPSA-N 375.472 0.579 30 10 GCEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc(C#N)ccn3)cn2)CC1 588362262 MFOCJPLWHVYTKK-UHFFFAOYSA-N 386.437 0.682 30 10 GCEE Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cnn3ccccc23)c1=O 588524397 QWMIGNXXBOEPLG-LBPRGKRZSA-N 380.429 0.203 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1 590978587 ZPOJQCVFOSXPAS-UHFFFAOYSA-N 391.431 0.892 30 10 GCEE COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 599477246 VHEANMLBQKKEIQ-UHFFFAOYSA-N 381.454 0.835 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 600763282 LDCCANLIULYWHQ-DETPVDSQSA-N 399.494 0.723 30 10 GCEE CN1CCO[C@@H](CS(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 601346026 KWCBNOKCEYHKJN-QZTJIDSGSA-N 378.498 0.357 30 10 GCEE C=CCOCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 618517459 KYVJSNAPBOTQJF-UHFFFAOYSA-N 384.454 0.835 30 10 GCEE C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[C@H](CS(=O)(=O)NC)C1 624831843 YICFQIDJNLIUBJ-ZDUSSCGKSA-N 394.505 0.334 30 10 GCEE C=CCn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)nn1 648722331 OTCHJSQDCIDIMO-UHFFFAOYSA-N 397.482 0.477 30 10 GCEE Cn1nnc(Br)c1S(=O)(=O)NCB1OC(C)(C)C(C)(C)O1 702510695 OCYPUCFSERGQCY-UHFFFAOYSA-N 381.061 0.487 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccnn3CC3CC3)CC2)n1 761097742 XVFKAIZFTXDDEF-UHFFFAOYSA-N 379.424 0.847 30 10 GCEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OC(=O)c1ccc(F)cc1 765594421 SZJVLWGIAQEYDW-UHFFFAOYSA-N 384.323 0.989 30 10 GCEE O=C1C[C@@H](c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CN1 772241089 FLRURJQGSTYQIO-CYBMUJFWSA-N 398.444 0.967 30 10 GCEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 775970811 FMLZROZQWMISIV-OFPIOHJSSA-N 379.413 0.472 30 10 GCEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC)[C@@H]1CCS(=O)(=O)C1 812023999 NCLKKUNOJCQGST-CYBMUJFWSA-N 388.453 0.572 30 10 GCEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCN(O)C3=O)C2)s1 816693923 VODXKRIDSKWQNL-NWDGAFQWSA-N 387.483 0.564 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 828749117 FVOVZIBSIPVSNN-VXGBXAGGSA-N 383.392 0.098 30 10 GCEE C#CCN1CCN(c2nnc(C3(OC)CCOCC3)n2C[C@H]2CCCO2)CC1 829614904 KXRDXIIRVYSRMV-QGZVFWFLSA-N 389.500 0.864 30 10 GCEE C#CCN1CCC(NC(=O)C(C)(CC)C(=O)NC2CCN(CC#C)CC2)CC1 830168041 CWEFQIGWMCEIFC-UHFFFAOYSA-N 386.540 0.830 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 831568258 CKHUNLXBLZKKHM-UHFFFAOYSA-N 388.449 0.875 30 10 GCEE O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 844241818 KLNIMBGQKJOXBW-KGYLQXTDSA-N 377.422 0.579 30 10 GCEE C#CCN(C(=O)C(=O)Nc1sc(C)cc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 845932445 UBJAAFVBEZEUFH-LLVKDONJSA-N 398.462 0.431 30 10 GCEE CCON(C)C(=O)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 846135400 SZFHWIACEZWQFS-UHFFFAOYSA-N 398.423 0.825 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]23CNC[C@H]2COC3)cc1 846668402 MEAFKLPXAVSNSW-KYYXLKNOSA-N 392.481 0.674 30 10 GCEE CN1CCN(C)[C@H](CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 847482120 GWPBYRZBTHVDSP-QGZVFWFLSA-N 378.517 0.999 30 10 GCEE CCN1C[C@H](COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)OC1=O 848681973 XUGZOVXBRSUAHK-LLVKDONJSA-N 381.410 0.499 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CCc3nnnn3CC2)cc1 851421559 WTVHEIAWFAWRTB-ZDUSSCGKSA-N 391.453 0.947 30 10 GCEE C#C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CCOCC1 851973626 GNTSLLGNPLRLCV-GOSISDBHSA-N 398.463 0.486 30 10 GCEE C#CCOc1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 858519349 ZZPIPWLPNMFHBP-UHFFFAOYSA-N 379.376 0.599 30 10 GCEE C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 862190083 JTQVSCRPMDJHFV-MRXNPFEDSA-N 382.420 0.775 30 10 GCEE C#C[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1)[C@H]1CCCO1 875326270 YAOJDCHYNJSQRX-SLFFLAALSA-N 399.491 0.609 30 10 GCEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1 875386475 ORKYKODGZCGEQB-MLHJIOFPSA-N 380.533 0.282 30 10 GCEE C=CC(C)(C)CCCNC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 885095870 BZRKRHXITYBWGL-UHFFFAOYSA-N 379.505 0.264 30 10 GCEE C#CCN(C(=O)c1nn2c(c1Br)CCC2)[C@@H]1CCS(=O)(=O)C1 888862354 COKKODAVVSTZRR-SNVBAGLBSA-N 386.271 0.854 30 10 GCEE C#CCO[C@@H](C)C(=O)OCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 893537431 ZMZLWYWWWNJNOY-UONOGXRCSA-N 389.470 0.992 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 895051477 HSWNGRYJMCOFAP-IRXDYDNUSA-N 376.482 0.585 30 10 GCEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](N2CCC2)C1 912925429 JRIIDRNNBVEXMX-CQSZACIVSA-N 376.482 0.812 30 10 GCEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 928659480 NXMZVNGHFKQIDK-UHFFFAOYSA-N 379.482 0.439 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)C1CCN(C)CC1 931269718 QXDPSEBMOCXDSA-KALAIVBUSA-N 391.512 0.631 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1116977844 UIAWLPHGOMELOP-OAHLLOKOSA-N 387.461 0.476 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1117018000 YBNQQIKGQMJHRC-NVXWUHKLSA-N 391.493 0.276 30 10 GCEE COC(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 1117834158 DEOGSEZFBDCEDB-KRWDZBQOSA-N 386.452 0.470 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCC(N2CCNC2=O)CC1 1119015541 OUHHPVYHPBJJTD-UHFFFAOYSA-N 383.452 0.575 30 10 GCEE C=CCn1c(-c2nccs2)nnc1N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1121514339 BCRFWMCQCHGFMG-QWRGUYRKSA-N 377.426 0.986 30 10 GCEE C=C(C)Cn1c(N2CCO[C@@](C)(C(=O)OCC)C2)nnc1[C@@](C)(O)COC 1122615236 LPPODOAYDARFOO-ZWKOTPCHSA-N 382.461 0.867 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)cc1 1159128872 XOOMQRFMTGVKHT-OAHLLOKOSA-N 387.465 0.746 30 10 GCEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CC#N)C(F)(F)F 1178330507 YHBPGHIOOAOEJH-OYNCUSHFSA-N 385.389 0.737 30 10 GCEE CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC2(CC1)OCCO2 1256047297 FTXOTRHYWAXUFX-WMLDXEAASA-N 397.497 0.890 30 10 GCEE CO[C@]1(CO)CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1261659542 OYZYTVRASJCHDR-QWQRMKEZSA-N 382.461 0.928 30 10 GCEE C#CCCN(CCOC)c1nnc(-c2cnc(CO)cn2)n1C[C@@H]1CCCO1 1263464056 RFUSDQYBPXTTAU-INIZCTEOSA-N 386.456 0.883 30 10 GCEE C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1282775963 DZGFTILFZSPIGP-YUELXQCFSA-N 382.424 0.123 30 10 GCEE C#CCN(c1nnc(C2CC2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300491844 IYBMBNXJJWITPA-KSSFIOAISA-N 391.497 0.261 30 10 GCEE C#CCN1CCN(c2nnc(C)n2CCNC(=O)c2cccc(OC)c2)CC1 1300685034 DRMLLJAXTSGRCD-UHFFFAOYSA-N 382.468 0.780 30 10 GCEE COCCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1301613995 UGNZWQNGHOBRMU-DLBZAZTESA-N 392.504 0.869 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1323442477 UJPOCUUNQASNMV-KRWDZBQOSA-N 376.478 0.611 30 10 GCEE CCS(=O)(=O)c1cccc(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1323944456 HZWAKQJDVNCDIF-ISLYRVAYSA-N 391.449 0.665 30 10 GCEE C=CCn1c(Cc2noc([C@H](OC)[C@H]3CCOC3)n2)nnc1N1CCOCC1 1327739163 FEYVKYKCZNAQCH-XJKSGUPXSA-N 390.444 0.999 30 10 GCEE COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)N3Cc4cccc(C#N)c4C3)C2)nn1 1329725902 LFNLXKYWBASYAE-AWEZNQCLSA-N 394.391 0.252 30 10 GCEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1330798027 YKYXAPLRBJUAFB-CABCVRRESA-N 393.513 0.961 30 10 GCEE COc1ccc(CNC(=O)C(=O)NCC[S@@](=O)CC(F)(F)F)cc1C#N 1333819678 SNGLZXGGTZFQFV-AREMUKBSSA-N 391.371 0.610 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 1335966407 JATBQAYKJGIQRH-HUUCEWRRSA-N 380.489 0.872 30 10 GCEE C#CCC1(O)CCN(C(=O)CSCC(=O)N2CCC(O)(CC#C)CC2)CC1 1336931296 WDTVGDMGUDTZOF-UHFFFAOYSA-N 392.521 0.473 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCC(N2CCCNC2=O)CC1 1340374186 BSHJAZAEMIPYMV-HOTGVXAUSA-N 389.504 0.586 30 10 GCEE C=CCn1c(N(CCOC)CC2CCN(C)CC2)nnc1[C@@]1(O)CCOC1 1340625340 ZZGYUXSZXHXBDX-LJQANCHMSA-N 379.505 0.867 30 10 GCEE C=CCn1c([C@@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)nnc1N1CCN(C(=O)COC)CC1 1340714724 CENVVTZGIIVEFY-KLHDSHLOSA-N 375.473 0.634 30 10 GCEE C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCO[C@]2(CCSC2)C1 1340727903 APMVASCLAJRWDV-OAHLLOKOSA-N 387.531 0.616 30 10 GCEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)Cc1cccc(OCC#N)c1 1343535388 VGWAMLNRXCRZPU-UHFFFAOYSA-N 395.418 0.880 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 1345214290 NPAOJLGOVDWLSZ-GJZGRUSLSA-N 377.466 0.098 30 10 GCEE 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C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2ncn(C)n2)s1 1638985991 QWFRFAYMPHOLPV-UHFFFAOYSA-N 383.499 0.632 30 10 GCEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C2 1640374767 MCBBAWBIDHBWAO-BLLLJJGKSA-N 382.424 0.725 30 10 GCEE C#CC1(O)CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 1641976431 IREDDKYBGUUSQV-UHFFFAOYSA-N 379.376 0.689 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1643893707 XHKAUDUJVSWDCD-HOTGVXAUSA-N 395.423 0.609 30 10 GCEE N#CC1(C[C@H](O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CCOCC1 1644168634 VUFSDLCAOKXDOE-IRXDYDNUSA-N 385.530 0.253 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NCCC[C@@H]2C=NNC2=O)ccc1F 1647858787 KOGUOMHJOZGYHX-GFCCVEGCSA-N 382.417 0.532 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)CC2=O)cc1 1650785605 JOWFUVXFMUYZSZ-QGPMSJSTSA-N 382.420 0.417 30 10 GCEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)c1 1653697745 CXIVLXDFMAKACU-UHFFFAOYSA-N 399.428 0.707 30 10 GCEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C#N)C1 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381.502 0.682 30 10 GCEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1705542227 ATUDJXBZAJFNOP-SNRMKQJTSA-N 378.473 0.928 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1705884116 GTHSWYFOGNKDMD-OWCLPIDISA-N 393.488 0.920 30 10 GCEE C#CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722339494 VEVRTFSWGYAIGB-CRAIPNDOSA-N 396.513 0.967 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1722412570 BAVPSLHSPBTZTK-CQSZACIVSA-N 377.474 0.322 30 10 GCEE C#CCN1CCN(c2nnc(C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1722431517 PYCSDULGYKIJJC-UHFFFAOYSA-N 385.468 0.770 30 10 GCEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNS(=O)(=O)CC)CC1 1722559000 HEQMBBXTYQVSOB-UHFFFAOYSA-N 398.533 0.902 30 10 GCEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 1722566832 ZZIDJQLKKAFDOU-GJZGRUSLSA-N 382.486 0.752 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COC 1740657862 ZYNWXKVURXRJIS-HOTGVXAUSA-N 378.498 0.926 30 10 GCEE 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0.599 30 10 GCEE CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 842689637 CDEDHIBQUROXKL-KBPBESRZSA-N 393.421 0.545 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 843255848 UDYGZOOQDYSMMR-PKOBYXMFSA-N 396.491 0.619 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2CCNC(=O)C2)CC1 847698779 HDKJCFFENFKYTC-UHFFFAOYSA-N 378.473 0.185 30 10 GCEE C#C[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1 848287828 ZIJKTPIOPHZJAM-CYBMUJFWSA-N 376.434 0.963 30 10 GCEE C[C@@H]1COCCN(S(=O)(=O)c2cccc(S(=O)(=O)N[C@@H](C)C#N)c2)C1 848953862 SUDABFMGYZMVPE-STQMWFEESA-N 387.483 0.534 30 10 GCEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1)C1CCOCC1 851827621 OIQNBVFRYGZANV-AWEZNQCLSA-N 382.438 0.478 30 10 GCEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C#CC2CCNCC2)c1 852832426 MNDJCAFCECEPHM-ZDUSSCGKSA-N 392.481 0.041 30 10 GCEE O=C(C#CC1CCNCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 852885755 TTZQOMLLPSOIRL-GOSISDBHSA-N 398.511 0.401 30 10 GCEE C#C[C@@H](NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C1CCOCC1 853637144 OJMPMDGCSBNDNM-OXQOHEQNSA-N 384.436 0.969 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 859429720 HTMPCZGTURFFLZ-AWEZNQCLSA-N 386.495 0.788 30 10 GCEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 863414592 AWSUOZRWSSEBPW-HNNXBMFYSA-N 398.506 0.741 30 10 GCEE C#CC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 863793698 GNUFEGFCTZVKEE-HOTGVXAUSA-N 380.466 0.912 30 10 GCEE C#CCN1C(=O)C[C@@H](N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1=O 864350093 CWBFBOKQZHXJSL-MRXNPFEDSA-N 386.452 0.979 30 10 GCEE C#CCN(CC(=O)N[C@]12CCC[C@H]1OCC2)CC(=O)N[C@]12CCC[C@H]1OCC2 872286058 SOPSXGZYBKGFFR-JYWFKMLOSA-N 389.496 0.577 30 10 GCEE C#CCNC(=O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 872302143 QBLXNTIBPAAIBK-ZNMIVQPWSA-N 392.456 0.250 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C 875605565 YSBZSCOKFIJWGP-LSDHHAIUSA-N 381.473 0.999 30 10 GCEE 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CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2367830555 JSVDNLCUMIXZEJ-HRLGVUPISA-N 398.525 0.915 30 10 GCEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CC[C@H]2S(C)(=O)=O)OC1(C)C 2368615760 BVOLOXGTAVGLNB-UONOGXRCSA-N 380.275 0.686 30 10 GCEE CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]31[C@@H]24 4097779 VLYMLZRDCSQUQF-RZUZYEBMSA-N 378.421 0.166 30 10 GCEE biogenic,in-vitro Cc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc2c(C#N)cnn2C)cc1 16893311 ZEFXQYHOQZIFBP-LBPRGKRZSA-N 389.437 0.981 30 10 GCEE N#CCCNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1Br 147458938 OXEAQLMHAWFMQR-UHFFFAOYSA-N 380.195 0.644 30 10 GCEE CC(C)N1C[C@H](C)[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 150801767 VORHTRODJNQONU-YOEHRIQHSA-N 395.467 0.981 30 10 GCEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 255691033 XNIZJEDAHBTNHH-UHFFFAOYSA-N 380.473 0.577 30 10 GCEE N#CCOc1cccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 268570094 QZIRCBFAYTVBJV-UHFFFAOYSA-N 387.440 0.597 30 10 GCEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H](O)C2)CC1 295729808 VVEHVIONNJSYJB-MSOLQXFVSA-N 376.432 0.228 30 10 GCEE Cn1ccnc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)N[C@H]1CCCn2ncnc21 329901702 HDBOZBUWTZBZNP-IHRRRGAJSA-N 376.440 0.963 30 10 GCEE CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 363869259 YKDACCAAKZCMGM-UHFFFAOYSA-N 394.439 0.771 30 10 GCEE CS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc([N+](=O)[O-])c1 370974133 RULCOUQOIYMOCN-CQSZACIVSA-N 378.410 0.811 30 10 GCEE C=CCCN(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 410971637 BYQDNMOUAHOMLF-UHFFFAOYSA-N 377.466 0.624 30 10 GCEE CCN[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 418592809 QKICERZBBRKVAO-CQSZACIVSA-N 379.486 0.572 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN3CCC2CC3)c(C#N)cn1CC 421218207 LKMJIAANKPIYNK-UHFFFAOYSA-N 387.440 0.801 30 10 GCEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508461582 NMPAHVLETGYQOG-OAHLLOKOSA-N 399.455 0.373 30 10 GCEE Cc1c[nH]cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 512591015 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C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)C3CC3)c2)C[C@H]1O 594631477 NJAFXXWNHHQFSV-BLLLJJGKSA-N 399.494 0.365 30 10 GCEE Cn1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CC(CC#N)C2)n1 595960540 VWPDKLBCJQDOHI-UHFFFAOYSA-N 395.466 0.755 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OCC(C)C)ncn2)CC1 640503013 NGFSKIFVLAFRLV-UHFFFAOYSA-N 376.461 0.963 30 10 GCEE C=CCOCCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 658615246 UGESEJUMGQOCDU-UHFFFAOYSA-N 375.425 0.806 30 10 GCEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669805996 DUWPOWFIFUXHNW-HNNXBMFYSA-N 376.486 0.968 30 10 GCEE C#CCN(C(=O)c1cc(S(=O)(=O)NCC)ccc1C)[C@H]1CCS(=O)(=O)C1 729330595 BLDLVCXYIPUUTI-AWEZNQCLSA-N 398.506 0.556 30 10 GCEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cn1 735069063 PCOWTAASAUYFDI-UHFFFAOYSA-N 383.477 0.633 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F 783350876 RFTUMEISZIWTQO-UHFFFAOYSA-N 389.380 0.579 30 10 GCEE CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)Cc1ccc(C#N)cc1F 790861407 FHYOVQVOYNCEAY-CYBMUJFWSA-N 378.472 0.947 30 10 GCEE Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2cc(F)ccc21 796712481 KBOMTBUOWFTAHV-ZDUSSCGKSA-N 377.397 0.897 30 10 GCEE C[C@@H](C(=O)OCc1ccc(S(=O)(=O)N2CCCC2)o1)n1cnc(C#N)n1 798744237 IYOGXXSINWOJHI-NSHDSACASA-N 379.398 0.832 30 10 GCEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802679145 LBXCYDBGHQCVAH-HIFRSBDPSA-N 395.533 0.721 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(CC=C)CC2)n1 804891791 RIHKWOSSINOUCY-UHFFFAOYSA-N 387.484 0.258 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 807013834 HVSNBEBZJHLFDM-HOTGVXAUSA-N 379.416 0.117 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC 812197812 QKMADTRVGOQZMQ-LSDHHAIUSA-N 399.517 0.496 30 10 GCEE C=CC1(CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 823904789 UCQILVRRQDUCIO-CYBMUJFWSA-N 387.502 0.950 30 10 GCEE COCCCn1nc(C(=O)OCC(=O)N(CC#N)c2ccccc2)ccc1=O 849853652 YOCFMRPJERBGKP-UHFFFAOYSA-N 384.392 0.993 30 10 GCEE C#C[C@H](NC(=O)NCCCN1CCN(c2ncccn2)CC1)C1CCOCC1 851934215 GOEDSNDPZIVGMW-SFHVURJKSA-N 386.500 0.716 30 10 GCEE C#C[C@@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)C1CCOCC1 852641152 NBEUAVPDZRQUKT-WMLDXEAASA-N 383.514 0.918 30 10 GCEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CCOCC1 852643372 CMRAISRCUQNWQW-MRXNPFEDSA-N 396.469 0.260 30 10 GCEE C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855971188 WRHNAOYTBKQSIT-NOZJJQNGSA-N 391.371 0.903 30 10 GCEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CCOCC1 856112288 HMLSRMMLRHRRLW-QGZVFWFLSA-N 378.450 0.540 30 10 GCEE C#CC[C@H](COC)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 858606564 DGYMGFIVWUPDPZ-MRXNPFEDSA-N 379.482 0.759 30 10 GCEE C#C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCCO1 860942112 FNSGXLDMCCDWGX-SOUVJXGZSA-N 379.457 0.751 30 10 GCEE C=C[C@@](C)(O)c1cn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)nn1 881068025 OJHLDBMOVLEIMV-QGZVFWFLSA-N 375.454 0.718 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 884470565 SMFHHGPIHATUJV-ROUUACIJSA-N 375.469 0.759 30 10 GCEE C#CCN(C(=O)Nc1cc(N(C)C)n2nc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 889039728 MIRMOFAYKJQXSK-CYBMUJFWSA-N 390.469 0.758 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nc(Br)nn1C 894093700 HOYACMFUOVCUIA-JTQLQIEISA-N 377.250 0.950 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@]23CCCO3)n1 898464450 DXCAZNREPACJGW-XLIONFOSSA-N 388.468 0.709 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)CC1 905525281 DJBLNSBKHFBMSN-UHFFFAOYSA-N 385.464 0.936 30 10 GCEE C#CCN(C(=O)C(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1)C1CCN(C)CC1 910886988 OTDFBORPTZJRQK-RBUKOAKNSA-N 375.513 0.942 30 10 GCEE C#CCNC(=O)CCN1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@]2(C(=O)OC)C1 931953311 ZEKXEPNYMKXAOS-MDOVXXIYSA-N 393.484 0.904 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 1119120172 AFSFJAFAONFNQY-LSDHHAIUSA-N 383.514 0.036 30 10 GCEE C=CC[C@H]1CCN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 1119144686 IAOLYIKEBVBCRV-NSHDSACASA-N 397.419 0.841 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC1 1120383292 RLHOVNUWAAWQOI-STQMWFEESA-N 376.375 0.932 30 10 GCEE C=CCn1c(C2CCN(S(N)(=O)=O)CC2)nnc1N1C[C@H]2CSC[C@H]2C1 1121585616 YJUQDPVSWBBVNQ-OKILXGFUSA-N 398.558 0.646 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn4cccnc34)n2C[C@@H]2CCCO2)CC1 1122817131 HFDJCCDKSFKCCC-INIZCTEOSA-N 392.467 0.922 30 10 GCEE CCS(=O)(=O)CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1129734810 YQMQUBKIGGRNOT-UHFFFAOYSA-N 387.483 0.433 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCOc1ncccn1 1143882956 ZXTXUESALGFWCL-ZDUSSCGKSA-N 389.437 0.600 30 10 GCEE C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1256139269 GCJOEKMIQNMIRK-HLAUDOPJSA-N 376.457 0.615 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)CC1 1261872780 ZUHMPCYVSALMNA-UHFFFAOYSA-N 379.367 0.094 30 10 GCEE C#CCN(CC#CC)C(=O)C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 1262332516 CCFHHQJEFPLLIP-UHFFFAOYSA-N 387.461 0.692 30 10 GCEE C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1262973531 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CCn1ccnc1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330175 WAEBRVXCUCVUQF-UHFFFAOYSA-N 381.267 0.737 30 10 GCEE CON(C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282332221 XVRFZZHPRWCSJG-UHFFFAOYSA-N 382.291 0.852 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCCc3nc[nH]n3)cc2)OC1(C)C 2282338899 QOXAAUZDRUCHHT-UHFFFAOYSA-N 378.263 0.625 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1=O 2282340460 GHDFKMFHWHDWTJ-QWRGUYRKSA-N 381.263 0.276 30 10 GCEE CO[C@@H]1C=C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282351211 XWOTZZLXLLZVBO-NWDGAFQWSA-N 383.279 0.341 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CO 2282419166 SUVPHIJNBQXZDK-GFCCVEGCSA-N 385.291 0.901 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2COC3CC2C3)n1 2282491745 OUSHNKWOOHNRPB-GCZXYKMCSA-N 383.279 0.175 30 10 GCEE C=C(CS(=O)(=O)NC[C@@H]1NC[C@H](OC)[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2282496122 WDZOFNYUQODSAM-IHRRRGAJSA-N 390.311 0.095 30 10 GCEE C[C@H]1COC[C@@H](C)N1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503664 DCHCXKGEPVPCKW-TXEJJXNPSA-N 385.295 0.517 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)N3CCNC(=O)C3)ccc2F)OC1(C)C 2282506725 WOYXOOQLLSNMDV-UHFFFAOYSA-N 384.238 0.245 30 10 GCEE CCn1cc(C(=O)NC[C@H]2CCS2(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2282540091 DUUAGUCOZBCFCV-LLVKDONJSA-N 383.279 0.119 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@H]3C[C@H]2[C@H](O)[C@H]3O)OC1(C)C 2282607992 OYZZJZKWCPFUTH-BQUFFADESA-N 380.275 0.399 30 10 GCEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282664377 BUROZDSESJLSAY-GFCCVEGCSA-N 382.291 0.934 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H]3CN)c(F)c2)OC1(C)C 2282831069 DVCRAEWOEKTNHX-NWDGAFQWSA-N 384.282 0.998 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](CC#N)C1 2282839798 ALBXJLPTNCKFFN-NSHDSACASA-N 381.267 0.039 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]1C(F)(F)F 2282840060 CTLSSPGRKZIQKH-QMMMGPOBSA-N 396.200 0.440 30 10 GCEE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282850592 QVEKXIBBHKORIO-LLVKDONJSA-N 383.279 0.184 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N[C@@H]2CCN(CC(=O)O)C2)OC1(C)C 2284482675 KCCVGJNWFWXIOP-LLVKDONJSA-N 380.275 0.936 30 10 GCEE C#CC(CO)(CO)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2290357243 QAKSCQRRWGZUNM-UHFFFAOYSA-N 379.649 0.726 30 10 GCEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2302967877 PCKKZZLPABGWFY-HNAYVOBHSA-N 391.445 0.956 30 10 GCEE Cn1ncc([C@H](O)C#CC2(S(C)(=O)=O)CC2)c1I 2319345447 PZYDGFUQXHOAPO-SECBINFHSA-N 380.207 0.639 30 10 GCEE C=CC[C@H](NC(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2326739001 CXXFFEGEMSFGNZ-JTQLQIEISA-N 376.431 0.166 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3N)OC1(C)C 2334275257 HFNCGNYCKUXGTO-RWMBFGLXSA-N 384.332 0.909 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)nn1 2342051024 JIATYEKGDFHPQP-ZDUSSCGKSA-N 384.458 0.244 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H]3C=C[C@@H]2C3)n1 2359282004 ZGVGKOXJFHLLMV-OUCADQQQSA-N 379.291 0.962 30 10 GCEE CN1CCO[C@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2362570334 WVSIYNIZDFWXMV-STQMWFEESA-N 379.291 0.597 30 10 GCEE COCCn1cc(C#C[C@H](O)c2cnn(C)c2I)cn1 2366007082 FFWCLOMOVDWNML-LBPRGKRZSA-N 386.193 0.953 30 10 GCEE CN[C@@H](C#Cc1ccnn1C)C1(O)CC(COC)(NC(=O)OC(C)(C)C)C1 2367749959 IHLAADGALCTAOV-MNNVXMFVSA-N 378.473 0.794 30 10 GCEE Cc1scc(C(=O)N2CC3(CNC(=O)N3)C2)c1B1OC(C)(C)C(C)(C)O1 2369498116 KFQBSAFIANTLGR-UHFFFAOYSA-N 377.275 0.863 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NCCc2c(F)cccc2F)CC1 52305146 SGARYJYHVAWIDW-UHFFFAOYSA-N 380.439 0.543 30 10 GCEE C#CCN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[C@H]1CCS(=O)(=O)C1 127831716 OBVQKWORLWYOHD-ZDUSSCGKSA-N 399.428 0.792 30 10 GCEE N/C(=N/OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccnc1 148784141 RUIFUMDDJJOURK-UHFFFAOYSA-N 397.435 0.507 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 163025953 CNGXZTRHNJCFFR-NXHRZFHOSA-N 376.501 0.964 30 10 GCEE C=C(CO)C(=O)O[C@H]1C[C@@]23O[C@@H]2CCC(=C[C@H]2OC(=O)C(=C)[C@H]12)CO[C@H]3O 256917220 VPZCNCFYAPSUAL-YALWORMISA-N 378.377 0.141 30 10 GCEE in-vitro C/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CN(C(C)C)C[C@H]1C 261933785 BZQDEQRDLLNUFL-HUUCEWRRSA-N 391.607 0.259 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 293124814 VPKVKWZNTFWCGO-ZDUSSCGKSA-N 387.531 0.740 30 10 GCEE COCCN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 299205220 CAXKHENUKUQHER-UHFFFAOYSA-N 394.497 0.673 30 10 GCEE COc1c(C/N=C(/O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c(C)nn1C 329663612 PGGNATBRLQCKTL-UHFFFAOYSA-N 392.504 0.637 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 330535740 SBMBOPVJCFSXJV-MRXNPFEDSA-N 378.517 0.718 30 10 GCEE C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C1=O 348984120 LTCKEFCXMVSTTI-ZFWWWQNUSA-N 379.438 0.573 30 10 GCEE Cn1ccc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2c1=O 375297997 XBWNJIBZVBEXAP-MRXNPFEDSA-N 379.420 0.676 30 10 GCEE CCOc1ccc(C(=O)N2CCC(NC(=O)NCC(=O)NCC#N)CC2)cc1 377031356 NQRYXZPXJGLAIC-UHFFFAOYSA-N 387.440 0.629 30 10 GCEE CCOC(=O)C[C@H]1C[C@H](OC)CN1CCS(=O)(=O)c1ccc(C#N)cn1 377591191 KDNRKIYFMLJLPW-CABCVRRESA-N 381.454 0.769 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@]2(CCC)COC)CC1 410957908 UIVUVLWWLCOLIV-FQEVSTJZSA-N 394.516 0.241 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)c(C#N)cn1CC 421234388 DSKAUWOGALBFKC-GFCCVEGCSA-N 376.413 0.867 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCSC[C@H]1CCO 442100623 RJKOQRACSPGAKT-CQSZACIVSA-N 393.465 0.848 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)n1 473605812 OBBHMRGWGAMQSB-UHFFFAOYSA-N 396.798 0.970 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F 508232868 XTRGJSVUDYROMV-LBPRGKRZSA-N 382.417 0.566 30 10 GCEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508894524 LLZGOMUODMSVBE-OAHLLOKOSA-N 393.455 0.982 30 10 GCEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 508945093 JAEQBFZICHEBMM-KBPBESRZSA-N 398.533 0.959 30 10 GCEE CS(=O)(=O)N1CCCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 520799730 SFVVBRVVZOYEMX-HNNXBMFYSA-N 385.511 0.736 30 10 GCEE C=CCn1c(Cc2nc(C)cs2)nnc1N1CCO[C@H](CNC(=O)NC)C1 528299833 KFTOMGNKVREHFH-CYBMUJFWSA-N 391.501 0.954 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1F 548760427 SRMNRYMEPGBRDH-AAEUAGOBSA-N 375.447 0.694 30 10 GCEE Cc1ncc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1C#N 589890742 JDKYBRNDXYJZSP-INIZCTEOSA-N 377.470 0.365 30 10 GCEE CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)C(C)(C)C1=O 593583250 YFYFKRMDEQQAEF-UHFFFAOYSA-N 379.438 0.976 30 10 GCEE COc1ccc(C2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)nc1 593660497 HMUYRIUBQHQRIH-UHFFFAOYSA-N 382.424 1.545 30 10 GCEE COC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCOCC1 595615359 LYFQUDZUZMOLHJ-KRWDZBQOSA-N 391.472 0.535 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1 595956075 JJXIJFXJKSHSIS-HUUCEWRRSA-N 399.494 0.412 30 10 GCEE CN(CC1=CCCOC1)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 595956096 JPSLYCXKZOXKSI-UHFFFAOYSA-N 385.467 0.456 30 10 GCEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@H]2C(N)=O)n(-c2ccccc2)c1C 596621520 MPBKVSHDADOCMV-WBVHZDCISA-N 381.436 0.825 30 10 GCEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CCC(=O)Nc1ccccc1C#N 598633848 AUZDXEJKGHOIRT-ZFWWWQNUSA-N 399.407 0.055 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 728608515 FCFPWVPWXNMEIF-UHFFFAOYSA-N 391.471 0.816 30 10 GCEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)COc1ccc(F)cc1 735852106 GPVNIZFACBHZGH-BZSIDJSBSA-N 377.372 0.598 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)c1c(F)cccc1F 741085900 GXHRPFANFQJTTG-PVEMMZBWSA-N 380.351 0.824 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H](C)CS(C)(=O)=O 767681945 UIGNKPJDJURRAH-NEPJUHHUSA-N 388.467 0.449 30 10 GCEE COC(=O)CCN1CCC(=NNC(=S)NCCCN2CCOCC2)CC1 788700961 VBULCUMHBJIQHB-UHFFFAOYSA-N 385.534 0.188 30 10 GCEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1CCOCC1=O 790738911 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GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC(=O)NCc3ccco3)C2=O)cc1 487142004 SZNNALBRUDDVMO-QGZVFWFLSA-N 395.419 0.868 30 10 GCEE COC[C@H](CCO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543000694 YVHUMTKJADYXNL-ZDUSSCGKSA-N 391.815 0.849 30 10 GCEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1=O 543974884 DDIWKQMUIQZSNX-CQSZACIVSA-N 391.428 0.900 30 10 GCEE Cc1cc(C#N)nc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 552911146 MRHGIEXJLVZSMC-UHFFFAOYSA-N 379.467 1.351 30 10 GCEE Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 566649832 NSVUMHSMBAGCBD-UHFFFAOYSA-N 392.423 0.787 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCc2cnccn2)n1 570543986 GYFZZSHEFCEUIJ-UHFFFAOYSA-N 395.810 1.485 30 10 GCEE N#CCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 574398919 PJVUBNQTPDOKIC-UHFFFAOYSA-N 397.479 0.135 30 10 GCEE N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)N4)CC2)c1 593783282 XFDXYWDKKNDKCK-BGYRXZFFSA-N 395.507 0.992 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)C3CC3)c2)C[C@H]1O 594631510 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30 10 GCEE C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 657776085 RDDWHLXIKYKVCW-HNNXBMFYSA-N 395.481 0.461 30 10 GCEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664821 OYTVGOSOPIABJN-INIZCTEOSA-N 378.436 0.882 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 747249631 CNSGLNRGAXMMNW-AJHXJQRKSA-N 397.474 0.684 30 10 GCEE COc1ccc(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C#N 747329325 KBUMOYSEIADEJV-UHFFFAOYSA-N 398.423 0.944 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)OCCCNS(=O)(=O)CC)cc2C1=O 753313785 SICXUTAEELFBDA-UHFFFAOYSA-N 380.422 0.955 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 758752663 NDPPIHLZJSFRFZ-JSGCOSHPSA-N 377.445 0.762 30 10 GCEE C[C@H](CC(=O)NC[C@]1(CCO)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 762578248 GNEIZVLMTUYJBA-ACJLOTCBSA-N 395.481 0.409 30 10 GCEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1CCN(c2ccccn2)CC1 773939435 UKTLEYOXMLWEQW-UHFFFAOYSA-N 399.476 0.721 30 10 GCEE 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378.469 0.874 30 10 GCEE CN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2367399575 BNTRFQDPRTYCFN-HHARLNAUSA-N 398.525 0.894 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2379601647 XGTKHETUGXLBGR-JOZQASQYSA-N 382.457 0.469 30 10 GCEE C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 170374046 GVCTWOSWXUQHSG-UHFFFAOYSA-N 387.845 0.602 30 10 GCEE C=C1[C@H](O)[C@@]2(O)OC[C@@]34[C@H](C[C@@H]5C(C)=CC(=O)[C@H](O)[C@]5(C)[C@H]23)OC(=O)C[C@@H]14 257591118 WBBVXGHSWZIJST-KHZLFFPPSA-N 376.405 0.086 30 10 GCEE biogenic C/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)n[nH]2)CC1 262428762 SDPZLCBFSAAEBR-CYBMUJFWSA-N 380.518 0.419 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)C1=O 268893406 DMQRJTYSXGYDNR-UHFFFAOYSA-N 384.436 0.929 30 10 GCEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 285796884 MOIPNIPRXANYGG-HNNXBMFYSA-N 379.420 0.185 30 10 GCEE CCOC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 295224433 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 425863506 MBBNAJKCABZWNP-OTWHNJEPSA-N 387.480 0.711 30 10 GCEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 438948294 MPDURXFCLHVSRH-TUVASFSCSA-N 378.406 0.672 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1=O 440261812 AFXWDAQKHHOBFW-ZBFHGGJFSA-N 384.436 0.474 30 10 GCEE CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 472636043 NITAGEKZGSNITL-UHFFFAOYSA-N 386.437 0.219 30 10 GCEE Cn1cc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)cn1 513787629 BZHIJOYRQYRHKU-KRWDZBQOSA-N 387.421 0.533 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc2C1=O 536360759 NDOFLDPDWGZSHY-GFCCVEGCSA-N 377.422 0.362 30 10 GCEE COc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnc2c1cnn2C 541473364 DRSIKQKOIKZCHJ-LBPRGKRZSA-N 392.423 0.989 30 10 GCEE N#CCC(=O)N1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 563380889 KLHQCDFSNIDHBE-HHHXNRCGSA-N 391.449 0.540 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C3CCC3)CC2)c1 565229500 GYNSUMNBKROGAF-UHFFFAOYSA-N 398.510 0.347 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCCC[C@@H]34)CC2)n1 580778918 SYHYAEAWYUZKIL-IRXDYDNUSA-N 382.468 0.345 30 10 GCEE CCOC(=O)c1c(NC(=O)Nc2cc(OC)n(C)n2)c(C#N)cn1CCOC 582040446 RARGSYLFCQYYOZ-UHFFFAOYSA-N 390.400 1.569 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 593598716 NJEMEGFBJJDPBN-CABCVRRESA-N 380.422 0.913 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC3(CCCOC3)C2)cc1 593627028 LAEKLURCGPCFGJ-CYBMUJFWSA-N 391.449 0.950 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CNc4ccccc4C3)CC2)n1 593773462 JBLGWEKPYYAZKM-QGZVFWFLSA-N 390.447 0.755 30 10 GCEE N#CC1(CNC(=O)CS(=O)(=O)CC(=O)NCC2(C#N)CCCC2)CCCC1 594375361 CGJRYHSZAYAHGE-UHFFFAOYSA-N 394.497 0.802 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 594635591 VMRXNHYMPQCJIJ-CYBMUJFWSA-N 387.483 0.536 30 10 GCEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)n1 595125886 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C=CCn1c(-c2cccn2C)nnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 647366962 BAYVHSRRIVATLP-KRWDZBQOSA-N 377.470 0.864 30 10 GCEE O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 653827339 VHAAUENNXBLHBO-DLBZAZTESA-N 381.398 0.924 30 10 GCEE C=CCCC1(CNC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CCCC1 668522562 ZCECNJFPJCXBBG-UHFFFAOYSA-N 378.517 0.956 30 10 GCEE C#CCN(CC(=O)Nc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 729265953 KTGVAYPXAILIPX-MRXNPFEDSA-N 377.466 0.497 30 10 GCEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 729333941 DAFMSAOXTORUBZ-INIZCTEOSA-N 394.474 0.122 30 10 GCEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C(=O)C1 741188281 HFCZMXGWXDVNMC-OAHLLOKOSA-N 391.472 0.264 30 10 GCEE C#C[C@H](CC)NC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC 753881617 MMPRSLAARGBJAP-SNVBAGLBSA-N 378.381 0.966 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 758652320 VWVGWBURDXNJON-UHFFFAOYSA-N 383.452 0.616 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CCS(=O)(=O)C1 774172153 MHHNPZWLIUQTJR-HUUCEWRRSA-N 377.470 0.277 30 10 GCEE C#CCN(C(=O)NCCOc1ccc(C(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 774211916 PBKUURSHLWWUEA-OAHLLOKOSA-N 394.449 0.684 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774248846 BDRYGQNUEIMWFS-ZACQAIPSSA-N 383.514 0.462 30 10 GCEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CCN1C1CC1 802684444 QWZVQZJULSHSAU-SJORKVTESA-N 399.499 0.870 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 804895592 LNDHADFPJFFBGD-MGPUTAFESA-N 393.484 0.181 30 10 GCEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]1(C)CN 818007660 GNVKKAJQMLGEJM-FZKQIMNGSA-N 378.498 0.949 30 10 GCEE C=CCC1(O)CCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 829695800 PNFYGMPEWQHRES-AWEZNQCLSA-N 381.473 0.994 30 10 GCEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 838930023 PWZBOGDOCNACQU-OAHLLOKOSA-N 393.469 0.029 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=O 840116945 RSOIGSLEUFVPGM-GVDBMIGSSA-N 390.484 0.517 30 10 GCEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCSC2)C1 843631715 NJZCXRVLXGJRTP-MRXNPFEDSA-N 381.479 0.460 30 10 GCEE C#CCN(C(=O)NCc1ccccc1CC(=O)OC)[C@H]1CCS(=O)(=O)C1 847471581 FRAKBIZZNJSZEM-INIZCTEOSA-N 378.450 0.734 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 862195584 SCAWXIUXKSXEIK-INIZCTEOSA-N 381.436 0.908 30 10 GCEE C#CCN(CC(=O)N1CCC(OCC)CC1)CC(=O)N1CCC(OCC)CC1 874137318 WBKDRBXNEZPVFP-UHFFFAOYSA-N 393.528 0.977 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 875607933 QHUKDTOPWFJGMS-MRXNPFEDSA-N 391.855 0.779 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 891123519 OXCPQHSAJZXQJN-PDOICOKGSA-N 394.516 0.588 30 10 GCEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]2CC[C@H]1C2 895625581 CTCBMQAMLIALHQ-ZOBUZTSGSA-N 382.486 0.038 30 10 GCEE C=C1[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C 900025231 BKJYJNSVBGFLIL-IYBDPMFKSA-N 394.516 0.535 30 10 GCEE 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Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 135408477 URJPJKQMYPBRLC-UHFFFAOYSA-N 387.831 0.921 30 10 GCEE Cc1nnc(CN/C(=N/C[C@@H]2CCCO2)N2CCN(C3CC3)C(=O)C2)n1C 261962121 KLQSITMLPIKJDR-HNNXBMFYSA-N 375.477 0.055 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](CC)CO)CC2)c1 269483066 KZOSPZJTLXSQSF-INIZCTEOSA-N 381.498 0.680 30 10 GCEE CC1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 273005253 PDKHZOAGAYLFGM-ZDUSSCGKSA-N 390.465 0.839 30 10 GCEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 273600607 RUKYEBNZPMPSKC-ZDUSSCGKSA-N 384.454 0.383 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@]2(CCOC2)C1 274416302 HPUNKJYAEZZFLH-CXAGYDPISA-N 379.438 0.243 30 10 GCEE N#Cc1cc2c(nc1NC(=O)CN1C(=O)[C@H]3[C@H](C1=O)[C@H]1CC[C@H]3O1)CCCC2 275017670 YSCBYZVWOAWGPI-MUIFIZLQSA-N 380.404 0.933 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)ccc1F 279050022 YWZDWSRTHFLMQR-KRWDZBQOSA-N 381.429 0.642 30 10 GCEE C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 283912634 JWISOYJFABPMOS-INIZCTEOSA-N 384.484 0.592 30 10 GCEE Cn1cc(S(=O)(=O)N2CCC(/N=C(/O)N[C@@H]3C[C@H]4CC[C@H]3O4)CC2)cn1 329970374 XCURXUJFWHCWCB-BPLDGKMQSA-N 383.474 0.397 30 10 GCEE CN(C)C(=O)CCN1CCN(/C(O)=N/C2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 330310650 NMFCXWUDSSVGKF-QZTJIDSGSA-N 395.548 0.374 30 10 GCEE C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)[C@H]1C 349488128 ZCLOJLUHVNCDQA-QWRGUYRKSA-N 375.476 0.094 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@H]3CCC[C@H]32)nc1 349539887 JBTAUFXZLSSHTM-AGGWBTHJSA-N 384.483 0.803 30 10 GCEE C=CCCCN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 410618552 ARZXJOJUZUAOIL-HNNXBMFYSA-N 387.502 0.064 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 425797475 VISXZDREMBLCTH-LRDDRELGSA-N 383.383 1.529 30 10 GCEE CC1(C)CC[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)O1 427273374 IRYKAVWOKXXNTG-OAHLLOKOSA-N 382.424 1.210 30 10 GCEE COC(=O)CC1(NS(=O)(=O)CC2(C#N)CCCC2)CCS(=O)(=O)CC1 439096016 VMHSBPJBDYHJBZ-UHFFFAOYSA-N 392.499 0.500 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460943819 OIAFUDYNUOSJHA-AGIUHOORSA-N 384.506 0.555 30 10 GCEE COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462101617 KZNHGTINCYRMTN-HNNXBMFYSA-N 384.396 0.917 30 10 GCEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 466698926 CBRWGMNJZUKZLA-UHFFFAOYSA-N 392.379 0.866 30 10 GCEE CCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 469496718 YHJYZEGBTRSWDW-CQSZACIVSA-N 393.469 0.228 30 10 GCEE CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 480738957 IFYPBFVYLHAMFB-ZDUSSCGKSA-N 375.447 0.541 30 10 GCEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)CC#N)CC1 503624642 CMSDDQVUISKIIZ-CYBMUJFWSA-N 378.454 0.716 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 508910840 FLRMHRMFTIPBHB-KGLIPLIRSA-N 399.517 0.801 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C)c1 515433258 SQDNUCYTNNPIAE-AGIUHOORSA-N 387.483 0.411 30 10 GCEE C[C@H](C(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)n1cnc(C#N)n1 539509903 IZLNQXFYOCBHTA-GFCCVEGCSA-N 388.453 0.940 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)cn1 545893081 BXNFESDTYXMGKJ-OAHLLOKOSA-N 384.396 0.389 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 552694390 CKEKIWYNVBZVFL-UHFFFAOYSA-N 375.392 0.888 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 555243342 QESVOMACKYYXCH-CABCVRRESA-N 399.517 0.660 30 10 GCEE CS(=O)(=O)c1nccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1 566431217 HJMFROYPDIMYJO-MRXNPFEDSA-N 385.449 0.903 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C)c1 568255171 NSTCZPKJUIAYGV-JHJVBQTASA-N 387.483 0.363 30 10 GCEE N#CCC(=O)N1CCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 572617067 PRYBLNSXCKZUSR-UHFFFAOYSA-N 377.401 0.758 30 10 GCEE CC[C@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1 574702923 CMGPOKWHLWFQDX-NWDGAFQWSA-N 375.472 0.268 30 10 GCEE CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 577949818 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GCEE N#CCCN1CCN(C(=O)C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CC1 601532830 KXSDHFUKFMWLLY-XLIONFOSSA-N 388.443 0.371 30 10 GCEE CCN1C(=O)[C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCN2C1=O 611558369 RHXJZPKUOXFAIR-XIKOKIGWSA-N 378.429 0.743 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc3oc(=O)n(C)c3c2)CC1 637495774 QINNSQPUGPLWBF-UHFFFAOYSA-N 387.440 0.261 30 10 GCEE C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 654836394 KWTUTWCCPSXMPN-BIENJYKASA-N 386.408 0.482 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 669331442 GLRZMYHWLAEMQL-LBPRGKRZSA-N 380.478 0.120 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)n1 779842202 WNFCRPWHKVSPDZ-MSOLQXFVSA-N 392.419 0.573 30 10 GCEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)(F)F 796722658 HUNMGHDNYHWJBD-ZDUSSCGKSA-N 391.371 0.767 30 10 GCEE C=CCOC[C@@H](NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(=O)OC 797761641 HVXWGRGYKQABAZ-YYRKOSNBSA-N 382.438 0.932 30 10 GCEE C#C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(F)cc1 812486339 LNFZMDKBJIIOQU-BPAMBQHCSA-N 399.382 0.363 30 10 GCEE CNS(=O)(=O)NC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 816469040 QYYDXGCUCDXJHC-UHFFFAOYSA-N 391.453 0.909 30 10 GCEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(O)C2=O)ccc1[N+](=O)[O-] 820178755 AEZFRPLQOHDPJC-TZMCWYRMSA-N 376.369 0.614 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)n1 821985638 CYIJICMUQOKKAD-ZBFHGGJFSA-N 382.486 0.640 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 824927915 DNKRHCPQUGJPEO-YJBOKZPZSA-N 391.443 0.986 30 10 GCEE C[S@](=O)C1(C(=O)N2CCO[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 826663131 YHJJXRRDTUZLKG-NRRJATNASA-N 385.486 0.886 30 10 GCEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(C(F)F)C1 833773571 AJIGLYUCVXCTHM-INIZCTEOSA-N 387.408 0.734 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCSC[C@@H]1CCO 846269112 FLGSYLLPPCNDOK-HOTGVXAUSA-N 377.466 0.376 30 10 GCEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 848469387 FYMLBRXAAXWLKL-KZULUSFZSA-N 391.449 0.784 30 10 GCEE COCC(COC)S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 851502128 AWYABBHGYDQVMT-ZDUSSCGKSA-N 399.444 0.631 30 10 GCEE COc1cc2nc(C(=O)N[C@@H]3CCCN(O)C3=O)c(=O)n(C)c2cc1OC 854648782 JWFHNSHBBVISHV-SECBINFHSA-N 376.369 0.061 30 10 GCEE C#C[C@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 854766778 WDSZPZSDLZGGKO-CXAGYDPISA-N 396.465 0.261 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)CC)CC2)cc1 856122662 BGWUSKJIPMMYBT-UHFFFAOYSA-N 384.479 0.295 30 10 GCEE COC(=O)[C@@H]1CN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C[C@@H](C)O1 859652992 LYCZDKAPLKYEOB-FFSVYQOJSA-N 384.392 0.774 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 860730548 WJUNXAXNAVNZJO-UHFFFAOYSA-N 382.438 0.087 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 862196057 BJFHVARMSQUGDD-CQSZACIVSA-N 386.408 0.757 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCC(N2CCN(C)CC2)CC1 871101306 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CON=CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 855749273 XDARZIVBAYPJEW-KOLCDFICSA-N 381.351 0.998 30 10 GCEE Cn1c(NCCOCCCNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 858780891 LMIZZLZADNVXGT-UHFFFAOYSA-N 381.433 0.299 30 10 GCEE N#Cc1cnn(-c2ccccc2NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1N 861656038 UMZYEZXRNJOTRJ-BKEDOTJMSA-N 379.376 0.985 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(-n3ccnc3)cc2)CC1 865177729 INXNRRAMBGAWRH-UHFFFAOYSA-N 379.464 0.699 30 10 GCEE CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 867697101 BFJHHYJADLDTFM-INIZCTEOSA-N 385.511 0.644 30 10 GCEE C#C[C@@H](NC(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)[C@H]1CCCO1 875325949 UXXARRGCGZIPRX-IAGOWNOFSA-N 377.485 0.387 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 875606989 XSNRFGYUINCFJC-OAHLLOKOSA-N 378.860 0.534 30 10 GCEE C#CCOc1ccc(CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 875643595 ZUMSIYIZOLTELN-HNNXBMFYSA-N 381.454 0.158 30 10 GCEE C#C[C@@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(Cl)cc1 875723216 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C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1121509409 FXHBGPAPVBPAKU-KBAYOESNSA-N 390.532 0.891 30 10 GCEE C#CCN(c1nnc(-c2nnc(C)s2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1121548093 UBQJWRIQRNYECZ-GFCCVEGCSA-N 378.483 0.918 30 10 GCEE C=CCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1121607270 LARXDXNNJAMTEF-ZWOKBUDYSA-N 390.532 0.677 30 10 GCEE C#CCN(c1nnc([C@@H](C)C(C)(C)O)n1CCOC)[C@H]1CCS(=O)(=O)C1 1122331503 NTLOQZGYRAUPCD-KGLIPLIRSA-N 384.502 0.426 30 10 GCEE C=C(C)Cn1c(-c2ncc3ncccn23)nnc1N1CCN(C(=O)COC)CC1 1122525771 KRNTVUXMXDBHFK-UHFFFAOYSA-N 396.455 0.859 30 10 GCEE N#Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)ccc1Br 1188124081 BVGQFTGXXHHJAT-SKDRFNHKSA-N 388.243 0.632 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(OCCN2CCCC2)cc1 1261397425 ZWTWUATVGYWUEG-GOSISDBHSA-N 385.464 0.638 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 1261916292 OIKZUBRCFRJBMO-IEBWSBKVSA-N 381.480 0.576 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2(N(C)C)CCCC2)C[C@@H]1O 1281891735 FFVGSJMFIWCGKI-ZMMAXQRCSA-N 393.528 0.920 30 10 GCEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286701178 RVWKEZSRIUBWEH-OAHLLOKOSA-N 383.456 0.852 30 10 GCEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)CCS(C)(=O)=O 1286790847 YGWRHXYJIICGRH-UHFFFAOYSA-N 383.518 0.794 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csnn1 1292099091 IYRLTWIYIZBTAB-BHPKHCPMSA-N 377.470 0.871 30 10 GCEE C=C[C@H](CC)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1292230607 GRBSBIPIRXYTOV-TUVASFSCSA-N 376.457 0.779 30 10 GCEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1300511632 BHRXVPCSXDTFOV-VQTJNVASSA-N 387.484 0.070 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCCO1 1301520525 HIFCTWQGUXCIQB-UXLLHSPISA-N 393.488 0.920 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C2COC2)nn1 1301953115 QHAANGIUFDRFTP-ZDUSSCGKSA-N 399.459 0.321 30 10 GCEE 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CC1(C)OB(c2ccnc(N[C@@H]3CCN(S(C)(=O)=O)C3)c2F)OC1(C)C 2280791129 OCIFIPARIDVYCZ-LLVKDONJSA-N 385.270 0.966 30 10 GCEE C[C@H]1CN(C)C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)O1 2281794261 DBZNUPVHNKHABS-RYUDHWBXSA-N 381.307 0.891 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)C(N)=O)cc1Cl 2281814270 JTTNFFBIFQSTLP-ZDUSSCGKSA-N 382.653 0.524 30 10 GCEE COC[C@@H](NC(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(N)=O 2281935721 DODPGVNWUGROCN-LLVKDONJSA-N 382.291 0.894 30 10 GCEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 2282062461 YTKHBRADMYGKSC-NWDGAFQWSA-N 381.259 0.899 30 10 GCEE COCC[S@@](=O)CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282178378 NGWDKYKKUNIHAR-SANMLTNESA-N 382.291 0.506 30 10 GCEE C[C@H](CC1CCC1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282299266 SGSGDICLUJDHQV-LLVKDONJSA-N 384.311 0.971 30 10 GCEE CC[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)NC 2282329643 PJUDBKPHCHXQGZ-CYBMUJFWSA-N 383.279 0.184 30 10 GCEE CCN(CCN(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282332167 XDPYCCNPZKTNAS-UHFFFAOYSA-N 386.327 0.292 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]12C[C@H](CO1)C2 2282335288 NMNIFIIWMYSCLH-AITUWYQGSA-N 383.279 0.177 30 10 GCEE CN(C)CCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282336713 BDFOCDLKDPAXID-UHFFFAOYSA-N 386.327 0.339 30 10 GCEE COC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282345094 NSAPARSVLFETKE-ZDUSSCGKSA-N 385.291 0.614 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](CN)C1 2282350396 MHTMZKFRNSCDMM-LBPRGKRZSA-N 384.311 0.079 30 10 GCEE C[C@H](NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H](O)CO 2282511144 KEQLGWHLBQOFGD-SWLSCSKDSA-N 385.291 0.147 30 10 GCEE CN1CCN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2282545161 HEVBBRDIWNKTJG-MNOVXSKESA-N 380.685 0.901 30 10 GCEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)C3O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282556250 FLHZSRRHJMFVLA-HWYHXSKPSA-N 381.669 0.826 30 10 GCEE COCC[S@@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282593330 PDKUKSHEFJBBJK-AREMUKBSSA-N 385.295 0.912 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N[C@@]23CC[C@@](CO)(C2)OC3)OC1(C)C 2282621036 NARVNHMBNUPYSS-IRXDYDNUSA-N 380.275 0.856 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1COC[C@H]1N 2282834036 OIJDFDMCBVIWKT-ZIAGYGMSSA-N 382.291 0.299 30 10 GCEE C[C@H]1C[C@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852934 WOOIGIWVYLKTPB-NWDGAFQWSA-N 384.311 0.077 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NCC3(C(N)=O)CC3)c2)OC1(C)C 2282861795 UETZJTWQMKTVBK-UHFFFAOYSA-N 380.275 0.530 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](OCC(=O)O)C3)ns2)OC1(C)C 2284377103 UKAWOIJXLYZHDG-SNVBAGLBSA-N 382.247 0.758 30 10 GCEE Cn1nc(C(=O)N[C@H](C(=O)O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2284447917 SGZRJIPYMGXXMK-SECBINFHSA-N 377.128 0.465 30 10 GCEE Cc1nc(C(=O)N[C@H](C)COCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284462005 ASTABMDBWGHPQQ-SECBINFHSA-N 384.263 0.970 30 10 GCEE COc1ccc(C#C[C@H](N)[C@H](O)[C@@H]2COCCN2C(=O)OC(C)(C)C)cn1 2295782401 AXDWWSAXDSUYJM-ZOBUZTSGSA-N 377.441 0.766 30 10 GCEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(OC)cc1OC 2331565508 KSYCFFHKTGFJPM-UHFFFAOYSA-N 395.441 0.910 30 10 GCEE C#CCO[C@H]1CCCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2335427138 BAVJRBLXRMGIGJ-KBPBESRZSA-N 388.486 0.565 30 10 GCEE CN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2341631903 MTQRCIZDAAFHJI-JONQDZQNSA-N 384.498 0.504 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H]([C@H](N)C#CC3(S(C)(=O)=O)CC3)[C@@H]2C1 2342031884 HSQFOTBKEYYYFU-XQLPTFJDSA-N 384.498 0.776 30 10 GCEE CN(CCS(=O)(=O)N(C)C)Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2342924517 WYFGCFOONABLIP-UHFFFAOYSA-N 389.352 0.766 30 10 GCEE Cn1nc(C(=O)N[C@H]2C[C@@H]3CN[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359266876 AWTCFSCWNDYWSG-VWYCJHECSA-N 380.685 0.853 30 10 GCEE CN[C@H](C#Cc1ccnn1C)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1 2367748646 XUUKUOPENYFMNB-HZPDHXFCSA-N 378.473 0.794 30 10 GCEE Cn1nccc1C#C[C@H](N)[C@]1(O)C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2367750830 OHYWTAGGYLDLSL-IUVQAAGXSA-N 376.457 0.628 30 10 GCEE COC(=O)C1(NC(=O)c2csc(C)c2B2OC(C)(C)C(C)(C)O2)CNC1 2369543834 RGROMFWZIBMISJ-UHFFFAOYSA-N 380.275 0.601 30 10 GCEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](NCC#CCCO)(C(=O)O)C1 2377246227 QUEASVUKEXAXMZ-OALUTQOASA-N 382.457 0.975 30 10 GCEE C#CCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 104092593 QWBAXVKDPWQDKI-KRWDZBQOSA-N 390.509 0.243 30 10 GCEE CCCc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n(C)n1 180601246 PLUYWDUITDCPOW-UHFFFAOYSA-N 381.440 0.927 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 273420657 MRLBDKWFFQTUBZ-CQSZACIVSA-N 381.454 0.527 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O 281789765 SCRIMOPAWGRVAW-OCCSQVGLSA-N 380.445 0.901 30 10 GCEE C=CCCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 288523226 GQBRQEIAKSYBRQ-CALCHBBNSA-N 378.517 0.718 30 10 GCEE CS(=O)(=O)N1CCC[C@H](/N=C(/O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 329422530 FTOJGUUIYPEYCV-CABCVRRESA-N 386.518 0.659 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc21 349577905 RPXOQWRDWUMURS-GFCCVEGCSA-N 389.503 0.201 30 10 GCEE N#C[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCN1C1CC1 371000536 QHGKWIRBBCEBQM-AESZEHBQSA-N 377.514 0.911 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 375740338 BBMZSVCBUODUIN-MSOLQXFVSA-N 375.473 0.538 30 10 GCEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 376386526 SARDIRGVFBMHSF-KGLIPLIRSA-N 386.499 0.518 30 10 GCEE Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c(OC[C@@H]2CCOC2)c1 409519612 NXEJQSOXZCVYQR-WBVHZDCISA-N 395.481 0.969 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC4(CCNC4)CC3)CC2)cc1 423011548 JDYHRDLZTMRSJL-UHFFFAOYSA-N 395.507 0.805 30 10 GCEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(C#N)n1C 448980617 BQOZGYWBBYQENE-UHFFFAOYSA-N 376.438 0.440 30 10 GCEE CCNC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 472995271 SZJPOCUVRQEGBO-AWEZNQCLSA-N 393.469 0.331 30 10 GCEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508887467 JBEFSFMWNGKBKW-HNNXBMFYSA-N 399.455 0.373 30 10 GCEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 516614184 YUYNWADWYWOQCV-KRWDZBQOSA-N 379.482 1.000 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 519568463 RYZOEXANSZNPKJ-GOEBONIOSA-N 385.511 0.639 30 10 GCEE C[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C2(C#N)CCC2)c1 568880954 OOYGORAJYGSLNP-LBPRGKRZSA-N 387.483 0.412 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)C1=O 575162783 KLECEXXIZOSUTC-WMLDXEAASA-N 396.451 0.690 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cscn3)C2=O)cc1 586845710 WMYQOZDNJFYNCD-OAHLLOKOSA-N 383.433 0.943 30 10 GCEE Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)cc1S(=O)(=O)NCC#N 591783766 BYXILZPOLDAYPY-JOYOIKCWSA-N 379.360 0.838 30 10 GCEE CC(C)(CO)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 594635595 VWERKVIEUXWTPJ-UHFFFAOYSA-N 387.483 0.318 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 595156820 YQVSZNMCHPHCKI-FQEVSTJZSA-N 389.500 0.342 30 10 GCEE CC1(C)OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 595952893 CAZNIRYPLDAZLV-LBPRGKRZSA-N 387.483 0.582 30 10 GCEE N#Cc1c(F)cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F 596698928 SSMFOIVNCVQOLI-UHFFFAOYSA-N 378.379 0.453 30 10 GCEE Cc1cc(N2CC[C@H](NC(=O)C(=O)NCC3(C#N)CCCCC3)C2=O)n(C)n1 597299126 UDCWKUNIHXBPJO-AWEZNQCLSA-N 386.456 0.540 30 10 GCEE C=CCCn1cc(CS(=O)(=O)C[C@H](O)COc2ccc3c(c2)OCO3)nn1 656176917 XPUBPSMAKKXEBS-CQSZACIVSA-N 395.437 0.938 30 10 GCEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 669316866 NATHTYJRSNUGJH-ZNMIVQPWSA-N 392.485 0.503 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN([C@H]2CCNC(=O)CC2)CC1 669336491 JHFVFPWPGIHLKB-OAHLLOKOSA-N 399.503 0.440 30 10 GCEE C=CCOCCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 679524746 GLOFZDFBPBABDW-UHFFFAOYSA-N 385.442 0.714 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cccnc2C#N)C1 702766256 MOMAXPRAMGNQDV-DGCLKSJQSA-N 382.442 0.459 30 10 GCEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1C#N 703989156 HCLKRXSETGHWSJ-ZDUSSCGKSA-N 391.449 0.863 30 10 GCEE COc1cccc([C@@H](C#N)NC(=O)Cn2cnc3c(cnn3C)c2=O)c1OC 729429013 HRLOYQVJQIWEPH-CYBMUJFWSA-N 382.380 0.528 30 10 GCEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 732492716 BLEXYXQXISITEM-SREVYHEPSA-N 384.417 0.972 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(=O)c(O)cn2C)ccc1F 752055678 LEVSFIYJZLLNGD-UHFFFAOYSA-N 395.412 0.624 30 10 GCEE C=CCNC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 760983075 UCUPENLIKQMULP-ZDUSSCGKSA-N 385.442 0.538 30 10 GCEE CCCC[C@H](ON=C(C)C)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 767753213 ZVJUKEUFHPXVSL-ZDUSSCGKSA-N 393.444 0.948 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCOC2)C1 769623383 LKEFMUSLPRVURQ-QGZVFWFLSA-N 379.438 0.133 30 10 GCEE COc1ccccc1/C=C/C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888702 FQYSECOYWCLCCG-ILLSEFGJSA-N 378.410 0.070 30 10 GCEE C#CCN(C(=O)N[C@H]1COc2c(cccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 774197408 AUUMAYXFVMCAAC-HUUCEWRRSA-N 378.450 0.831 30 10 GCEE C#CCOCCNC(=O)C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 785165476 UOMJATONTYBYAX-UHFFFAOYSA-N 384.392 0.754 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n1 788814956 KFSAWFXXCIAMED-UHFFFAOYSA-N 393.469 0.384 30 10 GCEE COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 798859188 CXHJYRCJUXRSCB-JTQLQIEISA-N 397.388 0.380 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Oc2ccccc2)C(C)(C)O)CC1 820075166 SOEYGPZWRJFXDQ-SFHVURJKSA-N 375.469 0.651 30 10 GCEE C#CCN(CC(=O)N[C@@H]1CO[C@H](C2CC2)C1)CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 825015974 WLLFRAIVHUCVAN-CADBVGFASA-N 389.496 0.289 30 10 GCEE C#CCN(C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 839709754 UKCPJKAZNVBNPE-UONOGXRCSA-N 388.445 0.628 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 846340107 GVNQIBYVOIKRRP-INIZCTEOSA-N 395.419 0.253 30 10 GCEE 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C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1300467065 CYUJLVTULZDVEN-INIZCTEOSA-N 382.468 0.828 30 10 GCEE 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](C)O1 1312467643 AIMVXNFXHZMODM-MQYQWHSLSA-N 396.444 0.717 30 10 GCEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1315806365 DPYOUQWORPTTKS-YESZJQIVSA-N 390.488 0.968 30 10 GCEE CC(C)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)N(C)Cc1nnc2n1CCC2 1321312930 PGRRQMIZSAABKD-LRDDRELGSA-N 399.459 0.048 30 10 GCEE Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n[nH]1 1322794613 SSTQKCVDXMAZKO-JSGCOSHPSA-N 396.455 0.164 30 10 GCEE CS(=O)(=O)Nc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1323390109 HUYFROXANBOITI-FOCLMDBBSA-N 378.410 0.913 30 10 GCEE N#CCCCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1325645058 AHXVSBCKZRNNED-IRXDYDNUSA-N 383.452 0.121 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 1326308369 ISDPVJYFVABLCO-ZWKOTPCHSA-N 384.480 0.174 30 10 GCEE C#CCOc1ccccc1CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C 1326646388 QVJKUDCSIQTIOC-KRWDZBQOSA-N 382.420 0.648 30 10 GCEE CNCCCC(=O)N1CCC(NC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1327532965 NEYPDBJALCFCCG-UHFFFAOYSA-N 399.495 0.324 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCN1S(C)(=O)=O 1328036798 QYFAAWOFFZBHEM-WBMJQRKESA-N 390.465 0.154 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 1328909614 VIAKOYOOQGOQRD-ZDUSSCGKSA-N 391.449 0.496 30 10 GCEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCC(C(=O)N3CCOCC3)CC1)C2 1329725375 IZLNALGPZNUYMO-UHFFFAOYSA-N 396.447 0.498 30 10 GCEE CSc1nc(O)c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C#N 1331194441 CXMOPWROICEJNY-ZDUSSCGKSA-N 376.438 0.890 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CCOCC3)n2)C1=O 1333321897 RNGZQJYDXUOMKE-AWEZNQCLSA-N 375.429 0.418 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)CC1 1333973028 RPEVCDZCJWURKJ-QZJAMERBSA-N 376.453 0.912 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 1336299685 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0.423 30 10 GCEE C=CCOCc1nnc(N2CCN([S@](C)(=N)=O)CC2)n1C[C@H]1CCOC1 1346677969 HYMQDLUUKSLHFB-PTFIGZPYSA-N 384.506 0.731 30 10 GCEE CN(Cc1cccc(F)c1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1348210757 VYDGEISDPHJULZ-UHFFFAOYSA-N 385.355 0.002 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)C1 1348386781 GBWNIMHJOURYEN-BRWVUGGUSA-N 376.457 0.638 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCNC(=O)CC3)n2Cc2cc(C)on2)CC1 1349493427 MIHHYTGBMBKRBO-INIZCTEOSA-N 397.483 0.762 30 10 GCEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1350792731 ZBUBETRLTUVBJS-WBVHZDCISA-N 383.452 0.876 30 10 GCEE C=CCn1c(-c2cc(C)n(C)n2)nnc1N1CCC[C@H](CS(=O)(=O)NC)C1 1356143828 QZZUFHVRJXPLNB-AWEZNQCLSA-N 393.517 0.939 30 10 GCEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc(C#N)ccc1O 1447055665 ASDASXGNOJLAHD-XPTSAGLGSA-N 381.435 0.992 30 10 GCEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1454962313 VRSNDDWSRJBACI-SFHVURJKSA-N 378.388 0.960 30 10 GCEE 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C[C@@H]1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CN1C(=O)OC(C)(C)C 859346442 CTBYDGLEPFOKNB-MCIONIFRSA-N 388.490 0.833 30 10 GCEE C[C@]1(C#N)CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 862224916 XZUBMMPREAPHQZ-OAHLLOKOSA-N 384.845 0.479 30 10 GCEE O=S1(=O)CCC[C@@H](NN=Cc2c(N3CCOCC3)nc3ccccn23)C1 863129401 CONIOFLWLSKWOF-CQSZACIVSA-N 377.470 0.672 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2c(F)cncc2Br)CC1 865177439 CBXHPHZIFLTSOV-UHFFFAOYSA-N 397.248 0.881 30 10 GCEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 882521513 GAEUWTUWPBJDHQ-UHFFFAOYSA-N 376.434 0.841 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 884095209 IJQLLXKFHDUDPV-KRWDZBQOSA-N 388.468 0.829 30 10 GCEE C#CC1(F)CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C1 891167167 JJWSZUUKTBHEQB-UHFFFAOYSA-N 381.429 0.886 30 10 GCEE C#CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cnn(C)c1 906549648 LNOMXKGVQXRWAG-AWEZNQCLSA-N 375.454 0.670 30 10 GCEE C[C@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@H](C)N1CC#N 914033921 MXXSKYOHMVFZPM-IRXDYDNUSA-N 385.516 0.961 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(OC(C)C)CCOC2)c1 928761962 XIYOCQUFVUZLGU-GOSISDBHSA-N 380.466 0.912 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 929385197 OVUZDIXOOLLOKH-UHFFFAOYSA-N 391.493 0.330 30 10 GCEE N#CC1CCC(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 929887821 XQMAVFDLYDWNSA-GPANFISMSA-N 389.543 0.451 30 10 GCEE O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 1116019975 CVOGEEMDSSRROI-MVOHADHWSA-N 388.424 0.194 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 1116544558 SKWOAHLXYCVXRH-OAHLLOKOSA-N 381.454 0.478 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 1118015340 WXASGEGTFZNQSL-CQSZACIVSA-N 388.811 0.909 30 10 GCEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CC1 1118451562 LMGUJKCWXODLAW-INIZCTEOSA-N 393.451 0.606 30 10 GCEE C=C[C@@H](O)c1nnc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1CCOC 1122423879 FSBOEGDVIOOELW-QMTHXVAHSA-N 377.367 0.791 30 10 GCEE C#CCN(c1nnc(C2(O)CCC2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1123084358 ZFXRTYDYRJMING-HUUCEWRRSA-N 394.497 0.313 30 10 GCEE CS(=O)(=O)c1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1134055773 FLPDYZCNMWAVTG-ATIXIYOWSA-N 384.435 0.093 30 10 GCEE C#CC[C@]1(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1136656201 WYDUNQSUTOFFMM-SCLBCKFNSA-N 390.444 0.893 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 1143719568 BOAZQXVTIPMIHC-RDJZCZTQSA-N 391.497 0.511 30 10 GCEE N#Cc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1179847225 TWEFNGWNWSCAGN-WUJZJPHMSA-N 389.477 0.818 30 10 GCEE CN(C)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1221076527 BJJHGGFOQOGXKF-MRXNPFEDSA-N 384.440 0.293 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1 1254581406 CYHBWNOBEYUKLG-OAHLLOKOSA-N 395.481 0.987 30 10 GCEE CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC3(CC#N)CC3)CC2)CC1 1261227270 PDFSROUQAYPWGB-UHFFFAOYSA-N 389.500 0.199 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1263321052 URZQUHAKNFKPGC-FZKQIMNGSA-N 392.529 0.591 30 10 GCEE C#CCN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1CCS(=O)(=O)C1 1264995406 FFOJLOGQVLPCQO-ZDUSSCGKSA-N 389.393 0.438 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C(N)=O)[nH]2)C1 1282564903 DNXINDRMKMYQAD-WBOJAVRRSA-N 388.468 0.919 30 10 GCEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1286503241 CDIXRDPFDPFBGK-UHFFFAOYSA-N 394.526 0.692 30 10 GCEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1 1286601747 XURIBMYWIGCDCN-KBPBESRZSA-N 387.506 0.706 30 10 GCEE C=CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286775919 YLUMZCSTOZVGIA-HNNXBMFYSA-N 381.440 0.923 30 10 GCEE C#CCCCCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1290505446 CAMVRPXYZAIOIZ-LTIDMASMSA-N 375.469 0.520 30 10 GCEE CCN1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1296101029 OQAXIVDGNZWUTN-MSUUIHNZSA-N 387.444 0.172 30 10 GCEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1296735683 BSDFRUACKIDZTN-ZDUSSCGKSA-N 391.428 0.582 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 1297518849 TVYAVMGGTBQRMK-OLZOCXBDSA-N 381.429 0.404 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300498963 OJWFGRCSMIEWAR-HOTGVXAUSA-N 379.530 0.952 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301459168 TWRGOOLBBIZJAM-CRAIPNDOSA-N 395.529 0.667 30 10 GCEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NOc2cccc(C#N)c2)cc1 1302373663 JQWKVPPBSZMKGU-LBPRGKRZSA-N 375.406 0.941 30 10 GCEE COC(=O)CCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1318951867 VHXQOKZDHSHFCA-UHFFFAOYSA-N 384.396 0.596 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](CC)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1324380531 YRHLIVMJUADFSA-ZIAGYGMSSA-N 381.454 0.508 30 10 GCEE C#CCN(C(=O)C(=O)NCC1(C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1325155383 SOYYRSFUJSCNAS-QGZVFWFLSA-N 388.489 0.557 30 10 GCEE C[C@H](OC(=O)C1(n2cnnn2)CCOCC1)C(=O)NC1(C#N)CCCCC1 1327158070 PIFOMRGSHYZSQF-ZDUSSCGKSA-N 376.417 0.453 30 10 GCEE C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(=O)OC)C1 1330577067 HWFKHNZSBBYKAB-NEPJUHHUSA-N 380.363 0.895 30 10 GCEE C[C@]1(C(F)F)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 1330634302 LILBUQJMMWIGDT-GOSISDBHSA-N 393.394 0.484 30 10 GCEE C#C[C@H](NC(=O)C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCCO1 1330734386 XNTYKDITPPLSAK-PKOBYXMFSA-N 380.448 0.940 30 10 GCEE C#CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1)c1ccccc1 1331731958 SCMQHUIMAHAYFS-GOSISDBHSA-N 397.479 0.037 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 1333288844 KLSPAQDQOGUYEH-NXOAAHMSSA-N 377.485 0.684 30 10 GCEE C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1338954767 VXNPAYATRHXRAN-CRAIPNDOSA-N 395.529 0.667 30 10 GCEE C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1 1340601511 UIDGFEOYWFKGGT-QGZVFWFLSA-N 389.548 0.938 30 10 GCEE C=C(C)Cn1c(N2CCO[C@@H](C(=O)OCC)C2)nnc1[C@@]1(OC)CCOC1 1343429794 CAPPSVCWXZPECH-RDTXWAMCSA-N 380.445 0.885 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCC[C@H](N2CCNC2=O)C1 1343878654 DSZOTOLWISHGGM-JKSUJKDBSA-N 389.504 0.851 30 10 GCEE N#Cc1cnccc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1345767041 BVXQILMNLXHYME-ZDUSSCGKSA-N 376.394 0.162 30 10 GCEE C=CCCCN(CC)C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1345899516 RESDHRZZYCSUNP-UHFFFAOYSA-N 391.472 0.880 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](CCC)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1346110584 MWBKWYQWQZOIOP-GDBMZVCRSA-N 377.466 0.688 30 10 GCEE Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3Cc4cccc(C#N)c4C3)C2=O)n1 1346373789 NHPXJIPOUWBHEP-INIZCTEOSA-N 392.419 0.446 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3C[C@@H](O)CN3C)n2Cc2cc(C)on2)CC1 1347005439 GMFWJUUPKNEXOM-SJORKVTESA-N 385.472 0.116 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1351605488 UOIUUHJSKLWNGT-IKGGRYGDSA-N 376.505 0.503 30 10 GCEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c1 1355123923 QJNHOWCYVRZJCX-CQSZACIVSA-N 382.380 0.079 30 10 GCEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC1CC1 1359001812 DXRAOQPTZGPOPY-LJQANCHMSA-N 375.473 0.916 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc(=O)cc[nH]3)C2=O)cc1 1450977761 YXOYCURDDCMLBS-MRXNPFEDSA-N 379.376 0.768 30 10 GCEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 1455831872 FKWAKNPWYWZLHD-OAHLLOKOSA-N 379.438 0.851 30 10 GCEE CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1472036238 TUFWJNMSJXWLRJ-SJCJKPOMSA-N 379.438 0.819 30 10 GCEE CC(C)S(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C#N)[nH]1 1490781603 XECOVMWTHQJGAP-YUELXQCFSA-N 378.454 0.571 30 10 GCEE C=C(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1490877880 SIWABFGVPMNXCV-UPJWGTAASA-N 376.413 0.011 30 10 GCEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507590352 BHKGXFWCKQFDRB-ZWKOTPCHSA-N 399.543 0.859 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1507651720 BIHLMQMRDNXRFH-HOTGVXAUSA-N 389.525 0.736 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1515913001 ISWIYCSEXFBYTI-CVEARBPZSA-N 389.504 0.898 30 10 GCEE COCCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1519051698 WHKBBAGFPAYTHX-GOSISDBHSA-N 399.499 0.961 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)NC3)n2CC)n1 1520974693 YGDMBVHZWBEBOJ-HNNXBMFYSA-N 385.472 0.774 30 10 GCEE C=C(C)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(C)CCC(=O)NC1 1524319420 NXUBYYFUELYTLB-GUYCJALGSA-N 381.502 0.645 30 10 GCEE C=C(C)Cn1c([C@H](C)[C@@H](O)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](OC)CS2(=O)=O 1524452943 UPVYSULBQLBRSX-RBGFHDKUSA-N 398.529 0.977 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCC(=O)N1CCOCC1 1538972950 MFNUTHIOIKMDJD-HOTGVXAUSA-N 393.488 0.709 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cnn(CCOC)c1 1539026638 XHRALWSIBOOBQT-OAHLLOKOSA-N 385.472 0.750 30 10 GCEE 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CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCN(C3COC3)C2)OC1(C)C 2282519279 JQMSCLKIOFCMBI-LLVKDONJSA-N 379.291 0.645 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(C)CCS(N)(=O)=O)c1 2282694097 FBFFGGJOTYRVDQ-UHFFFAOYSA-N 382.291 0.655 30 10 GCEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282824799 FCAXYHOCDGQKPW-HUUCEWRRSA-N 398.359 0.968 30 10 GCEE C[C@H]1CC(F)(F)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282831588 AZTOXFFWKNWOSS-VIFPVBQESA-N 392.237 0.533 30 10 GCEE CN(C[C@@H](O)CN)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282833058 ULWHRJBWBFDIMF-LBPRGKRZSA-N 388.270 0.065 30 10 GCEE COC[C@](C)(CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282856610 VKJKAKHEJUHYJQ-KRWDZBQOSA-N 385.291 0.662 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1F 2282865715 XSGPSMSGFPIPNK-QWRGUYRKSA-N 388.274 0.673 30 10 GCEE CC[C@H](CS(C)(=O)=O)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283054878 AEEHQCUDSXZHSS-LLVKDONJSA-N 383.279 0.329 30 10 GCEE 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CC1(C)OB(c2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)c(O)c2)OC1(C)C 2282797244 MMSHFKJMWNUNKW-LBPRGKRZSA-N 379.243 0.732 30 10 GCEE C[C@H]1CC(=O)N(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C 2282832109 JTIOIXNUBPAIKO-VHSXEESVSA-N 384.267 0.060 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@]1(C)C(F)F 2282836012 DKXJQFNHTJRWKH-XLKFXECMSA-N 392.237 0.436 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2[C@H]3OCC[C@H]23)n1 2282841580 WNXXZOPGXRMWDP-WZRBSPASSA-N 383.279 0.033 30 10 GCEE C[C@@H](O)CNCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282865050 OTQIBNYZSOMUCF-CYBMUJFWSA-N 384.307 0.235 30 10 GCEE CC1(C)OB(c2cc(Cl)c(C(=O)NC3(CO)CNC3)cc2F)OC1(C)C 2282966506 GKFNYHSAYKDLNE-UHFFFAOYSA-N 384.644 0.842 30 10 GCEE CC1(C)OB(c2cncnc2C(=O)Nc2snnc2C(=O)O)OC1(C)C 2284384085 BJDSMECBTOUVMU-UHFFFAOYSA-N 377.191 0.578 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)C(=O)O 2284395989 RSLUNSVFYZQRIX-UHFFFAOYSA-N 387.267 0.108 30 10 GCEE CC1(C)OB(c2cncnc2C(=O)N2CCSC[C@H]2C(=O)O)OC1(C)C 2284419168 JJAARMYHGBWKBI-NSHDSACASA-N 379.247 0.418 30 10 GCEE C=C[C@@H]1COCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2285411101 RIPWKJCWESPPRZ-GFCCVEGCSA-N 383.279 0.295 30 10 GCEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289364665 LEZAPAVWZNMFKK-APIJFGDWSA-N 385.461 0.136 30 10 GCEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC(C)(C)S(C)(=O)=O)nn1 2339675740 GHGLNVBVWXUKOF-YPMHNXCESA-N 385.490 0.535 30 10 GCEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CF 2359266839 YMISMHUBOFBFBB-UPJWGTAASA-N 385.266 0.871 30 10 GCEE CC1(C)OB(C=Cc2ccc(=NCCS(=O)(=O)CCO)[nH]c2)OC1(C)C 2365104750 DAFKVASEUIVEHR-UHFFFAOYSA-N 382.291 0.967 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(C(=O)O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2374741309 CCHNHVDWJGAAHU-GGNLRSJOSA-N 381.429 0.738 30 10 GCEE C#CC[C@H](CO)N[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2377818684 OXPBXAHRSQNVGM-AUUYWEPGSA-N 382.457 0.974 30 10 GCEE C#CCOC1CN(C2(C(=O)O)C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 2378666430 MBSCKQZHLTYPHY-FSWDVZBNSA-N 380.441 0.942 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2C1=O 24382431 BEKKFDPMLCKFIV-UHFFFAOYSA-N 384.436 0.315 30 10 GCEE C=CCc1ccccc1OC[C@H](O)CN1CCN(CCS(C)(=O)=O)CC1 120977069 FVBKAHCSGDSKRT-GOSISDBHSA-N 382.526 0.817 30 10 GCEE Cc1cc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n[nH]1 187273992 FTHUIKXXQFVOOP-UHFFFAOYSA-N 398.471 0.357 30 10 GCEE COC(=O)[C@@]1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCOC1 278864261 RIBIZOSYJRQWIY-CYBMUJFWSA-N 389.227 0.931 30 10 GCEE N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]1C1CC1 349455873 RBZBUCYQPCLLSK-AWEZNQCLSA-N 394.478 0.897 30 10 GCEE N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 370339552 QFGZCRQUJTWIOI-HNNXBMFYSA-N 380.408 1.047 30 10 GCEE CO[C@@H]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 378023199 BVPXUAVMDXPUND-DJIMGWMZSA-N 393.465 0.631 30 10 GCEE CC(=O)N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 408355914 VMFMTKFBMHGNRN-MRXNPFEDSA-N 390.465 0.260 30 10 GCEE CN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCN(C2CC2)C1 410500254 WDUTUPLBXWGFIS-KRWDZBQOSA-N 382.468 0.297 30 10 GCEE CN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CCC(CO)CC1 410613951 CUHTXJURILUAEJ-UHFFFAOYSA-N 385.468 0.611 30 10 GCEE C=CCn1cc(CNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)nn1 425531272 LSMFRIQOQLWFRY-HNNXBMFYSA-N 384.440 0.943 30 10 GCEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc21 430373586 FPHUMHCCQPZGBK-UHFFFAOYSA-N 385.424 0.905 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](CC)CO)CC2)c1 443316419 WBEOGTNSLFTQLI-MRXNPFEDSA-N 381.498 0.680 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccn2C)CC1 459867448 RKACAGMXFZVEEQ-QGZVFWFLSA-N 387.484 0.135 30 10 GCEE Cn1c(CO)nnc1SCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 502848201 IKYADVYLCODPTD-GFCCVEGCSA-N 392.510 0.870 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)c1C#N 530466189 QYPKYMPFXPXFRE-XPKDYRNWSA-N 385.472 0.441 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)cc3F)CC2)n1 544863609 QUONWPZPSLBCLK-UHFFFAOYSA-N 396.382 0.479 30 10 GCEE C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 571550567 UMNGRVCNEBBAEV-QWHCGFSZSA-N 376.486 0.569 30 10 GCEE N#CC1(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 571906883 FFNGLKZRRJNXSL-ZIAGYGMSSA-N 382.420 0.442 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCO2)c1 574532800 SEDLULAFWRGONP-ZDUSSCGKSA-N 387.483 0.678 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](OC)C2)c1 575935585 ZJLDYMNKJHRXHD-ZDUSSCGKSA-N 387.483 0.630 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1)[C@H]1CCOC1 578380074 RHRAYLAYEQSBOJ-OLZOCXBDSA-N 387.483 0.534 30 10 GCEE CCC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 584361660 ZBDRNVPNMMTWPE-FWYOQMDTSA-N 399.494 0.580 30 10 GCEE CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2cc(C#N)n(C)c2)c1=O 588581372 DJUGHSDBQXIFNV-UHFFFAOYSA-N 394.504 0.734 30 10 GCEE N#CC1(CC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 590131780 JAPYSCWTXGJZLZ-CYBMUJFWSA-N 397.478 0.784 30 10 GCEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 592185662 PPNIGAUYQPXVNA-CQSZACIVSA-N 390.387 0.727 30 10 GCEE CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCOC2)cc1C#N 595125681 JYKKCLVUYCHULD-IBGZPJMESA-N 391.424 0.568 30 10 GCEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CN(C)C(=O)N3)c(C#N)c2N)cc1 596800376 BIRPLOXTBRYJOV-MRXNPFEDSA-N 381.440 0.707 30 10 GCEE CN1C2(CCC2)COC[C@]1(CO)CNC[C@H](O)COc1ccc(C#N)cc1 600753400 NWTXZWOTOQSFJI-FXAWDEMLSA-N 375.469 0.503 30 10 GCEE CO[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@](C)(CO)C1 601517384 GBCIPVYBDCYTTA-JXFKEZNVSA-N 386.452 0.205 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 659034447 OAUIAYQAYRBKAW-GOSISDBHSA-N 387.484 0.799 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)OCC)CC2)CC1 734263889 GFHBDOYHUPSTCW-UHFFFAOYSA-N 381.477 0.237 30 10 GCEE C#CCN(C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)[C@H]1CCS(=O)(=O)C1 741214012 SSFIZLQNPKSNCN-HOTGVXAUSA-N 383.514 0.713 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)OCCn3cc(C(=O)OC)nn3)cc2C1=O 774582813 HKNHYKUWGAEFJI-UHFFFAOYSA-N 384.348 0.704 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCC1CS(=O)(=O)C1 790655068 JDQRVTULYJQKEK-NSHDSACASA-N 386.451 0.203 30 10 GCEE COc1ncc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)c(C)n1 809175994 ITPQQTDKWLVVOW-UHFFFAOYSA-N 396.450 0.449 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nncn3C)CC2)c1 824297316 BXKLIMMXSHEORW-UHFFFAOYSA-N 387.465 0.575 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 828780890 BVINCFQWESYMNM-CVEARBPZSA-N 395.502 0.990 30 10 GCEE C#C[C@H](NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@@H]1CCCO1 831071323 DPPUCIMVRLJYBB-RYRKJORJSA-N 386.500 0.889 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)cc2C1=O 832110314 RINWIQZQAUWICD-UONOGXRCSA-N 388.445 0.975 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1 839596201 KNRPQGNGCUAHHG-CQSZACIVSA-N 379.438 0.174 30 10 GCEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OCC(=O)Nc1ccc(C#N)cc1 860004115 ZDUIEVFRAJAJNZ-UHFFFAOYSA-N 388.424 0.849 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)NC[C@]1(CO)COCCN1Cc1ccccc1 875914872 QGYDWLOLPKLNER-FPOVZHCZSA-N 389.496 0.978 30 10 GCEE C#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 907302037 HAHYKOUNKFCNQA-KRWDZBQOSA-N 382.507 0.551 30 10 GCEE C=C1[C@@H](C(=O)NC2(COC)CCOCC2)[C@H]1C(=O)NC1(COC)CCOCC1 908385470 KEBYFUBKYUCNAU-IYBDPMFKSA-N 396.484 0.412 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)OCCCS(=O)(=O)N(C)C)c1 909894059 ZNYJYTDCUQGWSO-UHFFFAOYSA-N 387.479 0.922 30 10 GCEE C#CC[C@H](COC)NC(=O)Cn1nc(Br)c(Br)n1 913348739 VOKWOFWTNXZHPW-SSDOTTSWSA-N 380.040 0.958 30 10 GCEE CS(=O)(=O)c1ccccc1S(=O)(=O)NCCNc1ccc(C#N)cn1 917879876 MFQNNDUWCUEPDE-UHFFFAOYSA-N 380.451 0.747 30 10 GCEE N#C[C@@]12CN(S(=O)(=O)Cc3ccc(F)cc3F)C[C@@H]1CS(=O)(=O)C2 921830013 JUZALQZCSZEGTJ-RISCZKNCSA-N 376.406 0.665 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 931890505 NAYMIPRQDIECRH-INIZCTEOSA-N 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C#CCN1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 159904873 ZLHAGVGVFQEQKV-UHFFFAOYSA-N 376.482 0.704 30 10 GCEE CCc1nsc(N2CCN(/C(=N\C)NC[C@H](C)N3CCOCC3)CC2)n1 261813850 SXOPRSXXJPHADP-AWEZNQCLSA-N 381.550 0.519 30 10 GCEE CC(C)NS(=O)(=O)[C@@H]1CCN(/C(=N/C2CCCC2)NCC(=O)N(C)C)C1 262311162 PRYCCJVWGFORLH-OAHLLOKOSA-N 387.550 0.365 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 268835561 LFITXVHXXHXPKB-QMTHXVAHSA-N 391.371 0.751 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cn3cc(C)cn3)on2)CC1 270055578 NNIQSWUCBRMFAR-UHFFFAOYSA-N 384.440 0.125 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)ccc1F 279050027 YWZDWSRTHFLMQR-QGZVFWFLSA-N 381.429 0.642 30 10 GCEE CN(C)S(=O)(=O)n1ccnc1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 279593872 OOYPKGTYONTTGH-KRWDZBQOSA-N 388.497 0.748 30 10 GCEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cc(C#N)ccn2)CC1 288167397 WLBDMAUWZXSXFP-UHFFFAOYSA-N 399.476 0.819 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@]2(CCOC2)O1 297691876 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N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(CCN3)CC2)CCN1Cc1ccccc1 423722092 JSALKOYSFCYSBZ-GOSISDBHSA-N 381.480 0.577 30 10 GCEE C=CCn1cc(CNC(=O)C(=O)Nc2cccc(N(C)C(=O)NCC)c2)nn1 425794805 CVGFSVFTQZJGOK-UHFFFAOYSA-N 385.428 0.885 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 425796775 SIUXVCIEQRRCCA-NHYWBVRUSA-N 390.392 0.906 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 425889932 NEJJEMADEOEDHM-CQDKDKBSSA-N 393.390 0.894 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1 430050567 KEWNUJFJYDAKPU-AWEZNQCLSA-N 388.472 0.239 30 10 GCEE C=CCNc1ncc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)s1 440301295 DAPDIMMDOYRCAK-YRRQLQLVSA-N 379.438 1.306 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C4CC4)C3)CC2)c(F)c1 460069189 APAWBDLACKMSFM-GOSISDBHSA-N 386.427 0.983 30 10 GCEE N#CCCN(CCC#N)C(=O)CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 464797458 GGSHBTJXYWQZQN-KRWDZBQOSA-N 375.473 0.746 30 10 GCEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(F)c1 489683583 RGWXNBZNISZXPA-KBUPBQIOSA-N 396.396 0.811 30 10 GCEE COC(=O)C(C)(C)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 494463915 HWYUAASISCXMSZ-KRWDZBQOSA-N 393.532 0.248 30 10 GCEE COC[C@H]1CCN(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 509414042 JCZOGILNKQUNPI-INIZCTEOSA-N 392.481 0.953 30 10 GCEE COC(=O)CN(CC#N)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 534871843 CFFUFZHYPGTIEV-UHFFFAOYSA-N 381.410 0.731 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 540473511 FXEDLGDKBJTLKP-ZDUSSCGKSA-N 387.483 0.044 30 10 GCEE Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 556286577 BHYXCPHIZTYLEU-MRXNPFEDSA-N 393.451 0.529 30 10 GCEE Cc1nccc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 556648611 HCZRXJOQMPCSLK-UHFFFAOYSA-N 380.452 0.863 30 10 GCEE C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 563073044 VTBQAWSBBBZARG-MAUKXSAKSA-N 385.468 0.367 30 10 GCEE CN(CC1(O)CCCC1)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 563898046 BXHXNFREHPUGRD-UHFFFAOYSA-N 387.483 0.414 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CO[C@@H](C)C2)c1 565433933 VYXTYUMQPRYTSZ-STQMWFEESA-N 387.483 0.676 30 10 GCEE C[C@@H](O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)C#N)c1 566487839 GUPMLABLEDRUJL-VXGBXAGGSA-N 375.472 0.268 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](O)CC2)c1 568255895 MBKIPLXVNHSBDW-CYBMUJFWSA-N 387.483 0.366 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 570299194 GABGMGIXBHGHML-LSDHHAIUSA-N 397.478 0.015 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 573220932 TWFDEAHFJGMARA-CQDKDKBSSA-N 387.483 0.459 30 10 GCEE CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 578924808 NXAAMCQJVJGUQV-UHFFFAOYSA-N 395.423 0.404 30 10 GCEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1 579495357 YFPUHLOZVGTEKY-UHFFFAOYSA-N 399.494 0.454 30 10 GCEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cncs2)c1=O 588524382 ZGPOFBXPRWRQAD-LLVKDONJSA-N 375.475 0.885 30 10 GCEE C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 593740008 GLQYZGOCSBRDAX-HNNXBMFYSA-N 385.468 0.469 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C3CCOCC3)C3CC3)CC2)c1 593932157 RLAVCMYKAYHZBM-LJQANCHMSA-N 397.479 0.923 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C(C)(C)O 594633946 ACUZNTSDNPXUBL-VXGBXAGGSA-N 389.499 0.657 30 10 GCEE C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)[C@H]1C 594635676 KVBMTHUHBYQKPQ-UWVGGRQHSA-N 378.501 0.817 30 10 GCEE C[C@H]1COC2(CCC2)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 595132273 OUBLOAQQPGRFSY-AWEZNQCLSA-N 394.435 1.307 30 10 GCEE CCOc1ccc([C@@H]2CCNC[C@@H]2NC(=O)NCCn2cnc(C#N)n2)cc1 595262371 FVHCRDALLSUJSG-IRXDYDNUSA-N 383.456 0.993 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 595951221 PPJCPGCIXLIWFN-CQDKDKBSSA-N 399.494 0.459 30 10 GCEE N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 600004841 KCIMKWHGQBVSRK-UHFFFAOYSA-N 395.423 0.841 30 10 GCEE CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCO1 600016208 NNZPXMYGCPYUNM-LBPRGKRZSA-N 379.804 0.307 30 10 GCEE N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 600084692 DBCBBVBODNCAIB-OAHLLOKOSA-N 385.449 0.970 30 10 GCEE CN1C2(CCC2)COC[C@]1(CO)CNCCS(=O)(=O)c1cccc(C#N)c1 600751603 CZKTVPBKKRZBEU-LJQANCHMSA-N 393.509 0.537 30 10 GCEE C#CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729266618 AICLKVHIALYKON-GFCCVEGCSA-N 381.410 0.664 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 732153463 HSEQRQZAMUEGMT-KRZJZYHWSA-N 386.383 0.821 30 10 GCEE CN(c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)S(C)(=O)=O 732677472 NZLNTXFJMIKONZ-QGZVFWFLSA-N 391.497 0.964 30 10 GCEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cn1 752844998 KXIBLUWCSOEVNG-RHSMWYFYSA-N 382.472 0.892 30 10 GCEE C=CC[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 756673196 XDQNKOAKXHTEAM-YJYMSZOUSA-N 375.425 0.824 30 10 GCEE C#CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 779502082 YLWUEXJDLUDPSI-NILFDRSVSA-N 394.474 0.340 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 783478251 BPNNQMLPMWZNQZ-HNNXBMFYSA-N 375.450 0.548 30 10 GCEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1CCOCC1=O 790741050 CKGGWPPXJDMUSO-UHFFFAOYSA-N 383.364 0.084 30 10 GCEE C=CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 795422292 IQWQMOJZRDUNBT-STQMWFEESA-N 376.475 0.728 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 812394249 YFTDFRCVIAFWFD-SOUVJXGZSA-N 397.501 0.105 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@H](C)[C@@H](OC)C2)n1 839368462 CVCPCNDWFLIRGW-RDJZCZTQSA-N 376.457 0.375 30 10 GCEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 841549786 DVMJBWHPVLSZLV-LLVKDONJSA-N 376.431 0.610 30 10 GCEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1OC 842685105 QIMSWKKXOSHANO-FZMZJTMJSA-N 381.410 0.385 30 10 GCEE C=CCNC(=O)NC(=O)CN1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1 844408858 JHWCIFWXWHECFB-ZIAGYGMSSA-N 384.477 0.860 30 10 GCEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1)[C@H]1CCCO1 848954475 GMJIGWRCWFXBJN-HZPDHXFCSA-N 397.478 0.290 30 10 GCEE C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)O)nn1 852958512 MNZHCDWCKYVIPV-WCBMZHEXSA-N 375.307 0.200 30 10 GCEE Cn1cc(-c2ccnc(C3CCN(C(=O)NCC(=O)NCC#N)CC3)n2)cn1 852984414 OZAQTKNNYNIYEQ-UHFFFAOYSA-N 382.428 0.406 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1cc[nH]n1 855344210 CMLKQUZRUCYVPY-AWEZNQCLSA-N 399.407 0.397 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3ccn(C)n3)c2C)CC1 857117786 TVSIERSYTIULIJ-UHFFFAOYSA-N 396.495 0.725 30 10 GCEE CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 861348486 FCUUHZPVYLZCFQ-QIIPPGSGSA-N 395.481 0.877 30 10 GCEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 863797391 LUBXVQNMACBZJZ-CABCVRRESA-N 382.486 0.582 30 10 GCEE Cn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Br 863934887 PPVFJJXERVVWAD-UHFFFAOYSA-N 379.174 0.014 30 10 GCEE C=C(Cl)C[C@H]1NC(=O)N(Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1=O 865299494 WLUDVVHYPAAMGK-CQSZACIVSA-N 390.827 0.822 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 875006098 FPNKILIYGIBVCK-IBGZPJMESA-N 387.480 0.680 30 10 GCEE C#CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)C1CSC1 878912638 JCJMDEIDXPXRTQ-LJQANCHMSA-N 386.477 0.926 30 10 GCEE CCON(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 879794445 CQAWUMJRKOJZHP-UHFFFAOYSA-N 380.470 0.665 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCNCC(C)(C)C2)n1 884970795 SJNMJCMVZOXHLD-MRXNPFEDSA-N 389.500 0.386 30 10 GCEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C1CCN(C)CC1 886575642 CRPMPDPDRWVUHF-MRXNPFEDSA-N 387.484 0.438 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC3(CCC3)CO2)CC1 896514434 WTIOXQPTPFIYJX-HNNXBMFYSA-N 384.502 0.131 30 10 GCEE Cn1cc(CC2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 899017540 IYYTZHMMFSVRJA-UHFFFAOYSA-N 387.465 0.550 30 10 GCEE C=C1[C@@H](C(=O)N(C)[C@H](C)C[S@@](C)=O)[C@H]1C(=O)N(C)[C@H](C)C[S@](C)=O 907342810 SZSPGLRKVOHEBE-NUBLKFOQSA-N 376.544 0.239 30 10 GCEE C=C1[C@@H](C(=O)N2CC[C@@]3(CCN(C)C3)C2)[C@H]1C(=O)N1CC[C@]2(CCN(C)C2)C1 908364147 XMARYZHWXKTKBD-VVIORFSUSA-N 386.540 0.897 30 10 GCEE C#CCN1CCC(NC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 928659937 FAMMSSMJBVVQMD-FQEVSTJZSA-N 395.500 0.853 30 10 GCEE C#CC1(O)CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 931154549 XINQFLQWIJSXNB-QGZVFWFLSA-N 399.447 0.859 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1OC 941976066 FOCTUQYCORCCCN-LHHMISFZSA-N 376.457 0.515 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCCCc1nnc(SC)n1CC(C)C 1118060742 BOOSTYMXAJRHAR-AWEZNQCLSA-N 393.513 0.565 30 10 GCEE C#CCSCCNC(=O)C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 1119139420 RFSQIWALGAGRAC-SFHVURJKSA-N 389.521 0.795 30 10 GCEE C#CC[C@H](COC)NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1131945383 SVKQFWQKMIXYEU-CYBMUJFWSA-N 387.479 0.273 30 10 GCEE 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375.429 0.072 30 10 GCEE C=CCn1c(CC2C[C@@H]3CC[C@H](C2)N3C)nnc1N1CCO[C@@H](CC(N)=O)C1 1262996244 YHVBBBABRVBJIO-HMQMGEFJSA-N 388.516 0.960 30 10 GCEE COc1ccc(C#N)cc1CNCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1272212896 GIUMQILZQDOOTB-YSDSKTICSA-N 385.464 0.901 30 10 GCEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC[C@@H]1c1ccccc1 1282232628 DLRNOZOSLPRFCX-ZJPYXAASSA-N 385.464 0.811 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC1CC1 1286461949 ZZABPGKHKMHDOG-UHFFFAOYSA-N 388.472 0.126 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1286464652 DEKILQGOBOSQKR-CQSZACIVSA-N 376.461 0.230 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1286755978 FNEPYUSIQHTLGY-KGLIPLIRSA-N 379.486 0.842 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)C)C1 1286788136 QOSIVNKQWNGIOE-CABCVRRESA-N 395.529 0.965 30 10 GCEE C=CCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnc(O)nc1O 1292171866 RVXYEVJYOVQHFA-QCNOEVLYSA-N 377.401 0.126 30 10 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C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 743922937 ZUEPYMBFMVXIHW-GFCCVEGCSA-N 382.413 0.669 30 10 GCEE CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 765984929 CZYNWESPTJMXEA-GYXQTMOZSA-N 376.335 0.332 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cn(C)nn2)c1 783043980 BMCIFIBGIGQITD-HKWRFOASSA-N 391.457 0.950 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCS(=O)(=O)C1 783480691 SLEQDUVSRVWYIW-CYBMUJFWSA-N 379.394 0.491 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(CC(=O)OCC)c1 795804858 DAISQXASNLIKKX-OAHLLOKOSA-N 399.490 0.603 30 10 GCEE Cn1c(N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 817129319 GHABGBGUARQAQC-NWDGAFQWSA-N 375.429 0.544 30 10 GCEE C=CCn1c(-c2cccnc2)nn(CN2CCN(CC(N)=O)C(=O)C2)c1=S 840158876 FPTFJVNISOSKKJ-UHFFFAOYSA-N 387.469 0.249 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 850607279 WJMMTXOWUQPBFG-UHFFFAOYSA-N 384.396 0.404 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 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0.729 30 10 GCEE C=CCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1121607269 LARXDXNNJAMTEF-UWVAXJGDSA-N 390.532 0.677 30 10 GCEE C=C(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1135931621 WVKPFDDMZQGQHU-UHFFFAOYSA-N 394.497 0.717 30 10 GCEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC[C@](O)(CC#N)C3)nn2)C1 1143190008 GAKWGAVYGJMQDS-QGZVFWFLSA-N 376.417 0.561 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1 1157885874 WAPZBTBGSPWXAH-CYBMUJFWSA-N 384.479 0.234 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)C1=O 1175447391 ONXBEWRDEMUUGN-UHFFFAOYSA-N 383.364 0.992 30 10 GCEE C#C[C@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)C1CCOCC1 1253354134 GZIQZLPSSSAGAC-KRWDZBQOSA-N 379.482 0.994 30 10 GCEE N#Cc1ccc(C2=CCN(C(=O)C(=O)NCCC3CS(=O)(=O)C3)CC2)cc1 1261193677 DMAXPXRBULNECW-UHFFFAOYSA-N 387.461 0.725 30 10 GCEE CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261892281 CZZVTPZRJFGVCE-OAHLLOKOSA-N 390.465 0.368 30 10 GCEE C[C@H]1CCCCN1CCCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261922274 RQHLTSQHANSFHP-FUHWJXTLSA-N 375.517 0.956 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1nnc2n1CCCCC2)C1CCN(C)CC1 1262224417 VTSVZCNXBAQVHR-UHFFFAOYSA-N 386.500 0.219 30 10 GCEE C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1263297013 ZSARHWLMXWJHDY-RRFJBIMHSA-N 393.513 0.671 30 10 GCEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCS1(=O)=O 1286731870 WMVUAIJONASFAZ-GJZGRUSLSA-N 399.517 0.660 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286784548 LJXLTLRUCRWXJE-OAHLLOKOSA-N 395.467 0.770 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCOC1 1286786565 UPDSGIDSHBYUFT-KGLIPLIRSA-N 376.461 0.394 30 10 GCEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1288528923 CQQXOVNTDSKCTE-LBTNJELSSA-N 376.461 0.679 30 10 GCEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)cs1 1290388251 GCOWPBNXCZRKOX-NSHDSACASA-N 397.530 0.779 30 10 GCEE 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382.419 0.960 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1358888403 MAVZKEQKBVTNRJ-LSDHHAIUSA-N 375.473 0.912 30 10 GCEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1358910936 GBPYELZTYOOGPW-CABCVRRESA-N 385.472 0.589 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC(OCC)C1 1359231108 NXIAXEVCLBVUCG-FUJMWEONSA-N 387.506 0.441 30 10 GCEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OCC)CCCC1)c1cc[nH]n1 1442182811 FHRKMARKFXMGOW-UHFFFAOYSA-N 380.401 0.686 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)c1cn(C)nn1 1452138792 CVMOYFSJCHSZAP-LLVKDONJSA-N 376.442 0.405 30 10 GCEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NOc1cccc(C#N)c1 1454682089 JWNPXBWCJVAAJX-LLVKDONJSA-N 377.426 0.686 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1470887921 HJIIHNFPLSXIDX-RWMBFGLXSA-N 383.445 0.476 30 10 GCEE CN(C)S(=O)(=O)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1471351710 GQDCLGJRRCOGJS-CQSZACIVSA-N 393.469 0.540 30 10 GCEE 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C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCN2CCOCC2)nc1 1522180727 BMTDOWINKNENPF-NEWSRXKRSA-N 382.464 0.647 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCC(CC(=O)NC)CC1 1524329181 DPYIGGNKILMADP-HOTGVXAUSA-N 376.505 0.944 30 10 GCEE N#C[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1cccc(C(F)(F)F)c1 1537848861 JZBNKUILUBWMSW-MNOVXSKESA-N 375.328 0.299 30 10 GCEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1540862300 YCLXOXSOBQQCAJ-UHFFFAOYSA-N 392.460 0.108 30 10 GCEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cnccn1 1540872660 WRCFPRLTNCEQIT-UHFFFAOYSA-N 378.440 0.993 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C1 1540890146 APAVCICMJWJOFZ-RYUDHWBXSA-N 398.414 0.392 30 10 GCEE CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N 1541111003 BXUPVQHVASPCSU-ZDUSSCGKSA-N 394.505 0.602 30 10 GCEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nncn1C 1544140619 JBWNYGBAEITXOQ-FZMZJTMJSA-N 381.396 0.769 30 10 GCEE 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390.444 0.566 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC 1748650794 DVMBYAPYEPIAGV-GFCCVEGCSA-N 392.441 0.860 30 10 GCEE C#CCN(c1nnc(CC)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1748817380 JUEMZWUXEZLJCS-HNNXBMFYSA-N 397.570 0.516 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C(C)C)CCO1 1757791621 GBSUGWGBEFICNA-BDXSIMOUSA-N 377.485 0.384 30 10 GCEE C=C[C@H](CC)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1757813118 HFNBCGWCFNUFDS-FPCVCCKLSA-N 375.473 0.822 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760523079 LTYCCAMTXCGPEA-HNNXBMFYSA-N 385.472 0.928 30 10 GCEE N#Cc1cn(CCN2CCN(c3cc(-n4cccc4)ncn3)CC2)c(=O)nc1O 1851381954 ZTWVLZLFJZEEFU-UHFFFAOYSA-N 392.423 0.223 30 10 GCEE C[C@@H](C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O)[C@H]1CCOC1 1854418958 PDCMFVFSJHRQBZ-KGLIPLIRSA-N 383.470 0.496 30 10 GCEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1854689427 YRFQLYQNPKHVHJ-MNOVXSKESA-N 393.337 0.666 30 10 GCEE 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0.305 30 10 GCEE CN(C)CC#CCNC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188810840 ZYCAMKLSJNSGAI-KGLIPLIRSA-N 382.461 0.703 30 10 GCEE CC1(C)OB(c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2)OC1(C)C 2197933429 COXHXHWYINLLMN-GFCCVEGCSA-N 381.263 0.689 30 10 GCEE CO[C@@H]1CN(C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]1OC 2205527873 VQYNTSRGRJTVDE-XBFCOCLRSA-N 384.429 0.619 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1OCCO1 2247876342 NIPXUEJYSOZUAN-UHFFFAOYSA-N 383.275 0.945 30 10 GCEE Cn1nc(C(=O)NC[C@@H](O)C(F)F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267184629 NULFEVOUDPCRST-SSDOTTSWSA-N 379.600 0.729 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCS1 2267355072 SDDLHTVSXNLJJM-JTQLQIEISA-N 388.324 0.240 30 10 GCEE C[C@@H](C(F)F)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267361897 JVAOVXIQCBOWEO-QMMMGPOBSA-N 380.226 0.388 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(N)=O)CCC3)s2)OC1(C)C 2267368795 OCEYMBKNPXHRRC-UHFFFAOYSA-N 386.304 0.734 30 10 GCEE 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CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)c1ccc(C#N)cc1F 2358558909 ZIQRKMUKZKZBQW-KFWWJZLASA-N 379.388 0.768 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@@H](O)[C@H]4O)ns2)OC1(C)C 2359279027 OJTHHOQLQXJFRR-LEKOTGGOSA-N 380.275 0.541 30 10 GCEE C#C[C@@H](C)N1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2362094248 MKPVZWOEJFMLCZ-KDOFPFPSSA-N 399.513 0.234 30 10 GCEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)N1CCN(CC#N)CC1)CO2 2368925282 HAJXDGFLJYGCOR-CLCXKQKWSA-N 378.473 0.974 30 10 GCEE CC#CCN1CCN([C@@]2(C(=O)O)CCOC[C@H]2NC(=O)OC(C)(C)C)CC1 2378183360 ZDLRYLYZRAZVGE-BEFAXECRSA-N 381.473 0.764 30 10 GCEE O=C(N[C@H]1CN([C@H](C(=O)O)c2ccc(O)cc2)C1=O)/C(=N/O)c1ccc(O)cc1 14614223 NMMOYDKOFASOBV-GCMUKRPSSA-N 399.359 0.429 30 10 GCEE in-vitro Cc1nc(CN2CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)n[nH]1 118681350 SYTOEFVRWGLPQJ-UHFFFAOYSA-N 383.456 0.567 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 152143604 SFEAYKRMOXGVRI-ZFWWWQNUSA-N 387.465 0.975 30 10 GCEE C#CCN1CCN(C(=O)C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 177253047 CAHCTLXLDWBYTL-KRWDZBQOSA-N 384.480 0.796 30 10 GCEE Cc1noc(C)c1S(=O)(=O)NCCN(c1ccccc1C#N)S(C)(=O)=O 242842814 FXAJKWIWGISPIZ-UHFFFAOYSA-N 398.466 0.908 30 10 GCEE C=CCn1c(C)nnc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 253572998 QWIYZTMLIFTCCD-UHFFFAOYSA-N 380.518 0.533 30 10 GCEE C=CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 273454061 GSECYTULWFMJEF-CQSZACIVSA-N 384.454 0.383 30 10 GCEE CCOC(=O)CO/N=C(/C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1cc[nH]n1 283384723 DKUGFJNJLQZQCP-SPZKXHQHSA-N 377.401 0.011 30 10 GCEE C[C@H](CN1CCN(C)CC1)N/C(O)=N/C[C@@H]1C[C@H](F)CN1c1cccnn1 329928635 YBYWAAVYYLSUKB-PMPSAXMXSA-N 379.484 0.533 30 10 GCEE CCS(=O)(=O)N1CC(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 333346588 UUSKCNQVVWPBPN-UHFFFAOYSA-N 378.454 0.612 30 10 GCEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(N)=O)C(=O)C1 414547541 ZXGAWOPXVAMYEU-UHFFFAOYSA-N 398.467 0.610 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCNC4)C3)CC2)n1 423430483 MRPYFYQRFWPHKS-SJORKVTESA-N 396.495 0.450 30 10 GCEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 439598635 YRIUMGQTQKKLBZ-INIZCTEOSA-N 393.451 1.081 30 10 GCEE Cc1ccncc1CN(C)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 459912587 XGUPBZBRUSZCQV-UHFFFAOYSA-N 378.436 0.964 30 10 GCEE CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462072674 ASRCJBQXWRXHEZ-UHFFFAOYSA-N 382.428 0.425 30 10 GCEE CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481215879 RODWUVLMOLJMIA-ZFWWWQNUSA-N 392.481 0.742 30 10 GCEE Cc1ncc(S(=O)(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1C#N 489243293 CGAQUYYSAJBSRV-MRXNPFEDSA-N 379.486 0.483 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 492396618 QAAMMKDKXXMDMT-UHFFFAOYSA-N 394.497 0.427 30 10 GCEE CCN(C(=O)CN1CCN(c2cccc(C#N)n2)CC1)[C@H]1CCS(=O)(=O)C1 546919467 YSINFJMYQDFKNY-INIZCTEOSA-N 391.497 0.111 30 10 GCEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2nn(C)c(C)c2Cl)c1=O 567599803 BFSINJAHPNAMQB-UHFFFAOYSA-N 377.857 0.040 30 10 GCEE CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1cnc2c(cnn2C)c1=O 568807487 FTEAMROEXNJNSL-UHFFFAOYSA-N 380.408 0.677 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4cc(N)ccc43)CC2)nc1 571345014 KXWANKNJAPCNBG-GOSISDBHSA-N 390.447 0.988 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COCC2(C)C)cc1 577191112 ATOFQRHVOMXZRX-SMDDNHRTSA-N 387.483 0.580 30 10 GCEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)n(C)c2)c1=O 588581442 XMXUXCSHDVTBGV-UHFFFAOYSA-N 395.488 0.702 30 10 GCEE N#CCCn1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)n1 593716275 SLRAICYPRGFYAT-UHFFFAOYSA-N 391.334 1.416 30 10 GCEE CS(=O)(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C(F)(F)F 594807723 NQOHBLWPYOLRPT-GHMZBOCLSA-N 383.373 0.549 30 10 GCEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)Cc3ccc(CC#N)cc3)C[C@@H]12 594883762 GWKGJJSMGPRGNQ-XHSDSOJGSA-N 384.479 0.326 30 10 GCEE Cc1cncc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 595127471 OGAGDKYTFODEQF-UHFFFAOYSA-N 379.424 0.059 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@]2(C(=O)OC(C)(C)C)CCOC2)CC1 595745947 YCZNXXBRAQTMBD-OXJNMPFZSA-N 394.516 0.769 30 10 GCEE CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C)C2 595962389 QNRXBNSTNQFWJF-UHFFFAOYSA-N 398.510 0.923 30 10 GCEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2nccnn2)CC1 600182975 BJFGICDOFDDZHE-UHFFFAOYSA-N 391.439 0.684 30 10 GCEE CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCc3c(CC#N)cccc3C2)C1 601475757 OKUBMFSNXASIIC-AWEZNQCLSA-N 397.522 0.722 30 10 GCEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 643839987 BIYHQFKKDZHHBS-QGZVFWFLSA-N 399.517 0.588 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1nnc2ccccc2c1=O 734292109 CCHNBHVWEZOCBX-UHFFFAOYSA-N 383.389 0.477 30 10 GCEE CN1CCN(c2ncccc2CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 742398009 VVLQSGSBPKGTJE-UHFFFAOYSA-N 386.481 0.965 30 10 GCEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn3ccccc23)c1=O 758076408 HIVFUNWVANODGN-UHFFFAOYSA-N 391.456 0.220 30 10 GCEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(C4CC4)[C@H](C#N)C3)C2=O)C(C)(C)O1 764987668 BLMNRKQDVKFXIE-KUHUBIRLSA-N 375.473 0.884 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC1 779392018 YAYLVGMYTPSMLH-OAHLLOKOSA-N 397.520 0.919 30 10 GCEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N2CCC3(CC2)OCCO3)n1 788695535 RYKKVBRSCVPULQ-UHFFFAOYSA-N 398.485 0.048 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CC2)c1 807049731 XTCMLNIHXZRVGL-ZHZULCJRSA-N 394.453 0.079 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CC[C@@]2(c2ccccc2)C3)CC1 828751820 XXUPNXRTQLNVAV-HQRMLTQVSA-N 387.505 0.966 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c(C)c(C)ccc23)CC1 828751875 YZVPUFYGGRJBHB-UHFFFAOYSA-N 375.454 0.177 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)cc2C1=O 830065643 GRSVOFFAVBUTRG-HZPDHXFCSA-N 383.404 0.588 30 10 GCEE O=C1OCCN1C[C@H]1CCN(CC#CCN2CC[C@@H](CN3CCOC3=O)C2)C1 830124640 JXYBOJXCJMXMDT-HDICACEKSA-N 390.484 0.538 30 10 GCEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2conc2C)c1=O 839211085 CXKAUMBIVUKNHG-UHFFFAOYSA-N 390.465 0.128 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 840560341 XTYZBFCIYXITSA-GFCCVEGCSA-N 378.454 0.241 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC)n1 846740936 DCPJECNCBIVWAX-IAGOWNOFSA-N 376.457 0.565 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)N1CCc2nnc(-c3cnn(C)c3)cc2C1 853979648 SRTKTRDQSVDVPT-UHFFFAOYSA-N 390.469 0.546 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(OCC)CCOCC1 858912742 PGCNPWTXOZCPJB-AWEZNQCLSA-N 379.500 0.024 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 867342756 CLUNXPNOXJVIMF-APBUJDDRSA-N 381.273 0.734 30 10 GCEE C=CCOc1ccc(CNC(=O)NC[C@]23COCCN2C(=O)COC3)cc1 868599123 YGZLXUZSSACCIL-LJQANCHMSA-N 375.425 0.678 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 875608450 WKZDZMBCUNATFK-GXTWGEPZSA-N 376.409 0.234 30 10 GCEE C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 876550921 HOAYGQQKGBQEFH-OAHLLOKOSA-N 387.889 0.998 30 10 GCEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 880658103 TVBUWJHFIKTZII-KRWDZBQOSA-N 376.482 0.326 30 10 GCEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 899112053 QNMUAGYVUZTLQW-UHFFFAOYSA-N 384.479 0.369 30 10 GCEE C=C(C)Cn1c(C2CCOCC2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 909281339 IIHNKEOEHFHNBC-XHSDSOJGSA-N 396.513 0.996 30 10 GCEE C[C@H]1CN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CC#N 911705201 YSHIUFBHJRTPQU-OKILXGFUSA-N 389.481 0.512 30 10 GCEE C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C1CSC1 912372029 VLEQQEVIRYLLHF-UHFFFAOYSA-N 397.522 0.456 30 10 GCEE C#C[C@@H](NC(=O)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCO1 930470001 MBJNTSXURUHCGW-KLHDSHLOSA-N 393.484 0.903 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1OC 941976746 QNNRPFRYRMOIOA-LHHMISFZSA-N 376.457 0.515 30 10 GCEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)n1 1116832186 XZUHMVOKVCOWLL-GFCCVEGCSA-N 395.485 0.715 30 10 GCEE N#CC1CCC(CNC(=O)C(=O)NCCN2C(=O)COc3ccccc32)CC1 1117182109 IZUZDIHTWYMABK-UHFFFAOYSA-N 384.436 0.974 30 10 GCEE 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C=CCn1c([C@@H]2COCCN2C)nnc1N1CCO[C@@](C)(C(=O)OCC)C1 1262942886 ARWVBVJAAYYDQP-KBXCAEBGSA-N 379.461 0.626 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N[C@@H]2C(F)(F)F)nnc1N(C)CCNC(C)=O 1262946891 ZXEBCRIXOFLKAA-YPMHNXCESA-N 388.394 0.961 30 10 GCEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ncnn1C 1271547888 DRBUMMSCPOZIGS-FZMZJTMJSA-N 381.396 0.769 30 10 GCEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286348827 AJVPCLRJMPDRHB-KSSFIOAISA-N 391.497 0.310 30 10 GCEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1286370501 MNQOGGMRINMGPL-CYBMUJFWSA-N 375.458 0.229 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)OC 1286419915 HYDHZQDCAWWFBF-CQSZACIVSA-N 381.502 0.776 30 10 GCEE N#Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)ccn1 1297369438 HCXGQRNKGKYTNG-FUHWJXTLSA-N 382.395 0.913 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1300466649 ZLJVSJZYYXJFLM-KBPBESRZSA-N 399.542 0.434 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 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C#CCSCCNC(=O)C(=O)N1CC[C@H](c2ncc(C(=O)OC)s2)C1 1333356587 OWQJVOOKVREDPP-NSHDSACASA-N 381.479 0.728 30 10 GCEE C#CC[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 1334357449 UNWSLNJSTSRYSZ-CQDIZWNASA-N 382.482 0.940 30 10 GCEE C#CCN(c1nnc(C[C@H]2CCNC(=O)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1339657697 RTMRWCXNRFWRBZ-HUUCEWRRSA-N 391.497 0.160 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCC(OCCOC)CC1 1342201541 ASDQZTMSZVMHCD-HNNXBMFYSA-N 399.517 0.850 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1O 1343413461 NKQAQPGBYGJJCZ-DMUMMCEESA-N 388.464 0.872 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H]1CCCO1 1345389645 LVILPLHNTLBHRA-BBWFWOEESA-N 377.489 0.978 30 10 GCEE COCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)nn1 1347401783 FCGPBJOZTZOBFO-BZPMIXESSA-N 378.458 0.043 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 1349572561 CMZCCTHKMNYSGY-JCNLHEQBSA-N 375.469 0.392 30 10 GCEE C#CCN(C(=O)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21)C1CCN(C)CC1 1351114059 VUYNJDRPQCCGDP-KRWDZBQOSA-N 382.464 0.785 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnnn2Cc2nn(C)cc2Cl)n1 1355767886 ZDPOTPBDLCIXIR-UHFFFAOYSA-N 389.851 0.591 30 10 GCEE C#CCOCCC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1356699663 OCLAXTYUFHUOJH-KURKYZTESA-N 377.485 0.196 30 10 GCEE C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1357179251 SFUPKSUWFGKJPY-XQLPTFJDSA-N 394.501 0.085 30 10 GCEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCS(=O)(=O)C1 1358970205 IJANPFQXDCZHOI-JKSUJKDBSA-N 394.497 0.510 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCc2nccn2C1 1358977847 YASAPIXSKWQGJT-HOTGVXAUSA-N 377.452 0.761 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358977964 AQTJFIOWFAUNBX-JKSUJKDBSA-N 391.497 0.136 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCNC(=O)[C@H]1CC 1359300005 RIAGQKQUHUPSCO-ZIAGYGMSSA-N 376.461 0.537 30 10 GCEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1[nH]c2ccccc2c1C#N 1440954366 PWFGVWQSUXLYLV-LBPRGKRZSA-N 388.449 0.805 30 10 GCEE Cn1c(=O)nc(O)c2nc(CCC(=O)N3CC(Nc4cccc(C#N)c4)C3)[nH]c21 1454242552 AONPHOIUKGSNAJ-UHFFFAOYSA-N 393.407 0.489 30 10 GCEE C=CCCC[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)OC 1455832689 CYSORCUUNPMOTO-KBMXLJTQSA-N 392.456 0.723 30 10 GCEE CN(CCCNC(=O)CN1CCC(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1473672064 GHFKAHGJVZMCCY-UHFFFAOYSA-N 393.513 0.530 30 10 GCEE CNC(=O)C1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 1473801935 MGVCEWLMWPJNJX-UHFFFAOYSA-N 382.424 0.567 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc2ccccc2n1 1490659222 HRADXLYICSRIIK-COXVUDFISA-N 379.420 0.926 30 10 GCEE C#CCO[C@@H](C)C(=O)NCCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CC1 1493073296 ZKMYRORMSXMKDV-UOVPBQLFSA-N 378.469 0.574 30 10 GCEE Cn1nnc(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)n1 1503687102 AHZHXEDDMYGEPG-UHFFFAOYSA-N 384.448 0.102 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC(=O)N1CCOCC1 1507536360 CNOCFGRSBBDNBA-MRXNPFEDSA-N 382.468 0.971 30 10 GCEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N(C)C)CC1 1507876324 BYOCOICMFIMXAN-UHFFFAOYSA-N 396.517 0.562 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1507983528 QRAAEYBTRUPPOL-AWEZNQCLSA-N 395.489 0.199 30 10 GCEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1508057903 LDZTWHBFNFPALX-UHFFFAOYSA-N 388.428 0.487 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508084912 DATOHICAHVJGCN-KKUMJFAQSA-N 387.488 0.204 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1515911178 CNFITKIFWIDQIC-VKJFTORMSA-N 395.529 0.728 30 10 GCEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1519048443 DHVPUBCSUCMWSS-UHFFFAOYSA-N 397.483 0.721 30 10 GCEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1519279344 SWMVUDMSJVLYDZ-FSZRXZPDSA-N 397.451 0.984 30 10 GCEE CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1519599450 JPNBSHSVINDDJG-AWEZNQCLSA-N 382.490 0.604 30 10 GCEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)NC 1539025732 MAEAFXAWTUUVEY-ZDUSSCGKSA-N 379.490 0.147 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC(C)C 1539284632 RZSQWJHIBVNORM-WMZOPIPTSA-N 387.484 0.990 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2C)CC1 1539445714 CUIDHMNERCQQDM-ZACQAIPSSA-N 386.500 0.657 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2CCOC2=O)CC1 1539445955 LVOVAXDPIUGIEU-UHFFFAOYSA-N 396.455 0.333 30 10 GCEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1539669090 KYQHTGZHCVDNDY-AWEZNQCLSA-N 379.490 0.874 30 10 GCEE C=CCC1(O)CN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 1558316928 LUSUCSWFPBLLTG-UHFFFAOYSA-N 381.385 0.946 30 10 GCEE C=CCC1(O)CN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 1558317952 WAVUQCFCCDRHGO-CGQZWFTASA-N 383.448 0.939 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1561602614 VVFMBTVVCUWHBK-IKGGRYGDSA-N 380.466 0.995 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1n[nH]c2ccccc12 1574587273 DFSBEYVZVKVAJT-WQVCFCJDSA-N 379.420 0.564 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1587978969 FILJOUAZYXJGJJ-HNNXBMFYSA-N 376.424 0.928 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(CC3CCCC3)c2C)CC1 1588199202 JAJPNZQBUQWCMK-UHFFFAOYSA-N 394.501 0.002 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1588228605 HOJYDVYCRMAURI-INIZCTEOSA-N 386.481 0.609 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)C)CC1 1588962171 XLUJKVFPTXQVRT-UHFFFAOYSA-N 384.484 0.942 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1594962619 MVKGQTJIMYBDCD-CABCVRRESA-N 399.517 0.660 30 10 GCEE N#Cc1c(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cccc1OC(F)(F)F 1597053445 MNIZLNRBQUFLIU-VIFPVBQESA-N 377.300 0.309 30 10 GCEE C#CCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)C1CCN(C)CC1 1597349368 SUTYCMVQJHHPKV-UHFFFAOYSA-N 375.429 0.250 30 10 GCEE N#Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1F 1614853328 IKDXDFQSYUWKEB-WFASDCNBSA-N 385.392 0.657 30 10 GCEE O=C(Cn1ccc(Br)cc1=O)NCCN/C(O)=C1/N=CC=CC1=O 1627264687 GZJJMDIUTNNOLZ-PFONDFGASA-N 395.213 0.253 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)C1=O 1627791010 WSYIZNPDSQUXRV-INIZCTEOSA-N 395.419 0.572 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)[C@@H]2CCCOC2)s1 1629919528 SXBLSWXBSFPHDP-OCCSQVGLSA-N 388.511 0.659 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccn1CCN1CCOCC1 1631920802 HSZIKYAPLUUNNV-UHFFFAOYSA-N 385.472 0.702 30 10 GCEE O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCN(O)C1=O)C1CCCCC1 1641520701 DGTWTIZGZXDNDL-CABCVRRESA-N 377.445 0.514 30 10 GCEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(NC3CCOCC3)CC2)CC1 1644488915 HCQDQGHTGAOXKK-FQEVSTJZSA-N 391.560 0.912 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3ncon3)C2)cc1 1645025385 HNIDYWGDYUPVBB-CYBMUJFWSA-N 375.410 0.626 30 10 GCEE CCC[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1645668542 ABWUATUXMZKVCX-WCQYABFASA-N 381.454 0.962 30 10 GCEE N#C[C@]1(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC12CCCC2 1648279863 PJYBITZJSRWELO-YWDZKUMVSA-N 379.482 0.788 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)c1 1652552080 IJWXTGSEGXMFDL-GXTWGEPZSA-N 386.495 0.846 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC3CCC3)CC2)cc1 1653360535 GKERDLMEBIKAQD-UHFFFAOYSA-N 376.482 0.970 30 10 GCEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N(CCC#N)c1cccc(C)c1C 1655005101 MCXUEDMKIVEHSM-KRWDZBQOSA-N 386.452 0.866 30 10 GCEE CCN(C[C@@H](C)C#N)C(=O)CN1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1655500165 QSUZDVFEZCNGGT-AWEZNQCLSA-N 393.488 0.416 30 10 GCEE C=CCOCCCNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1674464627 OPILPJXTLXXLDY-UUCFBXCCSA-N 388.486 0.777 30 10 GCEE COc1ccc2c(c1)OC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)C2 1679802586 HJVPTSQWIBRIEX-ZDUSSCGKSA-N 385.380 0.132 30 10 GCEE C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(C(=O)N(C)C)CC2)nc1 1686063009 QFAWFOFTLWSKPJ-PVAVHDDUSA-N 380.448 0.793 30 10 GCEE CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1OCC 1691325512 QCUFKLQDYIGIHL-YSTOQKLRSA-N 393.528 0.343 30 10 GCEE CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1696938826 PMJYYDZFDJNLNE-CYBMUJFWSA-N 399.455 0.892 30 10 GCEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705652764 MHUFUGVNKAZZQA-CYBMUJFWSA-N 378.502 0.450 30 10 GCEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705837631 JLJQDSCXWFNCBQ-SFHVURJKSA-N 387.465 0.989 30 10 GCEE C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1714172355 OCQGHXMCOADGMR-MPSKNJJJSA-N 376.457 0.001 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1c1cnn(C)c1 1719477967 UVERBARXEBDGMA-XDNAFOTISA-N 390.484 0.847 30 10 GCEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1722386998 OTKUVRGLQWXPAA-UHFFFAOYSA-N 398.511 0.584 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnnn1C 1722403488 SQWXGEKBTAJWRI-RDJZCZTQSA-N 383.456 0.642 30 10 GCEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)CC 1722498844 ALQAMZKPOUYLAR-UHFFFAOYSA-N 398.533 0.856 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCN(C)C(C)=O)C[C@H]21 1735997253 DFLMGGHQPWRQRQ-TVFCKZIOSA-N 377.485 0.895 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)CNC(C)=O 1736566737 XZNVBECEJFXLHE-MTSZKFMLSA-N 377.485 0.988 30 10 GCEE C#Cc1ccc(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)cn1 1739074803 MJGQVGMBLMZLPM-QKDSSNGWSA-N 383.448 0.378 30 10 GCEE C=CCC1(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H](OC)C2)CCC1 1739593477 IQGMYOOVMXZBOR-QKPAOTATSA-N 377.485 0.976 30 10 GCEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1740601210 SSIBSCOTGAKNEU-ZFWWWQNUSA-N 389.481 0.961 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1740867970 AUHFKOFLJTWZBG-OLZOCXBDSA-N 397.505 0.068 30 10 GCEE CN1C[C@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1748046120 RTJYGQAEPOANNS-ZNZDAUKMSA-N 385.472 0.838 30 10 GCEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1749496396 NKLGBUQTUIAKAS-MRXNPFEDSA-N 397.526 0.806 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](OCCOC)C1 1749682943 DOINUCMHBBTEQQ-HUUCEWRRSA-N 379.461 0.674 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1760117862 VFCKCSVZOGXPFO-KGLIPLIRSA-N 391.501 0.399 30 10 GCEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760521963 IUFZGZWOKLVNOB-IAGOWNOFSA-N 390.532 0.936 30 10 GCEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1767843627 DTBNFISJDSHVQJ-CYBMUJFWSA-N 378.330 0.935 30 10 GCEE C=CCN1CCN(C(=O)c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)CC1 1848447412 VQBBXCDXCGROQR-UHFFFAOYSA-N 394.435 0.518 30 10 GCEE Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)NCC#CCN2CCOCC2)c1 1850078148 ILODBRQKZBHJQC-QGZVFWFLSA-N 393.509 0.422 30 10 GCEE CN(C)CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 1851663413 GGJMNILRUFAHOM-UHFFFAOYSA-N 381.523 0.719 30 10 GCEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)Nc1ccc(Br)cc1C#N 1852366550 GWDPPDBRWMRUOK-LBPRGKRZSA-N 386.227 0.862 30 10 GCEE COc1ccc(C(N)=NOCCC(=O)N(C)CC(=O)N2CCOCC2)cc1 1853576767 BPTXDSAVMMAKQP-UHFFFAOYSA-N 378.429 0.039 30 10 GCEE C=C(C)CN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)[C@@H]1C 1854648891 RLRBQRWWTCFLTG-KBPBESRZSA-N 376.482 0.909 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1854683808 FWZZFHOLISINNI-HOCLYGCPSA-N 386.452 0.684 30 10 GCEE N#CCC(=O)N1CC[C@@H](N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)C1=O 1855419711 HXPXRWMEHLQFON-QGZVFWFLSA-N 383.452 0.874 30 10 GCEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 1855439462 ICIUDQRESDVVHT-HUUCEWRRSA-N 384.502 0.411 30 10 GCEE Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)[C@H](C)C2=O)cc1C#N 1855947460 RGAQJOPLDZEIPS-CJNGLKHVSA-N 375.450 0.727 30 10 GCEE CS(=O)(=O)N1CC(C(=O)N2CCN(CCC#N)C3(CCCCC3)C2=O)C1 1856629638 ODFHQJDUBWGUPB-UHFFFAOYSA-N 382.486 0.165 30 10 GCEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC3CCCC3)C(=O)C2)C1 1856829897 JETLBYFJQJICOL-OAHLLOKOSA-N 382.486 0.165 30 10 GCEE CCn1nccc1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857074848 RLOHYPGDXCDHJC-MRXNPFEDSA-N 393.451 0.733 30 10 GCEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2067391374 GEVZEGWJBWSYBK-KGLIPLIRSA-N 375.491 0.865 30 10 GCEE CC(C)(C)OC(=O)N1CCN(c2cnc(C#N)cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 2118199077 NZVUIGXQFFYHDF-OLZOCXBDSA-N 379.442 0.571 30 10 GCEE C=CCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 2124703161 GROLCOXUGCQLGU-UHFFFAOYSA-N 388.490 0.147 30 10 GCEE CC(C)(C#CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)NC(=O)OC(C)(C)C 2138032481 HMIYSZLSVMKHHU-NSHDSACASA-N 390.458 0.297 30 10 GCEE Cc1cc(C#N)c(N2CCN(C(=O)OC(C)(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)nn1 2174815887 YBPMVVYJVWXHSK-UONOGXRCSA-N 393.469 0.879 30 10 GCEE Cn1cc(C(=O)N[C@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1 2255625294 PLBPFFASASSMGH-ZDUSSCGKSA-N 377.250 0.745 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2COC[C@H]2O)OC1(C)C 2255749347 RQIHJHNJPUCDQF-WDEREUQCSA-N 375.277 0.085 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(CC#N)CC1)[C@H](O)C(F)(F)F 2265331336 RSXMVQABDMFWCR-MNOVXSKESA-N 380.367 0.471 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)[C@@H](O)C(F)(F)F 2265341102 HZYUPNKMCGBOPK-IVZWLZJFSA-N 382.335 0.786 30 10 GCEE CNS(=O)(=O)CCN(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267225052 STRSIEWTMKXFFZ-UHFFFAOYSA-N 388.320 0.669 30 10 GCEE CNC(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2267355317 YZJBFFMIGZKHML-UHFFFAOYSA-N 388.320 0.770 30 10 GCEE CNC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267475800 OZJMNWQPDNJSMZ-UHFFFAOYSA-N 388.682 0.664 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CO)CC(O)C3)s2)OC1(C)C 2267712941 IYPRLKOMGFNYHD-UHFFFAOYSA-N 389.304 0.211 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H](O)C3)s2)OC1(C)C 2267716757 RVOWEWOICGUYIJ-QWRGUYRKSA-N 389.304 0.164 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H](O)C(=O)O)OC1(C)C 2269036282 CGNMUOGFVHBQSA-JTQLQIEISA-N 391.276 0.161 30 10 GCEE C#CC1(N(C)C)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)C1 2274581901 MRAPUVRVIVQWRN-QWRGUYRKSA-N 379.379 0.579 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 2281272367 KAAGLXQLPKCVCS-IXVUQVCVSA-N 376.457 0.064 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNC[C@@H]2O)c1C 2282000427 OEUFYMLEPJTZEQ-STQMWFEESA-N 380.319 0.974 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 2282188625 YGJANIXQWZMFEA-KRWDZBQOSA-N 382.291 0.631 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H]2CC[C@H]21 2282322873 RQMSFDXSZANOKM-QJPTWQEYSA-N 382.295 0.581 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(OCCO)C2)OC1(C)C 2282343777 RIDBWQFOMPHJCN-UHFFFAOYSA-N 383.275 0.368 30 10 GCEE CN(C)CCCN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282346287 UZJWIJNYVNPNHX-UHFFFAOYSA-N 383.323 0.953 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3COCCO3)c2)OC1(C)C 2282350529 OGUUZLVJGMLZKE-ZDUSSCGKSA-N 384.263 0.075 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H]2CNC(=O)C2)OC1(C)C 2282423678 RUAKESCSJLIEKI-LBPRGKRZSA-N 380.275 0.400 30 10 GCEE CC[C@H](CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)OC 2282506479 SOVLVVYTNFLCLY-GFCCVEGCSA-N 387.311 0.731 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2CC[C@H]3CC(=O)N[C@@H]3C2)OC1(C)C 2282515676 UZPGHXLHVGIEJH-WDEREUQCSA-N 377.275 0.793 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN1CCOCC1 2282586147 VEODBFMIGVFEFG-UHFFFAOYSA-N 381.307 0.813 30 10 GCEE Cc1nnc2n1CCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2282618427 MLQVFKCHYQJNAS-UHFFFAOYSA-N 375.263 0.998 30 10 GCEE COCCNC(=O)CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282666126 VKRZRIWHLQMKAA-UHFFFAOYSA-N 382.291 0.930 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]1C(C)(C)C 2282838136 JKSKMBCLGQIWEV-NSHDSACASA-N 384.311 0.923 30 10 GCEE C#CC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282838968 XCCMEHLFDAWUIM-ZDUSSCGKSA-N 379.291 0.753 30 10 GCEE CCCN(C)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858432 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0.887 30 10 GCEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1722349043 DKVATBOPKDYCDI-UHFFFAOYSA-N 377.470 0.915 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722494329 OWVMKRMBKLVMOG-ILXRZTDVSA-N 390.488 0.709 30 10 GCEE C[C@@H]1COCCN1CCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1726752246 HVJRWVKFNDTGHE-VKJFTORMSA-N 378.452 0.945 30 10 GCEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CCO1 1729681247 DUWPHDJBSDHNEB-INIZCTEOSA-N 395.423 0.748 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCSC2)CC1 1748990483 XPVYHLBEJKVGHP-QAPCUYQASA-N 377.514 0.405 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749732317 VNZQDDPBLPLGAJ-HNNXBMFYSA-N 393.513 0.957 30 10 GCEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2COCCO2)CCOC1 1767386117 PGECWLDBNMFQOI-RKVPGOIHSA-N 379.461 0.941 30 10 GCEE COc1cccc(C#N)c1OCC(=O)OC[C@H](C)N1CCS(=O)(=O)CC1 1852089656 ANHFTKKBUIARBM-ZDUSSCGKSA-N 382.438 0.608 30 10 GCEE 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381.307 0.803 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)OC1(C)C 2282029971 ZCAJPKFYIOBHLV-MEWQQHAOSA-N 380.275 0.541 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CC(F)(F)F)n1 2282044813 WIIVCLNJZHCNPH-VIFPVBQESA-N 377.172 0.762 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N[C@H]3COC[C@H]3S(C)(=O)=O)o2)OC1(C)C 2282202887 KBUXZFDVNMMXFJ-CMPLNLGQSA-N 385.247 0.121 30 10 GCEE C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282343977 SHFXKVDWXNUQAU-NWDGAFQWSA-N 384.311 0.220 30 10 GCEE Cc1nnccc1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350210 KDJSEWYPUFONMF-UHFFFAOYSA-N 379.251 0.619 30 10 GCEE CCOC(=O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282498183 ZZAUDIINLVSDKO-UHFFFAOYSA-N 383.275 0.968 30 10 GCEE CC[C@H](CCCO)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503541 BOXGWBBQJBONGJ-GFCCVEGCSA-N 387.311 0.549 30 10 GCEE CCc1nc(C(=O)NCC[C@H](N)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2282509608 MOZRESVNRDQRKH-VIFPVBQESA-N 383.279 0.537 30 10 GCEE 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CO[C@@H](CN)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2365424763 RNIHOMIKCZRJCC-LBPRGKRZSA-N 388.270 0.377 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H]([C@@H](N)C#Cc2cnn(C3CC3)c2)C1 2365951582 LPLQOZVFGZJLKQ-HOTGVXAUSA-N 394.497 0.931 30 10 GCEE C#CC(CO)(CO)N[C@@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2377343131 JRVQMCDHOXGGAQ-IEBWSBKVSA-N 382.457 0.567 30 10 GCEE C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(C)C 96893602 UVLUPJFYMOGGAR-LUJNMSEFSA-N 378.450 0.894 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)cc1 114867276 GMFHHLHSSWEKMY-CQSZACIVSA-N 387.465 0.497 30 10 GCEE CCOC(=O)c1c(N=C2S/C(=C\C(=O)OC)C(=O)N2C)ncn1CC(C)=O 254303955 PNCZRECIRKYNGK-KYDQPYFBSA-N 394.409 0.898 30 10 GCEE C=CCn1c(=O)c2c(nc(NN=Cc3ccc(O)c(OC)c3)n2C)n(C)c1=O 263632686 CMOMHMZLGKHOJN-UHFFFAOYSA-N 384.396 0.780 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1)C(C)(C)C 288519553 WLGMXMVVFHYDGW-OAHLLOKOSA-N 395.481 0.714 30 10 GCEE 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CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2nnc(S)n2C)c1 931996836 YASGIQRWLCZRPG-UHFFFAOYSA-N 378.479 0.873 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)n2)cc1 1116721331 GKRUYPYYXGNULR-GJZGRUSLSA-N 380.408 0.651 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)C(F)(F)F)C2=O)cc1 1116757858 LLWVOMAPCCLJJQ-RYUDHWBXSA-N 384.314 0.803 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCc1ccc2[nH]ccc2c1 1117316447 BTKZEFQAWRPSHY-ISLYRVAYSA-N 395.419 0.469 30 10 GCEE C#CCN1CCCC[C@@H]1c1nnc(N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1C 1121486852 VLLZTRTUJPTVPX-RKVPGOIHSA-N 388.497 0.350 30 10 GCEE C=CCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1121608027 RHNBSHLMHPXQPO-BEFAXECRSA-N 392.504 0.107 30 10 GCEE C#C[C@@H]1CCCN(c2nnc(Cn3cc(CCO)nn3)n2C[C@@H]2CCOC2)C1 1123135949 RZPWWSPZZHKQOW-CVEARBPZSA-N 385.472 0.339 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cnccn3)C2=O)cc1 1127642780 IEUFUACTZQLRLR-MRXNPFEDSA-N 378.392 0.912 30 10 GCEE 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COCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1697975557 ICRKBMREFZHUFS-KBPBESRZSA-N 383.474 0.336 30 10 GCEE C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@@H]1C 1702695044 WNBXKYYLZVGGNB-OSRDXIQISA-N 392.374 0.478 30 10 GCEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCOCCCO 1705611742 OJNRIFJZRNDLOT-UHFFFAOYSA-N 375.429 0.864 30 10 GCEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)OC 1712163963 ACPXJUMJXFYMAY-FZKCQIBNSA-N 395.460 0.392 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1COCCO1 1722284197 WQOYDBICKSWAPA-PBHICJAKSA-N 394.439 0.794 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(=O)N(C)C)CC1 1740689140 PUNQRTWHEVJCQP-UHFFFAOYSA-N 389.504 0.040 30 10 GCEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1740900238 WPJSALUOLKZLSS-KBPBESRZSA-N 387.506 0.516 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](COC)C1 1740965779 MJAGABCPPYDUJJ-VYDXJSESSA-N 393.488 0.777 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1748672081 QEAGXCZRVYPPSX-KGLIPLIRSA-N 381.502 0.869 30 10 GCEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748751940 OSFKDFGHCSVGKL-AWEZNQCLSA-N 381.502 0.713 30 10 GCEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1748855902 LOZIFEWGAZBYAE-FQEVSTJZSA-N 381.484 0.279 30 10 GCEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1748934910 JNKJAZDFGATGBV-CQSZACIVSA-N 379.486 0.295 30 10 GCEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1749511953 DPRHKVQWMWRTGP-AWEZNQCLSA-N 379.428 0.861 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1760523683 FPWNDKBDKMKCSD-CQSZACIVSA-N 376.461 0.176 30 10 GCEE C=CCN([C@H]1CCN(C(=O)c2snnc2CC)C1=O)[C@@H]1CCN(C)C1=O 1854209271 GKKJUCGHCKRANF-OLZOCXBDSA-N 377.470 0.560 30 10 GCEE Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)cc1C 1854872444 JTGJBEDEORCIMC-HUUCEWRRSA-N 393.465 0.983 30 10 GCEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1 1856082092 GFPBVERSDXGKKA-JKSUJKDBSA-N 377.485 0.897 30 10 GCEE Cc1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)nn1C 1857072140 AHXZFNJFIWUWJJ-QGZVFWFLSA-N 393.451 0.559 30 10 GCEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2snnc2CC)C1)[C@H]1CCN(C)C1=O 1857269277 LHMZHMXBGSDFNJ-OCCSQVGLSA-N 391.497 0.808 30 10 GCEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(O)CC2)cc1=O 1870559246 WSVFDOWUNZVIOE-UHFFFAOYSA-N 387.480 0.830 30 10 GCEE C#CCC[C@@H](O)CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1965118534 PIGXKXIJRFGCJN-UONOGXRCSA-N 388.486 0.301 30 10 GCEE N#C[C@@H]1CCN(S(=O)(=O)N=c2cnc(I)c[nH]2)C1 2046057468 VZDGLCOWBHOAHS-ZETCQYMHSA-N 379.183 0.005 30 10 GCEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2110010165 WVMUPCUFFSMMHO-UHFFFAOYSA-N 389.474 0.208 30 10 GCEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC[C@@H](C#N)C1 2118163070 NTANKQZQXBXLOM-UONOGXRCSA-N 388.490 0.644 30 10 GCEE C=CCC1(C(=O)N2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2181066132 NRZWLXVLESVTTL-CHWSQXEVSA-N 377.441 0.921 30 10 GCEE C#CC[C@H]1CN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CCO1 2195280891 WQKRDNUQOYYEIX-CABCVRRESA-N 379.457 0.705 30 10 GCEE CO[C@H]1[C@@H](C(=O)N=c2nc[nH]cc2C#N)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205490772 XAIIFSNHJLKNFB-FRRDWIJNSA-N 377.401 0.358 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(O)C(=O)C1=CCS(=O)(=O)CC1 2217643208 QYUUUJVBDIIXRO-MLGOLLRUSA-N 375.443 0.345 30 10 GCEE C#CCOCCOCCNC(=O)c1c[nH]nc1CCNC(=O)OC(C)(C)C 2235329739 FDFDDCZYSREWFT-UHFFFAOYSA-N 380.445 0.873 30 10 GCEE Cn1ncc(NS(=O)(=O)N2CC[C@@H](C#N)C2)c1I 2254142789 MEXFQPUITVBWIS-ZETCQYMHSA-N 381.199 0.527 30 10 GCEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](O)CO 2255751985 FDEVBCDYFYSYLP-MWLCHTKSSA-N 377.293 0.067 30 10 GCEE C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255948963 SAUMNDKJHNYERU-MWLCHTKSSA-N 377.293 0.067 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N2CCS(=O)(=O)CCO2)OC1(C)C 2267166958 ZIXRZYNNLNFFCO-UHFFFAOYSA-N 387.288 0.850 30 10 GCEE C[C@H](O)CNCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 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382.291 0.963 30 10 GCEE Cc1cc(S(=O)(=O)NCC[C@H](O)CO)ccc1B1OC(C)(C)C(C)(C)O1 2282312633 ZDUOZPSQJQGISD-ZDUSSCGKSA-N 385.291 0.316 30 10 GCEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C#N 2282330373 YSVBOXDVSUVDBV-ZDUSSCGKSA-N 397.331 0.876 30 10 GCEE C=C(CS(=O)(=O)N1CCN(CC(C)(C)O)CC1)B1OC(C)(C)C(C)(C)O1 2282502795 PVMPQCSRILLIPF-UHFFFAOYSA-N 388.339 0.892 30 10 GCEE CN[C@@H](C)CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282507583 JLXJNCNLFLJDRB-NSHDSACASA-N 386.327 0.304 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1O 2282511746 OFKDQDMEPOIORE-YPMHNXCESA-N 385.295 0.111 30 10 GCEE CCN(CCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2282512980 XBNDTHZNIVTCAF-UHFFFAOYSA-N 385.291 0.997 30 10 GCEE CC1(C)OB(c2csnc2C(=O)NCCOC2CCNCC2)OC1(C)C 2282519782 MJNMKXNTPBOENK-UHFFFAOYSA-N 381.307 0.941 30 10 GCEE COC[C@H](CCO)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282542911 ICUVXEIMFFPJNW-JTQLQIEISA-N 387.673 0.500 30 10 GCEE Cn1nc(C(=O)NC[C@H]2COCCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282543960 MHFIITKSCNVXBZ-JTQLQIEISA-N 385.657 0.518 30 10 GCEE Cn1nc(C(=O)N2CC[C@H](C(N)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548035 VJPMEHSUZRDSPO-VIFPVBQESA-N 382.657 0.320 30 10 GCEE CN(Cc1ncnn1C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849643 FBMMVJOZBXCHNK-UHFFFAOYSA-N 398.319 0.997 30 10 GCEE C#C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282857313 GQBBGFRIZQRTIS-CHWSQXEVSA-N 379.291 0.800 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCCC(N)=O)cc2)OC1(C)C 2282858845 DEWXHLBRIDEOET-UHFFFAOYSA-N 382.291 0.920 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]1C1CCC1 2282867989 GZKOUGCXOZECIB-NEPJUHHUSA-N 382.295 0.581 30 10 GCEE CC1(C)OB(c2cc(N[C@@H]3CNC[C@H]3S(C)(=O)=O)ccc2N)OC1(C)C 2282995416 RGHPXIIGCSROEM-HUUCEWRRSA-N 381.307 0.365 30 10 GCEE C#CCOCCOCCNC(=O)C1CN(C2CN(C(=O)OC(C)(C)C)C2)C1 2284231773 DDJSDTZBOWVJIZ-UHFFFAOYSA-N 381.473 0.320 30 10 GCEE C=C(CS(=O)(=O)NC[C@H](C(=O)O)[C@H]1CCOC1)B1OC(C)(C)C(C)(C)O1 2284415722 ZFKUXPSAYXMQKW-STQMWFEESA-N 389.279 0.831 30 10 GCEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2286749586 RBTYZUTUNXKECX-KKUMJFAQSA-N 383.275 0.412 30 10 GCEE C#CC1(N(C)C)CN(C(=O)[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O2)C1 2290362044 AZHNTRYWLTVZES-KFWWJZLASA-N 379.457 0.166 30 10 GCEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2327151577 VVJBHHNCHVGLTN-OLZOCXBDSA-N 377.459 0.283 30 10 GCEE CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(O[C@@H]1C[C@]1(O)C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O 2333231324 OKRSVUYYCJPECG-HMJNXODCSA-N 376.405 0.218 30 10 GCEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2368402807 FTCZHJWSPPJOTK-FPEUBTHASA-N 380.485 0.905 30 10 GCEE C#CCN(C)CCN[C@@]1(C(=O)O)CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2377979591 FMXJWDKTOCNROS-RBUKOAKNSA-N 381.473 0.764 30 10 GCEE CC#CCN1CCN([C@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CC1 2378180951 BBAXJVPCGXKHCR-IBGZPJMESA-N 381.473 0.718 30 10 GCEE CCCOc1nn(/C(O)=N/S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C 13827925 JTHMVYBOQLDDIY-UHFFFAOYSA-N 398.397 0.308 30 10 GCEE biogenic,in-vitro Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O)cc1 39564272 RSEWNGNFIIXLHN-ILXRZTDVSA-N 396.421 0.207 30 10 GCEE biogenic Cc1ccc(-n2nnn([C@H]3CC(=NNC(N)=S)[C@H]4OC[C@H]3O4)c2=S)cc1 254402793 JUKXKAAETKATSW-XQQFMLRXSA-N 391.482 0.982 30 10 GCEE C/N=C(/NCCOc1ncccc1F)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261820057 UKJXAYZPBZPPJV-SFHVURJKSA-N 392.435 0.485 30 10 GCEE O=S1(=O)CC[C@H](CN/C(=N\C2CCCCC2)N[C@H]2CCc3ncnn3C2)C1 262388126 LQRQYLLMDRMIKI-ZBFHGGJFSA-N 394.545 0.896 30 10 GCEE CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 271717846 YVGMQSSFFQWGIH-AWEZNQCLSA-N 376.461 0.363 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCN2CCCCC2)CC1 283541794 QBPKHPGBPIUEJY-UHFFFAOYSA-N 384.484 0.594 30 10 GCEE C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 283878720 DVMPPTAINVZXBY-INIZCTEOSA-N 384.484 0.450 30 10 GCEE CC(=O)N1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](C)C1 297578945 AMMDYPUTLRUEPM-QFBILLFUSA-N 397.479 0.302 30 10 GCEE CN(C)S(=O)(=O)n1ccnc1CN1CCO[C@H](c2cccc(C#N)c2)C1 365619578 JKRHDYYTKXFYCB-INIZCTEOSA-N 375.454 0.983 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC2CC2)[C@@](C)(CC)C(=O)OC)C1=O 425028498 GKZMJMPGJLSQRN-SFHVURJKSA-N 379.413 0.544 30 10 GCEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ncc(C#N)cc2[N+](=O)[O-])C1 450479888 ROQWBHKAXSZXTK-CYBMUJFWSA-N 383.430 0.738 30 10 GCEE C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)N1CCCCC1=O 471105131 AEYLPZVTQJIAHG-CQSZACIVSA-N 377.466 0.990 30 10 GCEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508944227 CKLJIIPUXGCURC-GOEBONIOSA-N 390.488 0.341 30 10 GCEE COC(=O)c1cn(C2CN(CCS(=O)(=O)c3cccc(C#N)c3)C2)nn1 546047290 LWGATHGUKVIYMA-UHFFFAOYSA-N 375.410 0.267 30 10 GCEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 566477465 GKIWFVGUSVWDBP-UHFFFAOYSA-N 381.410 0.228 30 10 GCEE Cn1ccc([C@@H]2NC(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n1 566598129 NNQVIZFRFUAYJS-HOTGVXAUSA-N 378.392 0.686 30 10 GCEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(N)=O)C(=O)C1 577204372 OLPCQCBHHZSEDH-OAHLLOKOSA-N 382.424 0.274 30 10 GCEE N#CCC(=O)N1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 578904648 PYZXWLDVVQQCMI-UHFFFAOYSA-N 387.459 0.922 30 10 GCEE CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@@H]1SC 592305707 FUFFIDVWWPZUGX-UPJWGTAASA-N 379.486 1.473 30 10 GCEE Cn1cnc(CCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 592674756 KYEICZMUKZGNHF-UHFFFAOYSA-N 376.442 0.370 30 10 GCEE CN1CC[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)S1(=O)=O 592747845 NRHPGONTDJFCOJ-CVEARBPZSA-N 380.445 0.568 30 10 GCEE C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 594631778 YEDOARZKMLLXSF-QWHCGFSZSA-N 387.483 0.582 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2CCc3nccnc3C2)c(C#N)cn1CC 595210499 BQYZGJIQBYHLAF-UHFFFAOYSA-N 396.407 0.870 30 10 GCEE N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2F)C1 595965664 ROSDNRKCUIJWCD-UHFFFAOYSA-N 376.435 0.528 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 598189518 YMPVGKVGPZVVTF-SGMGOOAPSA-N 399.494 0.307 30 10 GCEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](CC(N)=O)C2)CC1 599664058 LGPATUALOVMESZ-GJZGRUSLSA-N 391.497 0.033 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CNC[C@H]43)C2)nc1 601589853 AJBUMAQLLRQDQK-ZKXLYKBJSA-N 395.463 0.389 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2OCCC)CC1 604182298 GJGAHOGBCSLUSZ-UHFFFAOYSA-N 375.473 1.000 30 10 GCEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCCS1(=O)=O 647401672 VPNVXFXCLGJLJV-UHFFFAOYSA-N 384.506 0.464 30 10 GCEE C=CCn1c([C@H]2C[C@H]3CC[C@H]2O3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 652558871 GDFJQKNOBBKKJY-LJISPDSOSA-N 381.502 0.969 30 10 GCEE C=CCN(CC(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 654774317 NUGICWMGUBUMPH-UHFFFAOYSA-N 390.483 0.882 30 10 GCEE NCC#Cc1cncc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1 706608532 MRIFUNCFSYAWQB-UHFFFAOYSA-N 382.489 0.898 30 10 GCEE CC[C@]1(C2CC2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 758234141 BXRIEDNCSBHCQM-BFUOFWGJSA-N 383.456 0.927 30 10 GCEE Cn1ccnc1-c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 766790843 DAYJVCSVLWXGDW-UHFFFAOYSA-N 399.436 0.498 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cnccc1C(F)(F)F 785492355 AOGCLWDKGNIQRK-OUKQBFOZSA-N 390.343 0.905 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)c1 791257190 GXKJCZQOWOMCFY-IAGOWNOFSA-N 379.457 0.856 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)c1 825469892 JTQNOULCMNFOGV-INIZCTEOSA-N 392.477 0.914 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 831568686 OVPLAJWLFFACEE-UHFFFAOYSA-N 375.809 0.410 30 10 GCEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C#CC(=O)O)CC2)cc1F 844814131 DYSZUCVMCZWXGQ-UHFFFAOYSA-N 389.426 0.718 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(c2ncccn2)CC1 846240172 XLQCGRLFFZGKQD-KRWDZBQOSA-N 394.435 0.189 30 10 GCEE C#CC1CCN(C(=O)C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 847533687 GCPAKQSPBMDVTM-FQEVSTJZSA-N 382.420 0.894 30 10 GCEE CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1 848460327 IUQHEHZGDZEEHT-UHFFFAOYSA-N 383.401 0.749 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(-n2cnnn2)c1 849433668 HAGWVEXSEJWCHF-UHFFFAOYSA-N 377.426 0.628 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)n1 850661717 BBKOWGGPOUHZSV-HXUWFJFHSA-N 388.468 0.255 30 10 GCEE Cc1ccccc1CN(C(=O)[C@H](C)n1cnc(C#N)n1)S(=O)(=O)CCO 851158478 KFPJFOHRMDKZQY-ZDUSSCGKSA-N 377.426 0.370 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CC(N3CCOCC3)C2)ccc1F 862105696 RYUSDSJAZBANLX-UHFFFAOYSA-N 397.472 0.883 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 862199424 LAZKQMBJTDLBCI-CQSZACIVSA-N 381.454 0.466 30 10 GCEE Cc1cccc(CN2CCO[C@@H](CNc3c(C#N)c(=O)n(C)c(=O)n3C)C2)c1 866191162 WIPQILPJAKHTJC-INIZCTEOSA-N 383.452 0.577 30 10 GCEE C#CCC[C@H](O)CNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 867227039 UILKIQYVZITRJF-NSHDSACASA-N 387.259 0.853 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 874988053 MOCWDAKXHLSEHO-CABCVRRESA-N 379.482 0.392 30 10 GCEE C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 875295826 WJKHZIZGVURPKD-ZIAGYGMSSA-N 378.860 0.975 30 10 GCEE C#CCN(C)CCCNC(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 875624006 ZPAUIUXTSVTXSD-IBGZPJMESA-N 383.489 0.710 30 10 GCEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 886353310 GJXQGDOHLWKURL-MRXNPFEDSA-N 394.497 0.470 30 10 GCEE C#CCN(c1nnc(-c2cnsn2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 909318321 CIZJBEMEHYLVMU-GFCCVEGCSA-N 378.483 0.999 30 10 GCEE N#Cc1cc(CS(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cs1 913862530 RLWUGVNBTFNOOA-CYBMUJFWSA-N 389.524 0.254 30 10 GCEE C#CCN(C(=O)C(=O)NCCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1117457517 XLBWGKMTHVCBBJ-HNNXBMFYSA-N 394.518 0.716 30 10 GCEE N#CCOc1cccc(CNC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)c1 1118681197 GZSQFMDTEYQLNX-MRXNPFEDSA-N 399.451 0.611 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CO)nc3)CC2)cc1 1141413884 LYALVWOEVGPVBH-UHFFFAOYSA-N 386.433 0.592 30 10 GCEE C#CC1(O)CN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1221187080 OZMXSIYDZSVCJL-INIZCTEOSA-N 387.436 0.250 30 10 GCEE C#C[C@H](NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)C1CCOCC1 1231332466 RHXWZPUFECGLHO-HNNXBMFYSA-N 385.472 0.591 30 10 GCEE N#Cc1cn(CCNC(=O)NCCOC(F)(F)C(F)(F)F)c(=O)nc1O 1254957890 CHDKZWIPVDGCOF-UHFFFAOYSA-N 385.249 0.291 30 10 GCEE C#CCOCCCOC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1263621936 SJXMLKLMCIGRCC-CQSZACIVSA-N 389.470 0.994 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)CC1 1286788023 OOVKNMTUSOKXNQ-AWEZNQCLSA-N 381.502 0.719 30 10 GCEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c([N+](=O)[O-])cc1OC 1289435984 CMTUKOAMUJPZDT-MGPLVRAMSA-N 395.393 0.622 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1301459074 PQUIQVBYKNKORR-AWEZNQCLSA-N 393.473 0.223 30 10 GCEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1304002728 XQNXJXGGKADIRI-LXIYXOSZSA-N 395.481 0.640 30 10 GCEE C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1cnn(-c2ccccc2)c1 1321008488 DRJPJRKRJUAUTK-UHFFFAOYSA-N 386.437 0.740 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1323416200 YTOCZIXYUININC-QZTJIDSGSA-N 396.447 0.973 30 10 GCEE Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCC2)n([C@H]2CCS(=O)(=O)C2)n1 1326474639 BQDJZSWYJKCGKC-ZDUSSCGKSA-N 393.469 0.690 30 10 GCEE COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1327104227 MGUJPTDODRGERB-GOEBONIOSA-N 398.419 0.191 30 10 GCEE CN(C)C(=O)c1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1327830600 GJVKUKKHOGMMDS-MSUUIHNZSA-N 385.424 0.714 30 10 GCEE Cc1cc(NC(=O)CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)no1 1328749075 OHVSSENNHSDROM-INIZCTEOSA-N 391.472 0.611 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 1328835415 QWTGDQFLQAIIOI-SJORKVTESA-N 385.420 0.281 30 10 GCEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1330436713 NFJFJYBUXGYDRU-KFWWJZLASA-N 381.440 0.529 30 10 GCEE Cc1cncc(CCNC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 1330771872 CHSQKTZHRALDHL-UHFFFAOYSA-N 396.426 0.803 30 10 GCEE COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 1333361583 YFLLBWPXRCYZCI-HXUWFJFHSA-N 384.436 0.742 30 10 GCEE C=CCCOCCNC(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 1334902848 NFGCDUJJLLGGIG-GFCCVEGCSA-N 381.454 0.955 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1C 1338187214 SZEAZYOZJGMHHE-JYJNAYRXSA-N 376.505 0.661 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@](C)=O)CC1 1338869933 ZQNLTAVDUODVHV-HAWMADMCSA-N 385.530 0.816 30 10 GCEE C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCO[C@@](C)(C(=O)OCC)C1 1340445896 TZKIRQZTQDNHOR-FZKQIMNGSA-N 377.445 0.616 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1340905979 RVGZGHYTXMQMFG-TWMKSMIVSA-N 397.541 0.118 30 10 GCEE C#CCN(c1nnc(CCOC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1344729772 GIFJYEVNAMGLPA-CABCVRRESA-N 382.486 0.273 30 10 GCEE 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381.267 0.263 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCC1(C)C 2282839173 ZXFWFFKVZPXDIW-LLVKDONJSA-N 384.311 0.829 30 10 GCEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H]3C=CCNC3)cc2)OC1(C)C 2282842298 VZOKHROLWOJOML-INIZCTEOSA-N 378.303 0.933 30 10 GCEE C[C@@H](CCCCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282849363 AGJSFEGERUIKAR-LBPRGKRZSA-N 387.311 0.549 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1C[C@@H]1C(F)F 2282849406 AYRHJWAEZGMZJZ-UWVGGRQHSA-N 391.249 0.899 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CC[C@@H](O)C1 2282850812 TXZVMGSVTQFLKP-NWDGAFQWSA-N 385.295 0.159 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)O)c2)OC1(C)C 2284408685 YQFVFEUGSFKMPP-ZWNOBZJWSA-N 382.247 0.380 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@]2(C)CCNC2=O)OC1(C)C 2288924293 RGTAGOYLSQKXGD-QGZVFWFLSA-N 380.275 0.543 30 10 GCEE CO[C@H](CO)CNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2295302211 VGHHVDSJXSJUAW-ZDUSSCGKSA-N 385.291 0.580 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339676061 UVXWTRKEFUCBOE-MMQJMDILSA-N 386.514 0.901 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)CC1 87026034 QTOYFWRVVGSKKT-QGZVFWFLSA-N 378.517 0.860 30 10 GCEE COCCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C 106107726 HJCODQODVMIEDJ-OAHLLOKOSA-N 390.488 0.156 30 10 GCEE N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 123913962 DFNLOGYXWWGYHM-UHFFFAOYSA-N 399.476 0.777 30 10 GCEE CNC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 179672491 FBMAUQHPWZIDJO-WMLDXEAASA-N 377.514 0.817 30 10 GCEE C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 262007991 UVRAEPHFUNALBB-AWEZNQCLSA-N 387.550 0.175 30 10 GCEE Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCC#N)CCN1CCOCC1 264166855 UPUFZKCDBQRHGZ-UHFFFAOYSA-N 375.882 0.619 30 10 GCEE CN(Cc1cnccn1)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 297729481 FKAAEGAHGFDJMY-UHFFFAOYSA-N 378.436 0.651 30 10 GCEE CN(Cc1ccc(O)cc1)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297975983 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N#Cc1ccc(CS(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)c(F)c1 481058547 XXOSHSVMOIIQDO-UHFFFAOYSA-N 383.426 0.964 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)CC1 492415986 BHXHPUHZMVAWPB-UHFFFAOYSA-N 387.484 0.241 30 10 GCEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(CC#N)cc1 519765491 NHDNSWDMHYUXOM-CHWSQXEVSA-N 381.454 0.628 30 10 GCEE C[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C#N)c1 566690515 TURCFUBONLIKHN-NSHDSACASA-N 375.472 0.268 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC2=CCOCC2)c1 573699424 KLDMVLNHYZGJBH-UHFFFAOYSA-N 385.467 0.456 30 10 GCEE Cc1c(C#N)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nn1C 592647462 STJXTQATDXHSOM-GFCCVEGCSA-N 381.392 1.363 30 10 GCEE N#Cc1cccc2c1CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 593119642 DSDKQEALVXXFBM-UHFFFAOYSA-N 384.461 0.880 30 10 GCEE N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@H](CO)C3CCC3)c2)CC1 595961287 GSNAWGJUNZNZFY-OAHLLOKOSA-N 399.494 0.460 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 645818106 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C#CCN1CCN(C(=O)Cn2cc(Br)c3ncncc3c2=O)CC1 783074318 KWBIQBRITOUIDW-UHFFFAOYSA-N 390.241 0.331 30 10 GCEE COc1nn(C)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 789862757 PRDQMNJMYNVGET-UHFFFAOYSA-N 377.426 0.886 30 10 GCEE C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(N2CCCC2=O)cc1 800021688 RYYLWWMWXKZNCZ-XJKSGUPXSA-N 378.454 0.933 30 10 GCEE C#CCN(C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 826097019 MGEAYOIQLJQEQJ-ZDUSSCGKSA-N 396.469 0.879 30 10 GCEE COc1ncncc1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 842526846 FMEUXPMINMLNQB-UHFFFAOYSA-N 377.426 0.952 30 10 GCEE C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)NC(N)=O 847357308 YBDFARXIZRFQEZ-OHARDZCESA-N 381.458 0.885 30 10 GCEE C#CCN(C(=O)c1conc1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 847378029 ISJXELPQAUZXAK-LBPRGKRZSA-N 397.453 0.962 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1 847563532 WUUMAMQREJDTKD-CYBMUJFWSA-N 393.465 0.756 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 848956830 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CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1141657576 WUOKHAQKLDPNRD-MSOLQXFVSA-N 381.436 0.963 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1152967514 KBKNSPGJXQFQHS-UHFFFAOYSA-N 380.426 0.139 30 10 GCEE C#CC1(O)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 1167535724 SNCKRIULKKZERX-MRXNPFEDSA-N 377.485 0.694 30 10 GCEE C=CCC1(O)CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 1178198238 DFTDTWAXDMUUIP-KRWDZBQOSA-N 379.457 0.532 30 10 GCEE NC(=O)[C@]12CCC[C@H]1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1179352310 PIQQXMWFGRUZNP-SGTLLEGYSA-N 390.465 0.229 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCOC12CCOCC2 1180231073 UMIBRGQYPDCRQQ-CZUORRHYSA-N 393.465 0.679 30 10 GCEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)nn1 1193475327 CZJZRIUXZQOHSR-UHFFFAOYSA-N 385.471 0.241 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C1 1261805658 PDVJFZDKNQUXDW-MRXNPFEDSA-N 376.501 0.424 30 10 GCEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CC[C@](OC)(C(F)(F)F)C1 1262996057 ULXQQSMXNALHMF-YMTOWFKASA-N 388.350 0.844 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1 1286461774 XFUOKLRNKVNIEI-QGZVFWFLSA-N 381.502 0.370 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)F)CC1 1286476686 DTYSZOKZDMDDOU-UHFFFAOYSA-N 391.426 0.420 30 10 GCEE C#CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286513890 ZFKOSSPGZWUMFX-GOSISDBHSA-N 393.513 0.623 30 10 GCEE C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCc2cnn(C)n2)c1 1292233620 IDZLEJJKCMNWRP-KURKYZTESA-N 378.436 0.686 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1300538125 NRZKUPOFNVXFLT-LFPIHBKWSA-N 382.511 0.022 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C2COC2)nn1 1300596047 KNYBKKXNKGGKIY-UHFFFAOYSA-N 384.444 0.185 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cn2)CC1 1300698087 MYQGUJAGTGFGDR-INIZCTEOSA-N 383.431 0.567 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)C1 1301555373 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378.473 0.760 30 10 GCEE C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccn(CCOC)n1 1686061368 CUDBZCGRCSUKDG-UEABVUSTSA-N 376.457 0.718 30 10 GCEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1689961291 RUJKCLKHTBIUOY-AWEZNQCLSA-N 396.451 0.923 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1689962298 BTHSPTNCBRFSFT-QGZVFWFLSA-N 387.532 0.572 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1690667973 ODEQTZQDTUOZKC-UHFFFAOYSA-N 392.485 0.513 30 10 GCEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698493464 MKLJEHZRRXPFAE-GJZGRUSLSA-N 395.423 0.662 30 10 GCEE CN1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)CC1 1702953211 IFVKSYHMFRCUDA-KBMXLJTQSA-N 380.514 0.602 30 10 GCEE C#CCN(c1nnc(C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1705559951 CFCOIXIPZKBYAA-BQFCYCMXSA-N 394.497 0.551 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC=C 1705584339 HBFYCOSDWMFLQJ-UHFFFAOYSA-N 387.447 0.892 30 10 GCEE 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Cn1cc([C@@H](N)C#CC2(S(C)(=O)=O)CC2)c(I)n1 2319406318 OOEZAAWIWLCVKK-VIFPVBQESA-N 379.223 0.605 30 10 GCEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2339665981 GRHVPDJAFXQSBH-PBFPGSCMSA-N 390.502 0.056 30 10 GCEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1c(CNC(=O)OC(C)(C)C)nnn1C 2365202454 DWHZBJLEPBLHLF-LBPRGKRZSA-N 399.517 0.927 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)C1 2368812457 FYVKHKMMMPRYBA-NXEZDXNNSA-N 376.457 0.679 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 32490050 OBSURXKWLHQFOZ-UHFFFAOYSA-N 392.475 0.713 30 10 GCEE Cn1c(C2CCN(S(C)(=O)=O)CC2)nn(Cc2ccccc2C#N)c1=O 38901006 QAAXXPIDVNUZDN-UHFFFAOYSA-N 375.454 0.641 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2CCCC[C@@H]2C1 152735810 XQCXDBAUKZHNKQ-GOEBONIOSA-N 376.482 0.922 30 10 GCEE CN(C(=O)CCN(c1ccccc1C#N)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 240738171 APMGFEOIXFRDGI-CQSZACIVSA-N 399.494 0.360 30 10 GCEE COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2C)cc1OC 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0.999 30 10 GCEE N#Cc1ccccc1CSCCNC(=O)N1CCN(CC(N)=O)C(=O)C1 457527048 STPYVIJLSCTWAQ-UHFFFAOYSA-N 375.454 0.131 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 462568430 DZKNWLLDTQSPJW-XPKDYRNWSA-N 377.466 0.890 30 10 GCEE CC(C)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 479847240 IAUAOSRDGZSVFO-CQSZACIVSA-N 392.481 0.552 30 10 GCEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 480967796 SDDBAXIKKKKZKP-WFASDCNBSA-N 394.453 0.477 30 10 GCEE CCOC1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c2)C1 519611066 KVIJXEBCCOTSIW-LBPRGKRZSA-N 387.483 0.629 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 542825795 QCNCQHBJVCZWPT-CYBMUJFWSA-N 383.460 0.897 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)n1 544835320 IXFGLDAGGNMZJK-UHFFFAOYSA-N 389.419 0.797 30 10 GCEE C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)CN1CCN(C)CC1 544857040 WWWUICNLDVFERL-QGZVFWFLSA-N 385.516 0.668 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 569120899 VQAVBWRESAETRP-OLZOCXBDSA-N 387.483 0.365 30 10 GCEE C[C@H]1CSC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 574054168 UOASTUNMMSHQNV-SMDDNHRTSA-N 389.524 0.860 30 10 GCEE Cc1csc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1C#N 581734286 GSELJHFUXLNXED-UHFFFAOYSA-N 377.470 0.937 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1 583823164 MIUFJGQIJXGBAP-UHFFFAOYSA-N 398.510 0.205 30 10 GCEE C=C(C)Cn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCNCC2)c1 585865762 ONJUPXOCXWVDDE-UHFFFAOYSA-N 378.458 0.519 30 10 GCEE CCOC(=O)c1c(NC(=O)N2C[C@H](O)C[C@H]2COC)c(C#N)cn1CCOC 593181236 LNOIHSUFQDOKIQ-UONOGXRCSA-N 394.428 0.796 30 10 GCEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 595835075 NISQJFVGXKSFJD-GOSISDBHSA-N 394.472 0.894 30 10 GCEE N#Cc1ccnc(C(=O)NCCN2CCN(C(=O)c3cc(C#N)ccn3)CC2)c1 597658079 JOCYCXUYRXPDSL-UHFFFAOYSA-N 389.419 0.408 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(N)=O)C2)cc1C(F)(F)F 599499049 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COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 747268326 SWLHMKJESFOGOX-AWEZNQCLSA-N 379.438 0.843 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(=O)NCc2ccco2)C1 758313111 BFDWVDBMJYXKGV-JSGCOSHPSA-N 391.428 0.954 30 10 GCEE N#CCOc1ccc(Cl)cc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 766252833 UBYUBLVVCHHWPD-HOTGVXAUSA-N 399.900 0.518 30 10 GCEE COc1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnc1Cl 767772702 GWWDENJELQXPOL-OWBHPGMISA-N 386.817 0.548 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)C1=O 771655889 ZFOIYJSVAAQAKV-OAHLLOKOSA-N 389.383 0.827 30 10 GCEE C#CCN(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 774044830 SMGDWDUEGGPXCI-HNNXBMFYSA-N 399.494 0.390 30 10 GCEE C#CCN(C(=O)Nc1ccc(OCCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 774048577 NNCOZTMQMIOESR-CQSZACIVSA-N 379.438 0.595 30 10 GCEE C#CCN(C(=O)NCc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 774162459 LBNFSKAWLIOGNA-KRWDZBQOSA-N 393.509 0.959 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)ccc1F 775545192 LQGBUMPOLNYXSA-GFCCVEGCSA-N 394.432 0.823 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 783480490 RBQZXMRZGLFAPX-GFCCVEGCSA-N 384.841 0.936 30 10 GCEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C)[C@@H]1CCS(=O)(=O)C1 809876055 WLWKREZZIJYAIK-GFCCVEGCSA-N 398.448 0.758 30 10 GCEE Cc1c(Br)c(C)n(NC(=O)c2cnc(O)n(C)c2=O)c(=O)c1C#N 816411190 VPJCWIJIQFFRFO-UHFFFAOYSA-N 394.185 0.283 30 10 GCEE C#CCN(CC(=O)N1CC[C@H](N(C)C)[C@@H]1C)CC(=O)N1CC[C@H](N(C)C)[C@@H]1C 823161710 TYYGARXLVDCMPD-VJANTYMQSA-N 391.560 0.024 30 10 GCEE C=CCn1cc(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1 824731151 HJJAFMWTPBLKKX-GXTWGEPZSA-N 380.449 0.491 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCN(C(=O)CC#N)CC2)C1 826953760 HSSFTAPYTYTYKK-OAHLLOKOSA-N 394.472 0.987 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([S@@](C)(=N)=O)CC2)c1 828787056 DJHDNPSNTCEYNY-XMMPIXPASA-N 383.495 0.833 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCCN2CCO)c1 833566128 RHZYXUXOJAUCQO-MRXNPFEDSA-N 379.482 0.175 30 10 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C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@H]2CN(C)C[C@@]2(C)C1 1122530537 JSLTWQHYMBDDMB-VLIAUNLRSA-N 399.499 0.307 30 10 GCEE N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCCC1 1133069868 ILRSMVMPOPUMKN-MRXNPFEDSA-N 390.465 0.619 30 10 GCEE CNC(=O)NC[C@H]1COCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1175291958 MVFDGSQNDFIFAM-HNNXBMFYSA-N 399.455 0.307 30 10 GCEE N#C[C@@]12CN(CC(=O)NCCCOC3CCCCC3)C[C@H]1CS(=O)(=O)C2 1198071762 KNFVNIBTGBDSCF-YJBOKZPZSA-N 383.514 0.712 30 10 GCEE CN(C)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1221076526 BJJHGGFOQOGXKF-INIZCTEOSA-N 384.440 0.293 30 10 GCEE C#CCN1CCC[C@H](NC(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)C1 1248677178 WOUDNDOQXJDXKU-HNNXBMFYSA-N 388.472 0.968 30 10 GCEE Cn1cnc2c1c(=O)n(CC(=O)N1CCCc3c(C#N)cccc31)c(=O)n2C 1261497689 HQKMRTIGVURCTR-UHFFFAOYSA-N 378.392 0.285 30 10 GCEE C=C(Br)CNC(=O)C(=O)NC1CCN(C(=O)CCCNC)CC1 1261636509 MHGDFJUMPHRBCI-UHFFFAOYSA-N 389.294 0.118 30 10 GCEE C=CCn1c(-c2cnn[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1262991617 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0.813 30 10 GCEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C 1303635987 HHTLCFNFLPYOHI-CQSZACIVSA-N 391.501 0.894 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2c(C)nn(C)c2C)c1 1305509969 LHRWPLYYYMAUMM-INIZCTEOSA-N 392.481 0.965 30 10 GCEE CC(=O)N1Cc2ccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C1 1310381911 BQTKRRVOVRMMHA-YJBOKZPZSA-N 388.449 0.951 30 10 GCEE COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 1320657040 DMWYQHRGPZFXIG-CCEZHUSRSA-N 376.344 0.415 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 1322070485 ATPBNDCFJKBGTM-KIJUOZEOSA-N 397.435 0.576 30 10 GCEE C=CC[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC 1324987087 BXXJXBDDOYTWCV-SJKOYZFVSA-N 381.429 0.226 30 10 GCEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCC(N(C)CCCO)CC1 1329831179 SAFMXBDNHZCHBM-UHFFFAOYSA-N 386.496 0.864 30 10 GCEE CC1(C)CC[C@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)OC1 1332986886 IQXRBFBITBWQGH-MRXNPFEDSA-N 385.468 0.923 30 10 GCEE CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F 1338106253 WOFPNCLNRSUNQU-LLVKDONJSA-N 397.353 0.967 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(Cl)c1 1338127460 WYZVVLDVNXNBEO-LLVKDONJSA-N 383.857 0.752 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N[C@H]2C)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1338879423 NVENIIPHUHJKIB-FQUUOJAGSA-N 379.486 0.327 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1341885056 APKIADBFJJIBKB-BBRMVZONSA-N 385.490 0.460 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](c1ncccc1C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1342090024 SEDOTVPLBIEDJY-HZPDHXFCSA-N 391.493 0.852 30 10 GCEE C#CCN1CCN(c2nnc([C@@]3(OC)CCOC3)n2C[C@H]2CCCCO2)CC1 1345036134 APMOZYWOHAGSJQ-YLJYHZDGSA-N 389.500 0.864 30 10 GCEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)N2)n1C[C@H]1CCCO1 1345581710 XJMGYLVDTRLWCL-ZIAGYGMSSA-N 385.490 0.460 30 10 GCEE Cc1cccc([C@H](C)CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1346275858 FRQFGZBQLYJJGM-MGPWXQLLSA-N 384.436 0.857 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)C1CCOCC1 1350278036 DOAVUNKRDKYAET-OAHLLOKOSA-N 398.423 0.462 30 10 GCEE Cc1cccc(CN2CCO[C@@H](CNC(=O)C(=O)N3CCO[C@H](C#N)C3)C2)c1 1351834194 CXSYLHLZXYJVLM-MSOLQXFVSA-N 386.452 0.063 30 10 GCEE C=CCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1356134752 PPCOZFYWEAOPQO-UZLBHIALSA-N 388.516 0.967 30 10 GCEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1358951337 SDRFCFGCIXRRER-ZDUSSCGKSA-N 387.469 0.691 30 10 GCEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(C)c1C 1359018195 HSQBDHULGIQZQM-UHFFFAOYSA-N 399.499 0.999 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC)C1 1359321564 IDVJSKHZIXSPDW-HUUCEWRRSA-N 399.517 0.802 30 10 GCEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1360053700 AIFCILKJIJYEBA-HNNXBMFYSA-N 383.491 0.808 30 10 GCEE CNC(=O)[C@H](NC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O)c1ccccc1 1459216501 COXRAPZSVZUFSF-QGZVFWFLSA-N 395.419 0.129 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2cccnc2)s1 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1540069908 ZCCPGNLIKIBYAQ-ZDUSSCGKSA-N 384.506 0.523 30 10 GCEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)C 1540876456 RPTYLDHJTLEZMF-SFHVURJKSA-N 395.529 0.893 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1540905228 RQXBFGYXBBQPJM-CQSZACIVSA-N 383.518 0.744 30 10 GCEE COC[C@]1(C(=O)Nc2cnn(CC#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1542388079 LPBZZUUEXJUNQI-KRWDZBQOSA-N 379.417 0.998 30 10 GCEE COC(=O)CCN(CC#N)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 1560079714 GGHIWHSTTCZZQQ-CQSZACIVSA-N 375.425 0.894 30 10 GCEE C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OC 1561639996 AAGDWQOGIMAYKB-KRWDZBQOSA-N 378.450 0.477 30 10 GCEE N#Cc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 1585050426 DLXZYQGVLJHODG-ZDUSSCGKSA-N 392.412 0.479 30 10 GCEE C=C[C@@](C)(O)C(=O)N1CCC[C@@H](n2nncc2I)C1 1588403581 GNBVTQTUSIJYHB-BXKDBHETSA-N 376.198 0.983 30 10 GCEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1589060587 UEXNFTUPRPOKCY-UGSOOPFHSA-N 388.497 0.312 30 10 GCEE 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395.462 0.953 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 600103700 XQMKMZHGWGCZIF-ZDUSSCGKSA-N 394.453 0.293 30 10 GCEE C[C@H](C#N)CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CC1 611088637 BHYAUFURPLJJBX-CYBMUJFWSA-N 380.470 0.810 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(OC3CC3)c2F)C1=O 618141791 RWMOTEAUVLOWEW-UHFFFAOYSA-N 375.356 0.960 30 10 GCEE O=C(CN1C(=O)CSc2ccccc21)NCCN/C(O)=C1\N=CC=CC1=O 731863182 SKTJRPQNBAOGCB-ISLYRVAYSA-N 386.433 0.768 30 10 GCEE COC1(c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CCOCC1 771725854 ZEZOKKOXIZKLKK-UHFFFAOYSA-N 378.410 0.960 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C)n([C@H](C)CC)n1)[C@@H]1CCS(=O)(=O)C1 783481121 NGMZDAGRPKCMKG-TZMCWYRMSA-N 380.470 0.750 30 10 GCEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2nnnn2C)C1=O 790728315 UHYIVXAKIBJETN-SNVBAGLBSA-N 379.471 0.582 30 10 GCEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(C(F)F)n1 812277231 RTJLUHACCDRNIF-UHFFFAOYSA-N 378.404 0.990 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(OC)c(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 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C=C1[C@@H](C(=O)NCC2(n3cccn3)CC2)[C@@H]1C(=O)NCC1(n2cccn2)CC1 1123985885 HFJPSBWLMXBNTH-HZPDHXFCSA-N 380.452 0.793 30 10 GCEE N#Cc1cn(CCC(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)c(=O)nc1O 1147527591 PKTYVHAPJKCEDQ-HNNXBMFYSA-N 382.355 0.979 30 10 GCEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CO)[C@H](O)c1ccccn1 1171167147 IKBSCPFTUCUEDL-PKOBYXMFSA-N 394.435 0.756 30 10 GCEE CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(O)nc1=O 1175570694 KQGZFCKRYPPUDK-CYBMUJFWSA-N 381.392 0.510 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1262635075 DTISDWCOUYZZNO-DLBZAZTESA-N 395.500 0.853 30 10 GCEE C=CCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1262988453 SPKYWTAVVRRONW-KXBFYZLASA-N 376.505 0.680 30 10 GCEE C=C[C@H](O)c1nnc(N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)n1CCOC 1263263870 WYOUIAQJWQSLLL-BIENJYKASA-N 394.472 0.938 30 10 GCEE C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1263280128 AMELEKUQWSVAJK-CHWSQXEVSA-N 377.474 0.521 30 10 GCEE 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2282863507 SICZQOKMCOPNDN-CQSZACIVSA-N 378.259 0.899 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@H]4[C@@H](O)C[C@H]4C3)c2)OC1(C)C 2282865235 QYSPEIBHQHZQIZ-MAZHCROVSA-N 379.287 0.987 30 10 GCEE CC[C@@H](O)CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282873185 HXINJMKIECFGBB-GFCCVEGCSA-N 387.311 0.467 30 10 GCEE Cc1nc(S(=O)(=O)N(C)[C@@H]2CCNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873805 QEHIWHSTCAZBSB-GFCCVEGCSA-N 384.311 0.010 30 10 GCEE CC1(C)OB(c2nccnc2C(=O)NC[C@H](O)CC(F)(F)F)OC1(C)C 2283072559 RBNVLWMYRXCBNX-SECBINFHSA-N 375.156 0.819 30 10 GCEE CC1(C)OB(c2cscc2C(=O)N2CC[C@@](CO)(C(=O)O)C2)OC1(C)C 2284392575 ZBIJZBYMAHJMJK-QGZVFWFLSA-N 381.259 0.957 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)NCCSCCO)c2)OC1(C)C 2335664022 CPKRLHXLGWLWAT-UHFFFAOYSA-N 387.332 0.990 30 10 GCEE CC1(C)OB(c2cc(Cl)cnc2NCCCNS(N)(=O)=O)OC1(C)C 2339430598 DFURCTAWFKMPLY-UHFFFAOYSA-N 390.702 0.629 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(CC(=O)C#CC(C)(C)S(C)(=O)=O)nn1 2339675078 CIZLPGPDTOHVEX-UHFFFAOYSA-N 384.458 0.699 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccnn1C1CC1 2342019261 PUAOMLBBWYMFJR-GJZGRUSLSA-N 382.486 0.835 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2342061337 MJJIODWNOXBKFD-ZNMIVQPWSA-N 386.514 0.902 30 10 GCEE CCN[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 2342456262 HIOJFCFJIHVFGS-XFIYOXNOSA-N 386.514 0.798 30 10 GCEE CN([C@@H]1CNC[C@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2343621210 GMVWEBFLQOVHPS-VXGBXAGGSA-N 390.311 0.978 30 10 GCEE C#CC1(O)CCN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CC1 2351739885 JDJRTJBDAYMEHA-UHFFFAOYSA-N 386.470 0.007 30 10 GCEE C#CCN(C)CCCNC(=O)[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2358186827 CZPIDNMCJPNLFY-BZUAXINKSA-N 383.489 0.707 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)[C@@H](C#N)c1ccccc1 2358562742 KEZHJGNKZREIPC-JJXSEGSLSA-N 375.425 0.751 30 10 GCEE C#CCCN(CC(=O)O)C(=O)[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2361630490 UEHFGKGTWKNFIL-BPLDGKMQSA-N 384.429 0.572 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2361658467 JTKMENTZEMMSFG-SMDDNHRTSA-N 380.275 0.193 30 10 GCEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1COC[C@H]1C(=O)O 2362497780 CWJNEPCSRCLUEE-MNOVXSKESA-N 382.247 0.614 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H](N)CC[C@H]2C(=O)O)OC1(C)C 2362565487 FHJCOKKOWIKODL-ONGXEEELSA-N 381.263 0.459 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@]3(CNC(=O)C3)C2)OC1(C)C 2362575192 ZBDCGVNDPMTZGM-QGZVFWFLSA-N 377.275 0.795 30 10 GCEE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364879085 UQSDIFMVNRSILE-RDBSUJKOSA-N 384.669 0.591 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2C1=O 32461974 LFGDSBPICONXOE-UHFFFAOYSA-N 377.422 0.186 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)NCc3cccnc3-n3cncn3)CC2)nc1 50140951 OPGPEOYHYIHBHM-UHFFFAOYSA-N 389.423 0.961 30 10 GCEE Cc1nnc(SCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1N 53381376 MLDBPEAFVFKLKG-UHFFFAOYSA-N 375.433 0.752 30 10 GCEE Cc1ccc(S(=O)(=O)/N=C(\O)N2CCN(C(=O)CCN(C)C)CC2)cc1 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C=CCOC[C@H]1NC(=O)N([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C1=O 348984118 LTCKEFCXMVSTTI-DZGCQCFKSA-N 379.438 0.573 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCCNC2)n1 415337654 UUWRYGDHTHNWHI-GFCCVEGCSA-N 386.843 1.452 30 10 GCEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1 416528593 BOIXUHOMMWPINZ-CYBMUJFWSA-N 375.244 0.829 30 10 GCEE C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 440363537 BNSBVRSOTAFANN-CQSZACIVSA-N 381.454 0.860 30 10 GCEE N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O 440383382 LDYJBFFAZIHNTK-LBPRGKRZSA-N 396.494 0.910 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(CCO)CCOC1 483108816 KENJDEHNEJHYBM-DYVFJYSZSA-N 381.454 0.130 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3ccc(C)nc23)CC1 491238672 WQXPJPYQSMEFPO-UHFFFAOYSA-N 395.463 0.928 30 10 GCEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 525905368 CHGRISXABBQDBH-UHFFFAOYSA-N 390.444 0.140 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 568252149 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CC1(C)OB(c2csnc2C(=O)N2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2267476608 AGNBCPVXQHACHU-JTQLQIEISA-N 386.304 0.701 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C(=O)O)[C@H](O)C(F)(F)F)C1 2281237536 AQKKCDQPUVFHRU-XJGHLBKUSA-N 394.346 0.786 30 10 GCEE C[C@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2281968537 XSBCUOYNCYGFQE-CMPLNLGQSA-N 383.279 0.025 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 2282040831 ODUPCJZMBNQNLD-LBPRGKRZSA-N 382.291 0.852 30 10 GCEE CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303124 RMZYSEYRNARVCF-ZIAGYGMSSA-N 382.291 0.819 30 10 GCEE Cc1cc(S(=O)(=O)N[C@H](C)c2nn[nH]n2)sc1B1OC(C)(C)C(C)(C)O1 2282323737 GIYQJPDUBFRPRO-SECBINFHSA-N 399.307 0.908 30 10 GCEE CC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)NC 2282329644 PJUDBKPHCHXQGZ-ZDUSSCGKSA-N 383.279 0.184 30 10 GCEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCOC[C@H]3CO)c2)OC1(C)C 2282336237 ACXUJTDRBCUYDS-CQSZACIVSA-N 383.275 0.368 30 10 GCEE 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393.509 0.484 30 10 GCEE C[C@@]1(CS(=O)(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1(Cl)Cl 921826387 VTSMSULFOGXFCO-VWYCJHECSA-N 387.310 0.770 30 10 GCEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 930556017 IFXVDJADRZVXEI-UHFFFAOYSA-N 381.454 0.938 30 10 GCEE C#C[C@H]1COCCN1C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC 930703441 JDMUPPKRRIMZNJ-RDJZCZTQSA-N 385.420 0.733 30 10 GCEE C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C[C@H]2OC)nn1 941843587 ZTIMJJRKGQQUBI-LUYZLQTOSA-N 375.429 0.011 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1OC 941976944 XQYDOLOUWQQPMG-BORJPKMPSA-N 393.440 0.685 30 10 GCEE Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)nn1CCC#N 1116434304 HLUQMUDTQBSENU-UHFFFAOYSA-N 389.437 0.634 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N1Cc2cccc(C#N)c2C1 1118296210 CANFPPFTAMDMAJ-XJKSGUPXSA-N 390.465 0.235 30 10 GCEE C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1119000823 UUNKRUBTAXRVBU-UHFFFAOYSA-N 380.489 0.691 30 10 GCEE 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C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CC(N)=O)CC1 1749676153 GUJRNAKSVMQMCE-UHFFFAOYSA-N 397.483 0.658 30 10 GCEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749676900 HJZFRAHCSUHRQB-OAHLLOKOSA-N 387.488 0.527 30 10 GCEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1C(C)(C)C 1749739591 HFWCRBVIZIJDNO-CYBMUJFWSA-N 383.518 0.843 30 10 GCEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749756240 VHKZDYXODJUNFI-KGLIPLIRSA-N 378.502 0.915 30 10 GCEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)on1 1751975264 BHAOMRLVMXNDAW-MLGOLLRUSA-N 394.432 0.967 30 10 GCEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nccn1C 1757719328 SCNRBBCOOOMFIH-MMMWYMCRSA-N 376.457 0.512 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1(NC(N)=O)CC1)C2 1757855559 AKMMPXRUOMVMIY-LJPSSGMGSA-N 376.457 0.276 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1758295507 KKYCMTCDOWWGGW-SGYMCOKNSA-N 389.496 0.988 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)CC 1760209428 CNBUWYSUAPNKMY-YOEHRIQHSA-N 381.502 0.512 30 10 GCEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCN1CCCC1 1850255102 GGQQNGCUSQJWFA-MRXNPFEDSA-N 394.497 0.660 30 10 GCEE N#CC1CCN([C@@H]2CCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1853680909 RDIRGQNHTBWZCP-NVXWUHKLSA-N 386.456 0.681 30 10 GCEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cccc3c2OCCO3)C1=O 1854194679 VMQHYFITDLWLDB-HOTGVXAUSA-N 399.447 0.918 30 10 GCEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C3CC(=O)C3)C2=O)CC1 1854825689 JQDBWPOPEANMCZ-SFHVURJKSA-N 395.463 0.962 30 10 GCEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)CN3CCCS3(=O)=O)C1=O)CC2 1855075077 FZFGWNVEIBGWTM-HUUCEWRRSA-N 394.497 0.165 30 10 GCEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1855464919 SIVCXOHMLLOGAJ-HNNXBMFYSA-N 397.439 0.652 30 10 GCEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@@H]3Cn3ccnn3)CC2=O)ccn1 1856691934 NAIABZRQOKGCCH-RHSMWYFYSA-N 379.424 0.698 30 10 GCEE Cc1cc(=O)n(CC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)cn1 1856983375 KEOGLRYABLSYQG-KRWDZBQOSA-N 385.468 0.943 30 10 GCEE C[C@H]1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1856989257 OEWWTLIWKDEJJX-XJKSGUPXSA-N 375.450 0.808 30 10 GCEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCS(C)(=O)=O)C[C@@H]32)OC1(C)C 1974050191 NBXCAUOFGMRVQZ-GDNZZTSVSA-N 379.309 0.385 30 10 GCEE CS(=O)(=O)CNC(=O)Oc1c(N)cc(C#N)cc1I 2138362476 WLWDRABIUPMYFC-UHFFFAOYSA-N 395.178 0.836 30 10 GCEE CC(C)(C)OC(=O)N1CCN(CC23CC(C#N)(CO2)C3)[C@H]2CS(=O)(=O)C[C@@H]21 2165169132 BBSGIAVRDUZNMB-DIOPXHOYSA-N 397.497 0.777 30 10 GCEE C=CCN(CCC(=O)O)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180379298 OXGAGOGKEUMHST-ZDUSSCGKSA-N 383.445 0.944 30 10 GCEE C#CCN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CCOCC1 2197480611 IPSACOZMZLTKQJ-HNAYVOBHSA-N 382.457 0.360 30 10 GCEE C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CCNCC1 2200966826 KCCKYUZIULBMAJ-QLFBSQMISA-N 383.489 0.532 30 10 GCEE N#C[C@]12CN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2211947396 AVSFORZAZLVHAV-PXAZEXFGSA-N 375.406 0.227 30 10 GCEE CC(C)(C)OC(=O)N1CCOC[C@H]([C@H](O)C(=O)C2=CCS(=O)(=O)CC2)C1 2224347872 JMNPXQVBPLFPLJ-HIFRSBDPSA-N 389.470 0.545 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)c1ccc(C#N)cc1F 2233980730 ZIQRKMUKZKZBQW-SOUVJXGZSA-N 379.388 0.768 30 10 GCEE C#CCC1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2244224516 PPBKULWLKGSHSK-OAHLLOKOSA-N 380.422 0.651 30 10 GCEE C=C(CS(=O)(=O)N[C@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2255794486 MHSQOCCJDXGZNA-LBPRGKRZSA-N 379.309 0.671 30 10 GCEE CNC[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255799766 NPVUOUAXIRIGRR-JTQLQIEISA-N 375.325 0.470 30 10 GCEE COC[C@H](O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255949086 SRJIDWHCHNBAGZ-SNVBAGLBSA-N 377.293 0.333 30 10 GCEE CON1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2267372444 OTNUFJNTBNZFNO-UHFFFAOYSA-N 388.320 0.915 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(C(N)=O)C2)OC1(C)C 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30 10 GCEE COCCC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282353490 VXLQKYCYAMPTJZ-UHFFFAOYSA-N 385.295 0.567 30 10 GCEE CC[S@](C)(=O)=NCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282486447 QXQYGKNCEHFNIC-SANMLTNESA-N 384.311 0.567 30 10 GCEE COc1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1B1OC(C)(C)C(C)(C)O1 2282492648 SCVPJOHHUBEUFF-UHFFFAOYSA-N 380.235 0.913 30 10 GCEE C=C(CS(=O)(=O)N1CC[C@]2(O)CCOC[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282496362 ZOBHZWMBPAKCSY-PBHICJAKSA-N 387.307 0.977 30 10 GCEE COC[C@@H]1CC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282499530 PXZJXXCMZYPEGK-WCQYABFASA-N 385.295 0.423 30 10 GCEE COc1ccc(S(=O)(=O)N(C)C[C@@H](C)N)cc1B1OC(C)(C)C(C)(C)O1 2282504232 LXPJGWHHOXTJRL-GFCCVEGCSA-N 384.307 0.962 30 10 GCEE Cc1nc(S(=O)(=O)N2CC[C@](C)(N)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508284 UIAADANWGOCNOX-INIZCTEOSA-N 384.311 0.140 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2282583335 IPKLOGHPHFUICG-OBJOEFQTSA-N 385.266 0.871 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CO)OC[C@@H]1C 2282585161 ZLGOJRDDVRQFDJ-CMPLNLGQSA-N 382.291 0.973 30 10 GCEE C#C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)C 2282832053 IQADSMVYBOBGCO-NSHDSACASA-N 382.295 0.441 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)n1 2282835539 WKQSBQXSHBHZBB-BYNQJWBRSA-N 379.291 0.748 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC[C@H]1N 2282854770 VVEWIOIWNCHNDT-NWDGAFQWSA-N 384.311 0.077 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)CCCO)cc2)OC1(C)C 2282858146 SDKGWOIVVHYBAV-AWEZNQCLSA-N 385.291 0.398 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](C(F)F)C1 2282864190 ZQVJKHDYBBMKEB-SNVBAGLBSA-N 391.249 0.995 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC[C@H]3CCO)c2)OC1(C)C 2282867540 AMOLDVXVNGQKFE-AWEZNQCLSA-N 382.291 0.916 30 10 GCEE COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2282882936 STNQPXNBQCIICT-TXEJJXNPSA-N 383.275 0.796 30 10 GCEE CCn1cc(C(=O)N[C@@H](CSC)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2284463055 QSWBTKSWWDERKB-NSHDSACASA-N 383.279 0.748 30 10 GCEE CS[C@@H](C)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2284467139 BXTXUHXRBJVNRH-JOYOIKCWSA-N 383.279 0.654 30 10 GCEE CCn1cnnc1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2287624724 UTFAHWYZHURXJQ-UHFFFAOYSA-N 382.255 0.132 30 10 GCEE C=CCC1(CO)CCN(C(=O)[C@@H]2CNC(=O)CN2C(=O)OC(C)(C)C)CC1 2287763010 DDQIOPXSDCZWRF-AWEZNQCLSA-N 381.473 0.899 30 10 GCEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CC(NC(=O)OCc3ccccc3)C2)CC1 2302952971 SKVDOVBJZXCADQ-KOHRHEQBSA-N 392.477 0.714 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)n1 2359282966 WKQSBQXSHBHZBB-SFTQSGBHSA-N 379.291 0.748 30 10 GCEE CC1(C)OB(c2ccccc2C(=O)NCCS(=O)(=O)CCO)OC1(C)C 2360920154 VOZUPMJCTNZDFO-UHFFFAOYSA-N 383.275 0.123 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NCCCN2CCOCC2)OC1(C)C 2362506637 BLFOLGASUDPWLY-UHFFFAOYSA-N 381.307 0.894 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CCOCCC23CNC3)OC1(C)C 2362572363 ZRZXKAXCVOVWQE-UHFFFAOYSA-N 379.291 0.647 30 10 GCEE CC#CCN(CC(=O)N1CCC(C(=O)NCCO)CC1)C(=O)OC(C)(C)C 2363018433 XIBZLRVWKOSULO-UHFFFAOYSA-N 381.473 0.594 30 10 GCEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)nn1 2368816046 UDMVOSGPVPHCSF-OBJOEFQTSA-N 375.433 0.190 30 10 GCEE Cc1scc(C(=O)N=c2nc(CN)[nH]n2C)c1B1OC(C)(C)C(C)(C)O1 2369516839 OCQRNJQCUBSXIC-UHFFFAOYSA-N 377.279 0.617 30 10 GCEE C#CCNS(=O)(=O)N1CCN([C@](C)(COCc2ccccc2)C(=O)O)CC1 2378967344 RUAGAJLGOUPBLY-GOSISDBHSA-N 395.481 0.132 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)N(C)c2ccccc2C(=O)OC)CC1 22849349 WHDSARVFJWQLEY-UHFFFAOYSA-N 388.468 0.356 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](c3nccs3)C2)c1=O 195309563 STOLRILETNJWIN-CQSZACIVSA-N 389.481 0.837 30 10 GCEE N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254451152 ZFWYSPSSMZZVEA-GXFFZTMASA-N 379.419 0.930 30 10 GCEE CC(C)[C@]12O[C@@H]1[C@]13O[C@@H]1C[C@@H]1C4=C(CC[C@]1(C)[C@]3(O)[C@H](O)[C@@H]2O)C(=O)OC4 257416810 FMCYKVIHEKZEQY-FXSBQHSFSA-N 378.421 0.058 30 10 GCEE biogenic N#Cc1nccn1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 270407568 MRMWJOYASXYIRH-MRXNPFEDSA-N 381.392 0.266 30 10 GCEE COc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)cc1 288114617 LBANHHGVSMVOFU-INIZCTEOSA-N 384.436 0.628 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 288212784 UTAKPZRGCCIJMK-UHFFFAOYSA-N 376.438 0.349 30 10 GCEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H](O)C2)CC1 295729811 VVEHVIONNJSYJB-QZTJIDSGSA-N 376.432 0.228 30 10 GCEE C[C@@H]1CN(C(=O)Cn2cc(N=C(O)N[C@@H]3C[C@H]4CC[C@H]3O4)cn2)C[C@@H](C)O1 329909030 URXMUNQXPMALQZ-CCECPURYSA-N 377.445 0.974 30 10 GCEE C[C@H]1[C@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@H]1C#N 349605956 IOZUZSJOJHBEKP-HZSPNIEDSA-N 395.572 0.707 30 10 GCEE N#C[C@@H]1CN(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCN1C1CC1 369229014 DCMRUWZZSOPAEY-MRXNPFEDSA-N 382.424 0.942 30 10 GCEE C[C@H](C(=O)NCc1cccc(OCCN2CCOCC2)c1)n1cnc(C#N)n1 409566228 VULORFWROXXMMK-OAHLLOKOSA-N 384.440 0.738 30 10 GCEE C[C@H](C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)n1cnc(C#N)n1 410020729 QUQMBBXADMYKHF-LLVKDONJSA-N 380.405 0.287 30 10 GCEE N#Cc1ccc(OC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 410141229 ULZJQVLPBXWDGT-KRWDZBQOSA-N 376.438 0.871 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)O)C2)c(C#N)cn1CC 421237482 RJXJHPNMFRKAPX-YPMHNXCESA-N 392.412 0.103 30 10 GCEE C=CCNC(=O)CN1CCN(Cc2cc3c(cc2OCCOC)OCO3)CC1 506259986 STSGKUSKBVXPIQ-UHFFFAOYSA-N 391.468 0.860 30 10 GCEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 523463283 GYVIDNUHSMTNMK-UHFFFAOYSA-N 384.396 0.541 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)C2CC2)CC1 528331951 VPUKWTJYKUFJRC-HNNXBMFYSA-N 397.501 0.556 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)CC1 531398748 BKSCRIXESLQZIB-UHFFFAOYSA-N 382.823 0.864 30 10 GCEE CNS(=O)(=O)c1csc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546904295 ZEKYCAKREQTZLV-UHFFFAOYSA-N 391.478 0.885 30 10 GCEE CC(C)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 559419089 ZHHKFENUNUEOLW-UHFFFAOYSA-N 378.454 0.163 30 10 GCEE C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 563073047 VTBQAWSBBBZARG-YJBOKZPZSA-N 385.468 0.367 30 10 GCEE CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C(=O)CC#N)CC2)s1 563379415 RVWBKHHSTPTPJH-UHFFFAOYSA-N 378.458 0.965 30 10 GCEE CN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 564350811 TUBLYFYYYCASJN-ZDUSSCGKSA-N 386.499 0.203 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1 565842907 JPUBDNYILMIBKZ-UHFFFAOYSA-N 383.455 0.043 30 10 GCEE C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 571658328 XIXIZKYKDYFEQF-OLZOCXBDSA-N 399.494 0.412 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2nn(C)c(C)c2Cl)c(=O)n1CC(C)C 578636083 MRSVTYJPXWWTGD-UHFFFAOYSA-N 393.900 0.510 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)c2ncc(C)s2)CC1 584000717 VJTFPVCYSGWWRR-CYBMUJFWSA-N 393.513 0.118 30 10 GCEE N#CCC1(CS(=O)(=O)NC[C@]2(CO)COCCN2Cc2ccccc2)CC1 595360083 XUOWWKMPMTUDIE-IBGZPJMESA-N 393.509 0.863 30 10 GCEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]12 595787695 GLRVFOMRJMNPOC-XHSDSOJGSA-N 384.479 0.076 30 10 GCEE COC[C@@]1(C(=O)OC)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 597951603 ANPDZMMRESOOEX-QGZVFWFLSA-N 395.437 0.017 30 10 GCEE C=CCOc1ccc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1 598909863 HVJPUGXTAYGGRE-ZFWWWQNUSA-N 387.392 0.559 30 10 GCEE CC(C)NC(=O)c1nnc(N2CCN(CCC#N)CC2)n1C[C@H]1CCCO1 601883844 CZKYEKQYSSIVCA-OAHLLOKOSA-N 375.477 0.631 30 10 GCEE C=CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C1 669265368 BKCCLSVFCTWVAU-JKSUJKDBSA-N 387.484 0.842 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 673465045 HKZSUUHSPAUJGH-HZPDHXFCSA-N 394.516 0.143 30 10 GCEE COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2O1 732707274 YYXUPPOFNMAIKC-PBHICJAKSA-N 398.419 0.152 30 10 GCEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1OCC#N 735772719 VLCYXZZMYMVRCF-ZDUSSCGKSA-N 381.410 0.591 30 10 GCEE COc1cc(F)ccc1N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746404976 BVMVZWBPBFZKQT-UHFFFAOYSA-N 386.387 0.842 30 10 GCEE COc1ccc(CNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1C#N 747233529 PNQSOBUBZQZSCQ-UHFFFAOYSA-N 394.391 0.834 30 10 GCEE N#CCNC(=O)COC(=O)c1cc(SCC(=O)NCC#N)ccc1Cl 750952692 MHIQTXGJXZAYEX-UHFFFAOYSA-N 380.813 0.868 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(C)CC1CC1 767675578 JUWLPBWKAKCRRV-LBPRGKRZSA-N 379.438 0.637 30 10 GCEE COc1ccccc1/C=C\C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888701 FQYSECOYWCLCCG-BOYPLJHRSA-N 378.410 0.070 30 10 GCEE C#CCN(C(=O)Nc1cccc(OCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 774022170 ITQXGDWYWGYXRL-CQSZACIVSA-N 380.422 0.893 30 10 GCEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCS(=O)(=O)C1 774043845 OAOXZOBKROJIBE-CYBMUJFWSA-N 385.467 0.249 30 10 GCEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780204780 IXXFNVTTZUMJIL-CJNGLKHVSA-N 389.408 0.824 30 10 GCEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1 805158385 YBFDNOIIIDMUIW-CQSZACIVSA-N 383.449 0.767 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 812288081 UPVURTSHPVCIMJ-KKUMJFAQSA-N 397.501 0.248 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2COCCC2(OC)OC)c1 826919639 BFRPVBZAERPRAV-INIZCTEOSA-N 381.450 0.991 30 10 GCEE C#C[C@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 839197810 JRYJTPKOLOINOO-INIZCTEOSA-N 379.482 0.990 30 10 GCEE C#C[C@@H]1COCCN1CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O 840168992 SATKMTZHHYHWQQ-FOIQADDNSA-N 385.420 0.950 30 10 GCEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 841550374 WMAODBSMIFOCKY-CQSZACIVSA-N 384.479 0.494 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2[C@H]3CCC[C@H]32)c1 848954299 DAJMRONADARMRG-BJWYYQGGSA-N 393.490 0.911 30 10 GCEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@@H](C)CC(F)(F)F)CC1 849378529 XLSSBPGGUJKPBA-ZDUSSCGKSA-N 383.436 0.662 30 10 GCEE C#CCNC(=O)[C@H](C)N1CCC(n2nncc2I)CC1 852533331 RJCQTOIKZHEMPM-JTQLQIEISA-N 387.225 0.658 30 10 GCEE C#CC[C@@H](COC)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 859030952 PBSVTPXJFVFVJA-INIZCTEOSA-N 388.472 0.183 30 10 GCEE CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 867697102 BFJHHYJADLDTFM-MRXNPFEDSA-N 385.511 0.644 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]4NCC[C@@H]43)CC2)c(F)c1 868422827 WNKRNBNMXVMIDC-WMZOPIPTSA-N 385.443 0.699 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 875075054 UMMWXRBPHFKVNE-HNNXBMFYSA-N 381.473 0.904 30 10 GCEE C#C[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)[C@H]1CCCO1 875326454 ZSKPGVCUYBHBNQ-SLFFLAALSA-N 399.491 0.609 30 10 GCEE C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 884233085 IPOKTTJAKNMIEA-LSDHHAIUSA-N 380.514 0.599 30 10 GCEE C#CCN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 886574789 UCGWRZHXSLIYPV-UHFFFAOYSA-N 381.523 0.982 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)C1 890369538 XUVRPYJEEVNKNO-CWVYHPPDSA-N 377.441 0.219 30 10 GCEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 908637036 QAEWFHYXDKNDSM-GASCZTMLSA-N 376.486 0.807 30 10 GCEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCC#CCO)C2)cn1 923761205 PYABQCDNVFBZAY-CABCVRRESA-N 376.457 0.873 30 10 GCEE C#CCN1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 928656207 OQGLGMDSDBCLSY-CQSZACIVSA-N 388.493 0.718 30 10 GCEE COC1=C([N@+]2([O-])CCN[C@H](C)C2)C(F)=C=C2C(=O)C(C(=O)O)=C[N+](C3CC3)=C21 1083080663 FXIMQBAIBDQZPC-WYVULQQZSA-O 390.391 0.710 30 10 GCEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)N1CCC(N2CC[C@H](O)C2)CC1 1118694313 FBJIZNBYFNYOTE-PKOBYXMFSA-N 382.464 0.719 30 10 GCEE C=CCn1c(N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)nnc1C1(O)CCOCC1 1121686059 LWMJBFQRMHIKEY-CALCHBBNSA-N 396.513 0.723 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H]1CCCO1 1122878416 ULBDKPQNCSEPGH-ZACQAIPSSA-N 399.499 0.441 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@]3(F)CCS(=O)(=O)C3)C2=O)cc1 1128015916 LZHPQTYIFXWLGC-YOEHRIQHSA-N 379.413 0.697 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)CC)s1 1136598244 XXMPJOXUQRPIMX-UHFFFAOYSA-N 380.513 0.306 30 10 GCEE N#Cc1cn(CCO)c(=O)n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 1166524291 LPFNAANZXSTEGT-UHFFFAOYSA-N 396.447 0.355 30 10 GCEE CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1261861415 XJYFUTMCFUFVHO-MRXNPFEDSA-N 389.500 0.292 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)COC 1291819059 HBTBLWPUCHRURO-KBXIAJHMSA-N 380.489 0.781 30 10 GCEE CCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)CC1=O 1292103541 DNEOMQLFKPLUMG-TUVASFSCSA-N 378.498 0.750 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1300538118 NRZKUPOFNVXFLT-BSEYFRJRSA-N 382.511 0.022 30 10 GCEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1301965075 HFRHPCYMWFWCAZ-YPMHNXCESA-N 385.432 0.263 30 10 GCEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)no1 1304220721 CIEYBFKRVLGTTP-TZMCWYRMSA-N 392.441 0.254 30 10 GCEE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1312823571 XGZIHCFBWCXXPM-UJHHCITNSA-N 394.497 0.213 30 10 GCEE CCNC(=O)CN1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1313991905 COWGGUGCGDBEIJ-UHFFFAOYSA-N 383.456 0.927 30 10 GCEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CCO1 1316537280 BELRGIJKGGEQDV-JTQLQIEISA-N 396.333 0.142 30 10 GCEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(-n2cccn2)c1 1318994809 FYKXEDVKBUHLBA-WUKNDPDISA-N 394.391 0.453 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 1322018356 HZQKDIAUNPMPMN-QAPCUYQASA-N 383.514 0.114 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H](c1nc(C)cs1)C1CC1)[C@@H]1CCS(=O)(=O)C1 1323239496 NNVVVLAYLRQCME-KGLIPLIRSA-N 395.506 0.668 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C 1325760338 XOXSFLNYIOZUJV-CVEARBPZSA-N 389.452 0.283 30 10 GCEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)NC[C@@H]2COCCO2)CC1 1327731875 CJYWVIBPZIYQJG-UYSNPLJNSA-N 388.424 0.291 30 10 GCEE 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GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccnc(-n3ccnc3)c2)c1 810183315 VKJXZUZIZTZHDM-UHFFFAOYSA-N 396.432 0.734 30 10 GCEE CC#CCS(=O)(=O)NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 810775735 RSUAIWHPWSUFPR-AGUYFDCRSA-N 398.481 0.918 30 10 GCEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813980491 GILLCGDDTQWFST-MFKMUULPSA-N 382.467 0.706 30 10 GCEE C#CCNC(=O)CCN[C@@](C)(C(=O)OCC)c1ccc(S(C)(=O)=O)cc1 815105662 PHEOGVUUGIDGQL-GOSISDBHSA-N 380.466 0.598 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)CC1 831583884 CBNGJRVJIWMRKG-HNNXBMFYSA-N 399.419 0.698 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OC(=O)NC)c2)CC1 836648145 QWLQEABPCXWKLO-UHFFFAOYSA-N 375.429 0.857 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)n1 839368807 BSDOPFZPZMHSEO-HOTGVXAUSA-N 376.457 0.111 30 10 GCEE C#C[C@H]1COCCN1S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 841550372 WMAODBSMIFOCKY-AWEZNQCLSA-N 384.479 0.494 30 10 GCEE C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc2nc(C)cn2c1 848961583 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CN(C)S(=O)(=O)N1CCCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 908296498 LJVKLGBDLUKPCZ-UHFFFAOYSA-N 386.424 0.991 30 10 GCEE C=C1[C@@H](C(=O)N2CC[C@H](O)C(F)(F)C2)[C@H]1C(=O)N1CC[C@H](O)C(F)(F)C1 912397276 XSYVPDDYCOTPAJ-FIQHERPVSA-N 380.338 0.246 30 10 GCEE N#C[C@@]12CN(C(=O)N[C@H]3CCCN4CCSC[C@H]34)C[C@@H]1CS(=O)(=O)C2 925168516 CSTBYHVPACCAPL-CTASWTNQSA-N 384.527 0.146 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 931093943 MDRYNFKXGRQMOB-LXTVHRRPSA-N 379.457 0.798 30 10 GCEE C=CCn1cc2ccc(NC(=O)NC3CN(S(=O)(=O)N(C)C)C3)cc2n1 933670297 ILBUYVGMBKJIFJ-UHFFFAOYSA-N 378.458 0.834 30 10 GCEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 934473537 XAKLWEGSDXOZRC-OAHLLOKOSA-N 382.486 0.775 30 10 GCEE C=CCOC[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)C(=O)OC 935777981 YVGKGGWGPLGTHO-NSHDSACASA-N 391.346 0.835 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(CC)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 936464087 KHQZBCAGDPQHOA-NCOADZHNSA-N 377.485 0.786 30 10 GCEE 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CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)OC1(C)C 2267377770 HQOFQONBCGROHS-QWRGUYRKSA-N 389.304 0.164 30 10 GCEE C=C(CS(=O)(=O)N[C@H]1C[C@@H](CS(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2267467451 NNSCDBSLXJOQHP-BETUJISGSA-N 393.336 0.917 30 10 GCEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2267587024 RPZYBPHBFKDCJW-IAZYJMLFSA-N 383.300 0.820 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCNC[C@H]3O)s2)OC1(C)C 2267718414 SXBUCGBKHKVDFJ-WDEREUQCSA-N 388.320 0.048 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1C(N)=O 2281974294 WPQARMDKIRMDTE-ZYHUDNBSSA-N 380.275 0.416 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2[C@H](CO)C[C@H]3OCC[C@H]32)OC1(C)C 2282004899 MNXILMAOPDFNEV-CYZMBNFOSA-N 380.275 0.807 30 10 GCEE Cc1nc(C(=O)N2CCO[C@H]([C@@H](C)N)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282016753 BILCFRZGBKNHCF-PWSUYJOCSA-N 381.307 0.939 30 10 GCEE CN1CCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282338872 QIUJHCXRBZEQCZ-LBPRGKRZSA-N 384.311 0.092 30 10 GCEE CN(Cc1cnco1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282340579 HTMPBQSLNOBCKA-UHFFFAOYSA-N 382.251 0.528 30 10 GCEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(F)CNC3)ccc2F)OC1(C)C 2282505673 HHLYKYQBPHVJGG-UHFFFAOYSA-N 388.245 0.715 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C(N)=O 2282510770 DOSGOTFNUJROTK-JTQLQIEISA-N 384.263 0.147 30 10 GCEE COC(=O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2282559335 OPVLVOCMTLMBOI-ZDUSSCGKSA-N 383.637 0.903 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(N)=O)CC3)cc2F)OC1(C)C 2282832019 IBBSUCNPJMHBLQ-UHFFFAOYSA-N 384.238 0.421 30 10 GCEE CC[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1C 2282833970 NLVURBMAQCXGQI-NWDGAFQWSA-N 384.311 0.923 30 10 GCEE CC[C@@H]1CNCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837275 CXYIFWZPODVTRD-GFCCVEGCSA-N 384.311 0.092 30 10 GCEE CN(c1nnnn1C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282843390 MORGMWXYOLZVFN-UHFFFAOYSA-N 379.251 0.334 30 10 GCEE C[C@H](O)[C@@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282846614 MGWRIGCUQSTUAA-WFASDCNBSA-N 385.291 0.147 30 10 GCEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282860640 DRFJTURZCPWBMH-LBPRGKRZSA-N 383.279 0.036 30 10 GCEE CC(C)N(C)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282863902 AMMCCXVSZMBUGE-UHFFFAOYSA-N 386.327 0.338 30 10 GCEE CN(C)CC(C)(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282864235 ZSUIZOABXMNCDQ-UHFFFAOYSA-N 386.327 0.338 30 10 GCEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868447 NIDCRATZAPEGBJ-NEPJUHHUSA-N 384.311 0.829 30 10 GCEE C=C(CS(=O)(=O)N[C@@H](C(=O)O)c1cn(C)nn1)B1OC(C)(C)C(C)(C)O1 2284395573 MXHQBYFZWCGFGE-LLVKDONJSA-N 386.239 0.048 30 10 GCEE CCSC[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2284453210 NDJNHFOHXQQUPD-NSHDSACASA-N 381.263 0.712 30 10 GCEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC2(CNC2)O1 2288576270 SNUYSCXRFOPEEI-LLVKDONJSA-N 379.291 0.645 30 10 GCEE C#CC1(N(C)C)CN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 2290361499 JPNZIYCXVPKFCW-LJQANCHMSA-N 376.457 0.918 30 10 GCEE C#Cc1c(NC(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)cnn1C 2351746769 ZHTACJPJIAHWAQ-UHFFFAOYSA-N 382.442 0.374 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)s1 2359265658 GPLSGCGHACKEBU-DOERSZECSA-N 379.287 0.922 30 10 GCEE CC#CCN(CC(=O)O)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 2362988616 KLWVUVYAWRBCPX-CYBMUJFWSA-N 381.429 0.391 30 10 GCEE CNS(=O)(=O)CCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364756085 QRWKYSAUOGZJAS-UHFFFAOYSA-N 379.291 0.843 30 10 GCEE CCN[C@H](C#Cc1cnn(C)c1)[C@]1(O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2366039848 HWZWVWKRXKSWTG-JTDSTZFVSA-N 378.473 0.794 30 10 GCEE CCN[C@H](C#Cc1cnn(C)c1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2366045226 KBQNYHAMBKTTRN-ZACQAIPSSA-N 378.473 0.747 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 27559008 RFFXTONMFDCDBM-UHFFFAOYSA-N 375.429 0.762 30 10 GCEE CN(C)Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)nc1 114495968 ZZNLRCKCMUQOCX-UHFFFAOYSA-N 386.481 0.921 30 10 GCEE C#CCN1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 119356474 UPBQZFGTLOXUFF-UHFFFAOYSA-N 390.918 0.640 30 10 GCEE Cn1cnc2c1c(=O)n(CC(=O)Nc1nc3c(cc1C#N)CCCC3)c(=O)n2C 122058458 QHGIPNZYODMILM-UHFFFAOYSA-N 393.407 0.218 30 10 GCEE C#CCN1CCN(C(=O)C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 153410881 SEMKIQXNMUXVLI-UHFFFAOYSA-N 392.459 0.921 30 10 GCEE CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 246478047 QMBBKRJEJLTQLL-ZIAGYGMSSA-N 395.471 0.737 30 10 GCEE C/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCS(=O)(=O)C(C)(C)C1 261940060 DIPSQTFAFGNIDJ-UHFFFAOYSA-N 392.481 0.367 30 10 GCEE C/N=C(\NC1CCN(CCC(=O)N(C)C)CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 262463758 XXQBZLFJJLPHST-JQHSSLGASA-N 379.549 0.908 30 10 GCEE COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1Br 271626490 DVPSWIAFMLJCNU-JTQLQIEISA-N 396.197 0.925 30 10 GCEE COCCC1(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1 290053190 JANJWTNQBQPWGE-UHFFFAOYSA-N 385.468 0.925 30 10 GCEE CC(=O)N1CCCC[C@@H]1C(O)=Nc1cnn(CC(=O)N2CCN(C)CC2)c1 329088558 VSFOPCSPWHEVMF-MRXNPFEDSA-N 376.461 0.646 30 10 GCEE CN(CC(=O)N1CC[C@@H](N2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 329731940 ILYXSWWTLRVHTJ-MRXNPFEDSA-N 392.481 0.112 30 10 GCEE CC(C)OCCS(=O)(=O)NCC(=O)Nc1cnn(-c2ncccc2C#N)c1 372016146 QELFWYYHTIMRCC-UHFFFAOYSA-N 392.441 0.422 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CCO1 409557084 PJOMLAKLAZOPHX-GFCCVEGCSA-N 390.918 0.988 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)nc1 419923223 GDVTXYBOLXBSLW-QGZVFWFLSA-N 378.436 0.418 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 430380773 XXBFNVWVSZTQCW-KURKYZTESA-N 379.501 0.797 30 10 GCEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 435024179 REQMMPMGTWIUBZ-ZDUSSCGKSA-N 375.429 0.153 30 10 GCEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC1(C#N)CCC1 477480591 VWHQUZRCHWUDOV-KRWDZBQOSA-N 392.525 0.889 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2ccccn12 479828723 IFCUOIRPBDXZKU-LBPRGKRZSA-N 384.421 0.584 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1=O 480492027 POVCUMVANRRJDL-IRXDYDNUSA-N 398.463 0.544 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 489850019 SYRDDGLQZPHJGB-BXUZGUMPSA-N 375.447 0.694 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC=C)c2)CC1 491204494 ZTDASSVBZDHKND-UHFFFAOYSA-N 386.452 0.636 30 10 GCEE Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 506813078 DNDLWKZBZOLLSU-CYBMUJFWSA-N 396.451 0.954 30 10 GCEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508954651 BACAGMGZGGHCAJ-MRXNPFEDSA-N 398.471 0.792 30 10 GCEE C[C@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 522014243 QVAAZLXLOPEAON-ZDUSSCGKSA-N 382.467 0.897 30 10 GCEE N#Cc1cn(C2CN(C(=O)CCn3cnc4ccccc4c3=O)C2)c(=O)nc1O 530265585 FMAYAFKFPUTBBY-UHFFFAOYSA-N 392.375 0.004 30 10 GCEE C[C@@](NCC#CCN[C@@](C)(C(N)=O)c1ccccc1)(C(N)=O)c1ccccc1 530358243 JJAZUCWZMWWBDM-SZPZYZBQSA-N 378.476 0.970 30 10 GCEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)C1 546672098 PWENLXVGXOHUFV-BZUAXINKSA-N 387.488 0.359 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 553330488 KWYBZJUJDJWWAY-KRWDZBQOSA-N 385.468 0.460 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 561437653 MWHFIHMEFYERGX-QGZVFWFLSA-N 388.516 0.662 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1 563428794 ICMORXQDHBTHLQ-DOMZBBRYSA-N 387.483 0.270 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)n(CCC#N)n1 564767327 QAZNXOARSDPHQT-GOSISDBHSA-N 375.429 0.840 30 10 GCEE CN1CC[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N(C)CC#N)c3)C[C@H]21 567407727 HGGUATMHPFQWBS-XJKSGUPXSA-N 398.510 0.155 30 10 GCEE CCOC1(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)C1 573816127 ZFFXKHUDICJRIL-LBPRGKRZSA-N 387.483 0.676 30 10 GCEE CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC2)c1 576122846 QCZPEPLXGADWHZ-OAHLLOKOSA-N 385.467 0.636 30 10 GCEE CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 579375984 DVDMUSGIAYJWTR-HNNXBMFYSA-N 389.499 0.516 30 10 GCEE C=CCn1c(-c2c(C)nc3ccccn23)nnc1N1CCN(CC(N)=O)C(=O)C1 579712586 VWOLXPKAAVFBDF-UHFFFAOYSA-N 394.439 0.221 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)OC 593573722 SLZNOJUMHHOHFW-JSGCOSHPSA-N 396.421 0.686 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 594850087 TZJADMQLFBAXGL-JQWIXIFHSA-N 386.451 0.589 30 10 GCEE C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 595010231 JZOPHLBJHBFQSR-ZDUSSCGKSA-N 378.454 0.921 30 10 GCEE COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(OCC(F)F)c1 599943907 QPZZIECUZHXZLX-LLVKDONJSA-N 397.334 0.807 30 10 GCEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCCCOc1cccc(C#N)c1 600738360 ZIQPTSLNGJWKCM-MRXNPFEDSA-N 395.481 0.884 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 627734693 ZVIXBWHUAWUFCU-CQSZACIVSA-N 375.429 0.105 30 10 GCEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 649193351 COBXAJYMMAYMTK-HNNXBMFYSA-N 380.466 0.520 30 10 GCEE COc1nccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC3CC3)c2=O)n1 663780218 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GCEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 915684230 BLRHTXAPLXVYDC-UHFFFAOYSA-N 397.479 0.611 30 10 GCEE C#CCN1CCC(NC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CC1 923928777 GBYDOYCSIFQYGB-UHFFFAOYSA-N 378.498 0.534 30 10 GCEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@]3(CCCCN3)C2)CC1 926300404 UPFLNJAJBBYOKR-OAQYLSRUSA-N 381.480 0.951 30 10 GCEE C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1C[C@@H](O)[C@@]2(O)C(=O)CO 1085194949 SEKYBDYVXDAYPY-AFCIYZDJSA-N 376.449 0.528 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 1117995578 YYLDUCPTBXAAHR-HXUWFJFHSA-N 398.507 0.301 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(C)(=O)=O)CC1 1120548612 DSZTYIVZCMONTI-AWEZNQCLSA-N 387.502 0.787 30 10 GCEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134429160 QGLQKSRGQRHBCJ-VDZJLULYSA-N 384.461 0.924 30 10 GCEE CC(C)CNC(=O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1157735209 CEGIQRYRVKFVES-UHFFFAOYSA-N 375.429 0.221 30 10 GCEE CC#CC[C@H](CO)NC(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 1220892071 IAGZOWOANXPTPX-OAHLLOKOSA-N 377.441 0.784 30 10 GCEE CO[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[C@H]1C 1261346941 WSPKKNXGUQLVRR-IJEWVQPXSA-N 386.456 0.269 30 10 GCEE C#CC1CCN(C(=O)C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1 1262525424 LLYIONGMTUMQDL-AREMUKBSSA-N 382.530 0.671 30 10 GCEE C=CCn1c(-c2cn3c(n2)CCCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1262950162 CYQFWINLHJPICW-UHFFFAOYSA-N 391.501 0.746 30 10 GCEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ncc1C#N 1266561523 SCKWNWAMCQVVEF-UHFFFAOYSA-N 387.421 0.930 30 10 GCEE C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1268242821 CUEQTFRQKZSGIW-FXUDXRNXSA-N 380.489 0.592 30 10 GCEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCCC1 1286466463 HAQRRTRQQIZQEX-HNNXBMFYSA-N 375.473 0.914 30 10 GCEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1286699480 DLPQZSUSDGZDHR-INIZCTEOSA-N 397.545 0.915 30 10 GCEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCC(=O)N2)CCOCC1 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GCEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N(C)CCc1cccc(C#N)c1 1329360997 NPKIBGGAVGRTEU-KBPBESRZSA-N 379.482 0.839 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)C1 1329400523 NVDZIKHBANGORR-HOTGVXAUSA-N 384.498 0.301 30 10 GCEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 1329883544 FEUJJIJFSUFXRI-UHFFFAOYSA-N 396.394 0.845 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1 1330766763 ORKNVOPTTNWXGS-CQSZACIVSA-N 377.466 0.936 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn3c(C)cccc3n2)C1=O 1332303800 HDJJWCYSMSTHAO-MRXNPFEDSA-N 383.452 0.547 30 10 GCEE C#CCN(C(=O)NC[C@@H](n1cncn1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1333304982 ZAPKNCDPRDRMJK-WDEREUQCSA-N 379.364 0.213 30 10 GCEE C#CCN(C(=O)C(=O)N(C)Cc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1334924477 GZPDJIRYXXNXDC-MRXNPFEDSA-N 376.478 0.911 30 10 GCEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C2C[C@H]3CC[C@H](C2)C3)CC1 1336105474 NPNRIYRBBNSEEC-KBPBESRZSA-N 379.490 0.014 30 10 GCEE C=CCn1c(-c2cn3c(n2)CCCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1339557112 LTLLNMFVRAPJLX-UHFFFAOYSA-N 398.515 0.874 30 10 GCEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N(C)CCN1CCOCC1 1340367958 ZQPMVUBKGQYHFJ-CQSZACIVSA-N 380.518 0.007 30 10 GCEE C=CCn1c(-c2nn[nH]n2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1340588182 KYCOSAOAIPAZHZ-GASCZTMLSA-N 386.508 0.639 30 10 GCEE C#CCN1CCCC[C@H]1c1nnc(N2CCN(S(C)(=O)=O)[C@H](C)C2)n1CC 1341093964 UIOUSVWMSLVMKB-CVEARBPZSA-N 394.545 0.928 30 10 GCEE C=C(C)Cn1c(N2C[C@H](C)O[C@H](C(=O)OC)C2)nnc1[C@@]1(C)CCC(=O)NC1 1342966580 LUJYYMUALCRVQB-NJSLBKSFSA-N 391.472 0.789 30 10 GCEE C#CCN(CC#CC)c1nnc([C@]2(C)C[C@@H](O)CN2C)n1Cc1cc(C)on1 1346955406 XUHWHCRDQICXNG-XLIONFOSSA-N 382.468 0.997 30 10 GCEE CC(C)[C@H](N)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1347087154 UORONZZLYUCANY-MRXNPFEDSA-N 375.448 0.836 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C3CCOCC3)nn2C)CC1 1347604206 VWEYTNPRDZYLGD-UHFFFAOYSA-N 387.484 0.211 30 10 GCEE C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1348156028 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CC1(C)OB(c2cc(C(=O)NC[C@@]34CC[C@@](N)(CO3)C4)ns2)OC1(C)C 2282610301 UUVOYGKSKYBMDX-IRXDYDNUSA-N 379.291 0.823 30 10 GCEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CO[C@@H]3COC[C@H]32)OC1(C)C 2282614626 KAFHZTRRPKBIBY-NTZNESFSSA-N 380.275 0.834 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)OC1(C)C 2282616251 YVONADSXEPGGNA-GVXVVHGQSA-N 380.275 0.522 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]2COC[C@H]21 2282854782 VXNAVBYIQAZQQD-WCQYABFASA-N 383.279 0.129 30 10 GCEE CO[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282862232 AHFVKNKPLLECPV-VXGBXAGGSA-N 385.295 0.565 30 10 GCEE CC1(C)OB(C=CCNC(=O)CSCC(=O)N2CCOCC2)OC1(C)C 2284016053 VVYOCXYLPOFRRW-UHFFFAOYSA-N 384.307 0.882 30 10 GCEE CC1(C)OB(C=C2CCN(S(=O)(=O)c3cnc(O)nc3O)C2)OC1(C)C 2284055839 ACPRAXFKTLWLDQ-UHFFFAOYSA-N 383.235 0.840 30 10 GCEE C#CC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284395946 RGGRWZGGAJKYJY-ZDUSSCGKSA-N 380.231 0.136 30 10 GCEE CC1(C)OB(c2csc(C(=O)N3CCO[C@@H]4[C@H](C(=O)O)[C@H]43)c2)OC1(C)C 2284493342 ZLPXURBWUPKZCO-JHJVBQTASA-N 379.243 0.971 30 10 GCEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CCS1(=O)=O 2285196429 KPMGVWRYTJNOML-ZDUSSCGKSA-N 380.275 0.606 30 10 GCEE COc1ccc(C#C[C@H](N)[C@@]2(O)COCCN(C(=O)OC(C)(C)C)C2)cn1 2295712747 ZDQRFMKVRNOBTI-KXBFYZLASA-N 377.441 0.767 30 10 GCEE COc1ccc(C#C[C@H](N)[C@]2(O)CCOC[C@@H]2NC(=O)OC(C)(C)C)cn1 2295788406 GBYWWDCDTBWSLH-YZVOILCLSA-N 377.441 0.814 30 10 GCEE CO[C@H](CN)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2317602265 DCAAKTPEVJJGOM-SNVBAGLBSA-N 376.309 0.299 30 10 GCEE C#CCCN1CC[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2335492196 YKMJSBSZYDOWTN-KBPBESRZSA-N 387.502 0.138 30 10 GCEE C#CC[C@H]1COCCN1C(=O)[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2358188907 HMZZMLZITFWZSK-XUWVNRHRSA-N 382.457 0.886 30 10 GCEE CC1(C)OB(c2cnccc2C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2361657997 CVZRLNGYGPXBBG-RISCZKNCSA-N 378.259 0.250 30 10 GCEE CN[C@@H](C#CC1(OC)CCOCC1)[C@](O)(CNC(=O)OC(C)(C)C)COC 2363653337 YXHAQDIVPFOXJM-KXBFYZLASA-N 386.489 0.676 30 10 GCEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCC#CCCO)C(=O)O 2377255713 RYGCBUCDDIQVDD-CSVIQDERSA-N 382.457 0.735 30 10 GCEE C#C[C@H](CO)NC1(C(=O)O)CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 2377825291 TZPNGTNRQYKMEZ-FTXHTYHOSA-N 382.457 0.974 30 10 GCEE O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)C(F)(F)C(F)(F)F 32137761 RUBJGSLXONDMLG-XVMARJQXSA-N 396.215 0.467 30 10 GCEE C=CCN(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)Cc1ccccc1 51400881 LYOOWIDCVQJGGF-UHFFFAOYSA-N 398.507 0.968 30 10 GCEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 275742972 WWEKFFXVFDZCCX-SFHVURJKSA-N 388.468 0.342 30 10 GCEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 285862259 AHJAGJPDPMEUHD-SFHVURJKSA-N 399.495 0.576 30 10 GCEE Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n[nH]1 286982233 CCDFXFHLPFXHQB-CYBMUJFWSA-N 381.440 0.381 30 10 GCEE COC[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccco1 287917204 AAWDKUAIBWNHNH-HNNXBMFYSA-N 383.408 0.699 30 10 GCEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N 296368515 RHBXELJTEVAGFU-ABAIWWIYSA-N 389.474 0.835 30 10 GCEE CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 298619927 SIKSKDOTOIYUBS-OAQYLSRUSA-N 398.463 0.913 30 10 GCEE CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(/C(O)=N/CC2(S(C)(=O)=O)CCC2)C1 329182627 NUOBEQZAVOKDFZ-KBPBESRZSA-N 387.502 0.579 30 10 GCEE O=S(=O)(c1cc(/C(O)=N/[C@H]2CCc3ncnn3C2)cs1)N1CCOCC1 329458875 RJJIBOMZRCWXOC-LBPRGKRZSA-N 397.482 0.680 30 10 GCEE C[C@H](C/N=C(/O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)CN1CCOCC1 329467003 VXQJDSRUAUGOIP-IAGOWNOFSA-N 382.505 0.440 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1 361191533 PDNTZIJKJFPTKY-ZDUSSCGKSA-N 376.442 0.684 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@@H]2C1 374611738 NQSZWSLMKAEKMH-CABCVRRESA-N 394.453 0.962 30 10 GCEE C[C@@H](C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)n1cnc(C#N)n1 409464793 KEJJRKARANFNQO-AWEZNQCLSA-N 399.430 0.705 30 10 GCEE COc1ccc([C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2nccn2C)cc1 409538491 WICPULUCJCJMPV-HZPDHXFCSA-N 391.453 0.577 30 10 GCEE Cc1cc(NC(=O)C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)nn1CCC#N 427666992 XLRLJZFIQUKKHM-KLUUNWHGSA-N 395.463 0.669 30 10 GCEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@H](O)COc1ccc(C#N)cc1 441231178 KSGOLTDHCKTTEO-IREHDKGXSA-N 388.420 0.723 30 10 GCEE CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C)c2)c1=O 459866804 QSYVRFNFSFCWRU-UHFFFAOYSA-N 377.491 0.565 30 10 GCEE CN(C)C(=O)CN1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506337078 HFJDLDVAMAKRNS-IBGZPJMESA-N 380.489 0.917 30 10 GCEE COc1cccc(CO[C@@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 530267327 PQELYDWWBKGLIK-LBPRGKRZSA-N 384.392 0.818 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 541901348 ZSHIXOPFDNGMDT-CYBMUJFWSA-N 385.476 0.840 30 10 GCEE 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30 10 GCEE C=C(CNC(=O)C1CN(CC(F)F)C1)CNC(=O)C1CN(CC(F)F)C1 620749922 RZAGZTJWRCZVFR-UHFFFAOYSA-N 380.386 0.169 30 10 GCEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(OCC)CCOCC1 624885896 QPYWWNCYGYWULM-CQSZACIVSA-N 381.516 0.577 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@H]2COC[C@H]21 652623907 UYNPQJPUVZXLTO-BFHYXJOUSA-N 399.517 0.847 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(c2ccncc2OC)CC1 669039681 DVALDBDDIYXLQV-UHFFFAOYSA-N 381.444 0.990 30 10 GCEE CC(=O)N[C@@H](CS)C(=O)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 717416032 DQVQKZBCBQOOJS-HKUYNNGSSA-N 377.510 0.924 30 10 GCEE COc1cccc([C@H](C#N)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1OC 729428876 HJMPRDDJWDWEJG-CKXPSTMWSA-N 384.392 0.495 30 10 GCEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732663601 AKYPXMQSXZXNLF-INIZCTEOSA-N 376.482 0.862 30 10 GCEE COc1ccc(CNC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741343479 RDEQRECLFCRKJD-HNENSFHCSA-N 387.392 0.771 30 10 GCEE N#CCOc1ccc(Cl)cc1CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 748695296 RCPJFZBREFEPLL-LBPRGKRZSA-N 377.788 0.769 30 10 GCEE C#CCNC(=O)CN1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 751980517 ZFIPYBNOUPUVOQ-MRXNPFEDSA-N 383.414 0.976 30 10 GCEE COC(=O)c1cc(C)ccc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 754012628 FNGDFFKAZFTZFY-FOCLMDBBSA-N 393.421 0.586 30 10 GCEE C#CCNS(=O)(=O)N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 761038086 NMLJLVCZWGCVAT-UHFFFAOYSA-N 394.541 0.157 30 10 GCEE C#CCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)[C@@H]1CCS(=O)(=O)C1 775668478 AWMDIKGLMNJSKT-GFCCVEGCSA-N 379.463 0.635 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)c1 780745140 JLGKEDGNNTZJSZ-UHFFFAOYSA-N 387.465 0.726 30 10 GCEE C#CCN1CCN(C(=O)CN2CCN(c3ncnc4sc(C)cc34)CC2)CC1 781947727 QTPFBDSJDVEBEE-UHFFFAOYSA-N 398.536 0.899 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H](C)N2CCCCC2)n1 793697575 IIRVUZKMVBPANE-KRWDZBQOSA-N 389.500 0.482 30 10 GCEE C#CCC(CC#C)C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 803699460 DACIINQUFLIULU-UHFFFAOYSA-N 396.443 0.981 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1F 807938402 XNXHZGDWIRMXGD-SFHVURJKSA-N 399.488 0.819 30 10 GCEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 820180087 VEANVXSLHUGAOG-AWEZNQCLSA-N 379.394 0.478 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 829934174 HINZAPMHTWCQOC-GFCCVEGCSA-N 385.408 0.888 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCc3ccccc3CC2)CC1 831583882 BZSXLWUAHWCJBH-UHFFFAOYSA-N 375.494 0.793 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1 834852831 BAKZKGYCWCFYJD-HZPDHXFCSA-N 378.469 0.780 30 10 GCEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Br)cc1 846232036 SNAUBXSBBGCRAT-CYBMUJFWSA-N 388.287 0.978 30 10 GCEE COC(=O)Cc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 847313816 CYOQKFLRFKEAAB-ZCXUNETKSA-N 386.408 0.728 30 10 GCEE CCN(CCC#N)S(=O)(=O)N1CCc2nnc(-c3cnn(C)c3)cc2C1 853074762 ARMLPKJVJNAMNH-UHFFFAOYSA-N 375.458 0.716 30 10 GCEE C#CCCCOc1cccnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 853139746 OHSWRXVCYIYKIK-UHFFFAOYSA-N 394.497 0.573 30 10 GCEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3nccnn3)CC2)C1=O 863271926 VLQVHKGBGFSFQM-IBGZPJMESA-N 392.423 0.290 30 10 GCEE C#CCN1CCN(C(=O)CN2C(=O)Nc3c(C)cccc3S2(=O)=O)CC1 865381882 DGLFYKPHOKZRON-UHFFFAOYSA-N 376.438 0.309 30 10 GCEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 866677940 TTXMALGNXXZROS-UHFFFAOYSA-N 378.376 0.589 30 10 GCEE C#CCN1CCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)C1 885508874 NBLDHWGMUVQDKS-MYYSRTQBSA-N 384.527 0.922 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)CC1 896609801 JFDXQOSEFHBWRG-HOCLYGCPSA-N 396.444 0.253 30 10 GCEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c3c(nn2C)CCOC3)c1=O 901848282 BAVQOPXJFRRROW-UHFFFAOYSA-N 396.472 0.077 30 10 GCEE C=C1CCC(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 926543222 UXICMSAYNQKZJR-UHFFFAOYSA-N 378.473 0.445 30 10 GCEE COCCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1118258426 OPNGFDFYTHIUFQ-DLBZAZTESA-N 375.425 0.314 30 10 GCEE C#C[C@H]1CCCCN1c1nnc(C2CCN(CCS(N)(=O)=O)CC2)n1CC 1121641493 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C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1303849931 XQHYFMQCXQTBFD-CABZTGNLSA-N 379.360 0.920 30 10 GCEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1306245203 GMOBZQSFRVVQPE-INIZCTEOSA-N 391.439 0.708 30 10 GCEE CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1307206226 GEIMZLHFLMRLFL-LBPRGKRZSA-N 377.445 0.791 30 10 GCEE CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1312165861 GRDJYDBXROGPEO-ZCDIYMNCSA-N 381.458 0.200 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 1325782332 ILWDRCKHYHGXJU-SFHVURJKSA-N 384.480 0.176 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1ncc2c(n1)CCOC2 1328981369 FETLZYQNZXCLBD-KRWDZBQOSA-N 395.419 0.229 30 10 GCEE COC(=O)[C@]1(N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)CCOC1 1329793275 QYEOQFKLQBDCKA-SFHVURJKSA-N 393.465 0.391 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 1330887434 HYLNIMGTHUDNMV-CHWSQXEVSA-N 393.465 0.790 30 10 GCEE COc1ccc(CNC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1C#N 1332166208 PSTIFKXIPIXIMW-INIZCTEOSA-N 399.451 0.589 30 10 GCEE N#Cc1cc(NC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1F 1332173213 GLSIXHLUKBLYIL-MRXNPFEDSA-N 381.385 0.052 30 10 GCEE C=CCn1c([C@@H](C)c2cnn(C)c2)nnc1N1CCN(c2nccnn2)CC1 1338665746 ZWXIMKUHTHNYJE-AWEZNQCLSA-N 380.460 0.861 30 10 GCEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1338893915 CIAMIVDEKGKNSO-CVEARBPZSA-N 391.520 0.785 30 10 GCEE C=CCn1c(N2CC[C@H](N(C)C(=O)N(C)C)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1340570933 LBQFYVROAVBGKR-QMTMVMCOSA-N 391.520 0.568 30 10 GCEE C#CC1CCC(c2nnc(N3CCO[C@H](CC(N)=O)C3)n2CCOC)CC1 1341310759 QPNITYLBJLOQHS-UYSNPLJNSA-N 375.473 0.912 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCOc2cc(C(=O)OC)ccc2C1 1341710340 ZPKJMTRJSQTDGV-INIZCTEOSA-N 388.420 0.739 30 10 GCEE C=C(C)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1341837882 GPNKWEDKAGBVTD-KDOFPFPSSA-N 378.477 0.654 30 10 GCEE C=CCOCc1nnc(N2CCO[C@@H](CC(=O)OC)C2)n1C[C@@H]1CCCO1 1344680570 BAKDXJIYXJXLAO-GJZGRUSLSA-N 380.445 0.928 30 10 GCEE C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)N3)n2C[C@@H]2CCOC2)C1 1345240446 VLLUPOULHFLLQJ-PMPSAXMXSA-N 393.513 0.919 30 10 GCEE C#CCN(c1nnc(COCC=C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1345383054 OGKPPIZMTJLIQL-HOTGVXAUSA-N 394.497 0.644 30 10 GCEE C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(=O)NCC(F)F)cn1 1347216787 JBTLMRMMMODCAQ-RDBSUJKOSA-N 376.363 0.306 30 10 GCEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)ccc1OC 1349214544 HKKJWCFDUMQGNE-TZMCWYRMSA-N 388.424 0.639 30 10 GCEE C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCN(CC(=O)NCCOC)CC1 1351819404 PQQJHXSPCRWKDN-OAHLLOKOSA-N 394.520 0.223 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCN(C)CC1 1353085918 KLJXLEHHUWBMRK-UHFFFAOYSA-N 394.479 0.158 30 10 GCEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1457040632 IJAFEMMVXQNWRI-CHWSQXEVSA-N 378.433 0.805 30 10 GCEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](O)Cn3ccnn3)ccc2c1=O 1457846654 BCFNYBOUKJNPAV-GFCCVEGCSA-N 386.437 0.254 30 10 GCEE Cn1cc(S(=O)(=O)NCCn2c(C(F)(F)F)ccc(C#N)c2=O)cn1 1459235003 CCSIWCYSHHQYHO-UHFFFAOYSA-N 375.332 0.451 30 10 GCEE COC[C@]1(CO)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1468144406 GZHWAPILGAPBEY-FZKQIMNGSA-N 395.481 0.361 30 10 GCEE CS(=O)(=O)c1ccccc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1469042151 GIUSBSNYFQJCCC-MSUUIHNZSA-N 377.422 0.623 30 10 GCEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN2CCOC[C@]2(CO)C1 1472062089 UMZYWCVTDCIORH-HXUWFJFHSA-N 398.467 0.056 30 10 GCEE N#C[C@@]12CN(C(=O)N[C@@H]3CCc4cc(O)ccc4C3)C[C@H]1CS(=O)(=O)C2 1478548072 DSCBGUSLVDHZKL-DAYGRLMNSA-N 375.450 0.829 30 10 GCEE CSc1ccc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)cc1C#N 1479317141 JAKXGEJPEKWHSQ-AWEZNQCLSA-N 383.495 0.971 30 10 GCEE C=C[C@@H](CC)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1490647461 CSWGPPYYBJFOBR-FZKCQIBNSA-N 378.473 0.089 30 10 GCEE C=C(C)C[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1490713928 POAYXIVGMAIZLA-KBXIAJHMSA-N 376.457 0.779 30 10 GCEE 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399.543 0.860 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1748671722 NCUOCLPMHYGWKL-JSGCOSHPSA-N 379.486 0.164 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCN1CCOC[C@H]1C 1748883275 ZJUAVCTWUOYTER-QGZVFWFLSA-N 381.484 0.862 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)CC1 1749655241 FUAMIVNXHVHECD-UHFFFAOYSA-N 389.481 0.825 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1749669264 FCWPKERLZOQHFU-CVEARBPZSA-N 390.488 0.579 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760520646 VOTQODADJKBJEX-KGLIPLIRSA-N 384.396 0.756 30 10 GCEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)C#N 1767850529 GDFVTSSOPXDBEG-GFCCVEGCSA-N 377.474 0.794 30 10 GCEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771538139 ZYRJYIPVBFMBDY-GVDBMIGSSA-N 384.440 0.533 30 10 GCEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCC#CCN1CCOCC1 1850078651 XESPSUNBSCMFIZ-OAHLLOKOSA-N 390.509 0.855 30 10 GCEE C=CCC1C(=O)NC(=NC(=O)[C@H](OC(C)=O)c2c(F)cccc2F)NC1=O 1851714197 SUKQORDWXUGDHK-CYBMUJFWSA-N 379.319 0.890 30 10 GCEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)CC3CCCC3)CC2=O)ccn1 1854596686 ZTQUYNRVHYBMKH-UHFFFAOYSA-N 376.438 0.758 30 10 GCEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nn(C)c3c2CCC3)C1=O 1856721263 DBXBKKGIFUYBEK-IAGOWNOFSA-N 399.495 0.759 30 10 GCEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2snnc2C)C1)[C@@H]1CCN(C)C1=O 1857269700 QBBSZUDQAGPJAQ-CHWSQXEVSA-N 377.470 0.554 30 10 GCEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccccc2)CC1 1861170145 WIVSPDPPYDLNKM-SFHVURJKSA-N 386.496 0.951 30 10 GCEE Cn1ncc(S(=O)(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2088141218 FOCGGIBGWVSBEC-UHFFFAOYSA-N 384.292 0.654 30 10 GCEE N#C[C@H]1CCN(S(=O)(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)C1 2108329010 XZIBRPKLUIZOEK-QZTJIDSGSA-N 378.498 0.693 30 10 GCEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CC[C@@H](C#N)C2)CCO1 2118171625 RSZAHCGRPUUYQB-IHRRRGAJSA-N 388.490 0.739 30 10 GCEE 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30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 846238910 FWNGTZJPQUUCIE-SFHVURJKSA-N 398.463 0.521 30 10 GCEE COCCNC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 846320831 VULKBZWGHLLRIW-UHFFFAOYSA-N 378.404 0.894 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)Cc1cccc2c1OCCO2 851052777 ITFUHQNBNJGNPE-AWEZNQCLSA-N 382.438 0.875 30 10 GCEE N#Cc1ccccc1CN1C(=O)CN(CN2CC[C@@H](Cn3ccnn3)C2)C1=O 853522664 PYEMWMOWMMPSBP-OAHLLOKOSA-N 379.424 0.894 30 10 GCEE C#C[C@@H](NC(=O)C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 875326274 YFMNZOVAEPXHDT-CVEARBPZSA-N 393.484 0.206 30 10 GCEE CN1/C(=C/C(=O)Cn2cc(CN(CCO)CCO)nn2)C(C)(C)c2ccccc21 883999633 MYRPVOLXIGADBF-UDWIEESQSA-N 399.495 0.945 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 889780136 IAYVQGDVLLOLRA-QZTJIDSGSA-N 391.493 0.269 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H]2CCCC2(F)F)CC1 896441537 FVOBUFYTYZFFFJ-CYBMUJFWSA-N 378.445 0.607 30 10 GCEE C=C(C)Cn1c(-c2cccnn2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 909314689 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C#C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CCOCC1 851828794 FEVDUWLLAWSCHP-SFHVURJKSA-N 392.477 0.866 30 10 GCEE CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 861348455 FCUUHZPVYLZCFQ-DHSIGJKJSA-N 395.481 0.877 30 10 GCEE C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 863794238 WRPOZKMNYJOVNM-ZDUSSCGKSA-N 382.438 0.281 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 875607372 ILXOCUXUTLOQGW-CABCVRRESA-N 381.473 0.904 30 10 GCEE C#CCC1(O)CCN(c2cc(N3CCC(O)(CC#C)CC3)n3ncnc3n2)CC1 882968945 DBYPWERXKGEAKA-UHFFFAOYSA-N 394.479 0.834 30 10 GCEE C#CCN(C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)C1CCN(C)CC1 886584966 AMSHSCPDCXJMQP-UHFFFAOYSA-N 389.452 0.738 30 10 GCEE CC[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CCCOC1 898456067 NEKFQPWMVDOXRR-DOTOQJQBSA-N 385.468 0.923 30 10 GCEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC(C)C)C1 916945896 XAJICLAPFCLRMK-ZIAGYGMSSA-N 396.469 0.926 30 10 GCEE 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BAHHUUOGYCKIGA-OALUTQOASA-N 382.457 0.927 30 10 GCEE C#CCNC(=O)CN[C@@]1(C(=O)O)C[C@H]2CC[C@@H]1C[C@H]2NC(=O)OC(C)(C)C 2379438614 DVMDIBVNDNHDPB-FORMXFIPSA-N 379.457 0.862 30 10 GCEE C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2746311 HHIWIOWFWWDZID-UHFFFAOYSA-N 395.466 0.390 30 10 GCEE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)cc1 4611595 RSEWNGNFIIXLHN-SOUVJXGZSA-N 396.421 0.207 30 10 GCEE biogenic,in-vitro C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C(=O)O)C2=O)cc1 96567137 MUFLHMRZNCXSLF-HXPMCKFVSA-N 389.408 0.998 30 10 GCEE CN(CCS(C)(=O)=O)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 171156697 KATDXGIFYPZJKT-UHFFFAOYSA-N 382.461 0.322 30 10 GCEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 254616772 COWKOFRREZJODL-UHFFFAOYSA-N 389.502 0.662 30 10 GCEE C[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2O1 265492948 AGPXFPQJKJQNKH-ICDILTBESA-N 384.392 0.443 30 10 GCEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 276055226 BQHHYNCNHBOMHE-UHFFFAOYSA-N 381.841 0.624 30 10 GCEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(N(C)C)cc2)CC1 277072152 PAQYBTOUAGYGOX-UHFFFAOYSA-N 378.498 0.198 30 10 GCEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 279528243 PYYDSRPHMIOGMZ-LJQANCHMSA-N 386.408 0.926 30 10 GCEE CO[C@H]1C[C@H](/C(O)=N/[C@@H]2CCc3nc(C(C)C)nn3C2)N(S(C)(=O)=O)C1 329860729 PTROZQDGVLOOJB-FRRDWIJNSA-N 385.490 0.722 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCc3c(C)noc3C)C2)C1=O 364009407 DBWODGUKXVDUOC-ZDUSSCGKSA-N 390.396 0.386 30 10 GCEE CN(C)c1ncc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 366602834 VDDANGLDNNJUEW-QGZVFWFLSA-N 393.451 0.718 30 10 GCEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(c3nc(O)n[nH]3)CC2)CC1 373829770 DYKWKZNQIFARLQ-OAHLLOKOSA-N 375.477 0.382 30 10 GCEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 414040096 YNPIQPLCVVEFGK-UKRRQHHQSA-N 392.481 0.741 30 10 GCEE CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C[C@H]1O 425790297 ZJORBZTYGUYRBT-CHWSQXEVSA-N 382.214 0.786 30 10 GCEE Cc1ncc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C#N 427236507 ISVYINJUXLRSST-UHFFFAOYSA-N 390.425 0.118 30 10 GCEE CCOC(=O)CC1(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CC1 451012677 GZJFKLYVAIGBAG-UHFFFAOYSA-N 378.454 0.891 30 10 GCEE N#Cc1ccc(OCCNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 463995146 SXGKKNZFGDECHE-LMSBXDPUSA-N 383.404 0.606 30 10 GCEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C1CCS(=O)(=O)CC1 508005941 CNGNIGGVWOKNEP-UHFFFAOYSA-N 399.538 0.829 30 10 GCEE CN1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccccc1 527831536 IDGGUVLKRKLJKC-IAGOWNOFSA-N 394.435 0.832 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)nn1CCC#N 557343817 MDTSEHYDZMLSOD-CQSZACIVSA-N 395.485 0.860 30 10 GCEE Cn1ccnc1CN1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 574039230 JPZBDZPPIGVUJT-UHFFFAOYSA-N 380.452 0.447 30 10 GCEE COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(CC#N)cc1 578625446 VGJMAFMUGUVYQD-IRXDYDNUSA-N 375.425 0.306 30 10 GCEE CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 579544969 OCTNJLFSWKSQFD-IVCQMTBJSA-N 393.494 0.972 30 10 GCEE COc1ccccc1N1CCC(NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 586825593 IPPZSYFNUOHLQB-UHFFFAOYSA-N 399.495 0.884 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)CC2)c1C#N 590339484 JSUYFKKTZNGBBL-OAHLLOKOSA-N 394.483 0.980 30 10 GCEE CN1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)S1(=O)=O 592591441 PXFJGIBERLUDGQ-ZIAGYGMSSA-N 394.478 0.432 30 10 GCEE Cn1c(N2CCn3c(Cc4cccc(F)c4)nnc3C2)c(C#N)c(=O)n(C)c1=O 593481880 SZMDFGDRNKELBW-UHFFFAOYSA-N 395.398 0.297 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 593573536 YOTQBWCAYBILMR-JKSUJKDBSA-N 393.465 0.565 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 593630318 TUHORTTXPOISGS-DVOMOZLQSA-N 390.465 0.473 30 10 GCEE CC[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 594631529 OIRDRRVLIDYWEP-DANNLKNASA-N 399.494 0.532 30 10 GCEE CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H]1CCN(C)C1 595105025 VIGWDEZOVBMWTQ-UKRRQHHQSA-N 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384.396 0.300 30 10 GCEE C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1)C1CCOCC1 851904994 GFJBMPFIGQBARA-QGZVFWFLSA-N 379.482 0.963 30 10 GCEE N#Cc1ccc([C@H](O)C(=O)NC[C@]2(CO)COCCN2Cc2ccccc2)cc1 856078600 UTWDKGLEBXDYNS-UNMCSNQZSA-N 395.459 0.971 30 10 GCEE C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccnn1C 867803061 IQGWYFADVDJHGD-CYBMUJFWSA-N 384.415 0.957 30 10 GCEE N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)CC1 868396444 TYTGLMYARMKFTH-XCRHUMRWSA-N 385.443 0.684 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 875604215 KJLCBNHSHHLCQG-SOUVJXGZSA-N 381.473 0.903 30 10 GCEE C=C1[C@@H](C(=O)N2CC[C@@H]3[C@H](CCN3C)C2)[C@H]1C(=O)N1CC[C@@H]2[C@H](CCN2C)C1 913759578 QGYRESKKTZHVFR-PJBUMPDVSA-N 386.540 0.894 30 10 GCEE C=CCN(CC=C)[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1CCO)C(C)C 914126025 RYNXFGKJSIXBDH-IAGOWNOFSA-N 387.546 0.876 30 10 GCEE C#CCCN1CCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 931344332 JTAOSBWVZOANAZ-OAHLLOKOSA-N 378.473 0.232 30 10 GCEE 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0.028 30 10 GCEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(S(N)(=O)=O)CC1 1168565895 IPAYKCUQWIVLEH-UHFFFAOYSA-N 396.469 0.510 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnnn2C[C@]2(OC)CCSC2)n1 1262455917 KQEIPPLKIHOOCQ-QGZVFWFLSA-N 391.501 0.678 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CNC(C)=O)C2 1282831732 OWYFTQDGJMUYHS-DUPRYPCISA-N 377.485 0.849 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1286298096 ZYRRFSLQMRZEJL-MJBXVCDLSA-N 385.490 0.104 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1286726074 ASDXCYPKIXRTIS-RHSMWYFYSA-N 399.517 0.802 30 10 GCEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286779089 NRJMJDHSKXDOBR-ZNMIVQPWSA-N 399.517 0.706 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286818515 JSNFJEAKDLDTQH-GASCZTMLSA-N 395.485 0.724 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ncc(C)o1 1292170681 GGJLQULFNRCWLV-OAGGEKHMSA-N 375.425 0.788 30 10 GCEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300336596 KLHJCMYTQYMUSJ-HNNXBMFYSA-N 386.456 0.958 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1301297167 MSLNGEFUQDRKHE-GFCCVEGCSA-N 375.882 0.986 30 10 GCEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1301413546 WWSHVSPGFFETRM-UHFFFAOYSA-N 378.477 0.631 30 10 GCEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1301467093 GRZMXVASLIBYSO-UHFFFAOYSA-N 398.471 0.712 30 10 GCEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1309336841 CEZVPCYPDQJMSL-CYBMUJFWSA-N 396.531 0.906 30 10 GCEE C#CCN(C(=O)C(=O)Nc1nc2c(s1)CSCC2)[C@H]1CCS(=O)(=O)C1 1323243044 JEVRXJJIKJPRKV-JTQLQIEISA-N 399.519 0.520 30 10 GCEE CCN(C)C(=O)CNC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1324168601 HHPWJMNQPYYHKG-UHFFFAOYSA-N 387.440 0.354 30 10 GCEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1326188920 UANQMOMPXBGLJZ-MRXNPFEDSA-N 378.458 0.259 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@]34CCOC4)C2=O)cc1 1326322972 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378.410 0.861 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C(=O)OC)cc1 850662445 TVDHLDZXXIFPGH-UHFFFAOYSA-N 376.413 0.698 30 10 GCEE N#Cc1ccc(F)c(CS(=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)c1 851191827 PGXBGTBNCHYZLH-JOAVENAKSA-N 386.404 0.970 30 10 GCEE COC[C@@]1(C)CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 859421713 CKTOTMCPSAPESU-VQIMIIECSA-N 375.425 0.314 30 10 GCEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 859426865 NCTVOTQUMNFZHT-CQSZACIVSA-N 386.495 0.788 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncc(Cl)cc2CC)CC1 861766406 FMMGVUIWBRIZOD-UHFFFAOYSA-N 393.875 0.682 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 862195526 XAVHWJBBVYSYEW-OAHLLOKOSA-N 393.465 0.468 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 862195744 UZPWJCULSBOKCU-WMLDXEAASA-N 387.436 0.698 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 862199080 FYSIBGIMFOVOIB-ZDUSSCGKSA-N 397.428 0.359 30 10 GCEE C#CCOc1ccccc1CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 866790241 QVZOXEJUVLALRA-CQSZACIVSA-N 386.495 0.400 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 875306534 CKFLKUUGIXIWAD-KBRIMQKVSA-N 379.407 0.981 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@]12COCCN1C(=O)COC2 878801701 ZBCKQGABEHRRLG-SFHVURJKSA-N 377.372 0.587 30 10 GCEE CC(=O)N1CCN(Cc2cn(CC(=O)N(C)C3(C#N)CCCCC3)nn2)CC1 881030777 XHUARDQMVJSVPP-UHFFFAOYSA-N 387.488 0.627 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCNC(=O)[C@H]2CC)s1 886500767 JNGBLUQQRTYPDQ-CYBMUJFWSA-N 385.511 0.882 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)CC1 895175287 KGZSBJABRJHLHP-HOTGVXAUSA-N 386.518 0.232 30 10 GCEE CC[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCCOC1 898464129 NSICIXHCDKBRNB-SJORKVTESA-N 385.468 0.923 30 10 GCEE O=C1NC[C@H](Cn2cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)nn2)O1 899093737 XIQQWYNFAPWSNN-RXMQYKEDSA-N 393.219 0.949 30 10 GCEE CCCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C)N(CC#N)[C@H](C)C2)CC1 914016348 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GCEE CSc1nc(O)c(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1C#N 478892190 CXKROSDKSVIQPY-AWEZNQCLSA-N 392.481 0.944 30 10 GCEE C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)CN1CCO 514925726 LZBDEXGYWRLONG-GPMSIDNRSA-N 399.495 0.756 30 10 GCEE COCCOc1ncccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 517266621 ZRGNVWOTBRNXIF-UHFFFAOYSA-N 390.421 0.895 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 531904073 MGVHJFMRYASEHA-ROUUACIJSA-N 380.533 0.618 30 10 GCEE C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 543801457 JKLADUWTZYBNTF-GFCCVEGCSA-N 381.414 0.770 30 10 GCEE C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(C#N)n2)CC1 546919380 VAPGASIQINAGGY-HOCLYGCPSA-N 391.497 0.109 30 10 GCEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@H](C)n2cnc(C#N)n2)c1 554183363 BSSSTNLTQYAQIL-LBPRGKRZSA-N 376.442 0.714 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1 556784828 KYKYUHSYCSLWKD-UHFFFAOYSA-N 397.435 0.329 30 10 GCEE COC(C)(C)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1 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Cc1nn(C)c(N2CCN(C(=O)Nc3ccn(C4CCOCC4)n3)CC2)c1C#N 597065616 ZTQGMNITCYUPDB-UHFFFAOYSA-N 398.471 1.502 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 599659424 CPXCXWXFKUMFFL-CZUORRHYSA-N 376.420 0.913 30 10 GCEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600709449 KFGLAJVRARDJBA-INIZCTEOSA-N 380.470 0.568 30 10 GCEE CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610942490 ACCBPQMTKMKVQU-SWLSCSKDSA-N 397.453 0.262 30 10 GCEE C=CCNC(=O)CN1CCN(c2nnc3ccc(Br)cn23)CC1 663360132 MJXVTXYASNVICN-UHFFFAOYSA-N 379.262 0.916 30 10 GCEE C=CCOCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 679494800 YQNWZYMBGLBMJY-UHFFFAOYSA-N 384.454 0.835 30 10 GCEE C#C[C@@]1(O)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 708136679 JLZYXJZRMXRCIM-LJQANCHMSA-N 390.461 0.709 30 10 GCEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 729335002 GFGYVDUDWKRTNK-SJLPKXTDSA-N 387.461 0.859 30 10 GCEE CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 739083517 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C#CCN(CC#C)C(=O)C(=O)Nc1cccc(C(=O)NC)c1Br 807013824 HPBBMBODLGPJDL-UHFFFAOYSA-N 376.210 0.842 30 10 GCEE C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)c2ccccc2C1=O 813449871 YJYZHMZWSPUATM-PTGFTAGUSA-N 382.376 0.314 30 10 GCEE CN(CC(=O)N[C@H]1CCN(O)C1=O)C(=O)c1ccc(Br)s1 816691560 UJBAPIGMVWXWCK-ZETCQYMHSA-N 376.232 0.689 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 824988201 OLSFCFYNQYPHOR-KKUMJFAQSA-N 397.472 0.446 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 829583280 YMVJNBKCHHGFGV-CABCVRRESA-N 378.473 0.278 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 845177596 HTFXCTWXQCRWIE-ZACQAIPSSA-N 394.497 0.951 30 10 GCEE COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 845858980 RJKPIIYSEYBYBO-UHFFFAOYSA-N 384.410 0.545 30 10 GCEE C=CCCn1cc(COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)nn1 848727179 RYQTVDYHLXBQTC-UHFFFAOYSA-N 383.408 0.842 30 10 GCEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)C#CC3CCNCC3)CC2)c1 852809184 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C#CC[C@@H]1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 886359387 BIWWPYOZDRCMSU-VLIAUNLRSA-N 384.436 0.839 30 10 GCEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 928659675 XEHBHQSRKWTKLM-FQEVSTJZSA-N 386.427 0.807 30 10 GCEE C#CCN(C(=O)c1cc(Br)cn2ncnc12)[C@@H]1CCS(=O)(=O)C1 930472780 ZXEJFTWHUWQFNX-LLVKDONJSA-N 397.254 0.754 30 10 GCEE COC(OC)C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 930956220 RFSNQLWBIHQICJ-UHFFFAOYSA-N 381.454 0.095 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 941113993 UUWYYJULUSOMTG-HZMVEIRTSA-N 375.425 0.257 30 10 GCEE CCCCNC(=O)NS(=O)(=O)c1ccc(NN=C(C#N)C(=O)OC)cc1 1084180459 ASLMUEBMKWZROO-UHFFFAOYSA-N 381.414 0.939 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1116720639 ALPPKGRUYOFKRT-JTQLQIEISA-N 389.355 0.688 30 10 GCEE CC1(C#N)CCN(C(=O)C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 1117224496 HMSCVCMMMVLLPW-HXUWFJFHSA-N 397.435 0.510 30 10 GCEE 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10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC1CCC2(CC1)OCCO2 846720455 GUBBSRPXEJEYMK-KRWDZBQOSA-N 387.436 0.852 30 10 GCEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3c2CCC3)c(=O)n1C1CC1 853455453 ARLAFOLGKBANFM-UHFFFAOYSA-N 397.504 0.807 30 10 GCEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 854766980 YXJJDGVMVWUMDG-GFCCVEGCSA-N 388.848 0.990 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 855697894 GJNYBTDNCLMQGT-OCCSQVGLSA-N 384.479 0.294 30 10 GCEE N#CC1(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 855955911 MRAWJBFVZXCUDD-CYBMUJFWSA-N 380.470 0.742 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCc1c(F)cccc1F 858974509 BWZQBYFURQXOOQ-FOCLMDBBSA-N 385.392 0.953 30 10 GCEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC#CCN1C(=O)c3ccccc3C1=O)C2 859288947 BOAJGGDQLGBENT-YCRPNKLZSA-N 382.416 0.798 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1noc2ccccc12 866554331 LXIYDLGDIKVTTK-ZDUSSCGKSA-N 382.463 0.822 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 875295820 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C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1262947147 GNTYSLJKENOPQO-SPCJURDBSA-N 377.489 0.974 30 10 GCEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2NCC(=O)NCC#N)cn1 1263940913 IGGYAXDUDHYTRY-XWCCPHMRSA-N 396.495 0.546 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCCC(N)=O)C[C@@H]2C1 1282304683 LXEUMFQHMPOFMG-TWMKSMIVSA-N 377.485 0.930 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC1CCCC1 1282647229 YJQNQYQLPAOPMH-IKGGRYGDSA-N 375.469 0.581 30 10 GCEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)F 1286301150 AFGGYGJVBJTKII-GFCCVEGCSA-N 379.415 0.979 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1286376817 OBVBJTOKDNMQOU-HNNXBMFYSA-N 399.517 0.496 30 10 GCEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1300574654 FJXOVHBWJHMWJC-UHFFFAOYSA-N 391.357 0.877 30 10 GCEE C=CCO[C@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1 1322300990 CIPNRPBTKAGUAJ-HNNXBMFYSA-N 395.481 0.357 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 1323505895 XVZPGKZNZVUAQB-KFWWJZLASA-N 386.539 0.816 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCN2CCO)ccc1F 1324587887 XFNOKFHLGIBNAN-OAHLLOKOSA-N 399.488 0.867 30 10 GCEE N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 1326248301 JDSKDQRHZPAXIR-HXUWFJFHSA-N 382.420 0.805 30 10 GCEE C#CCN(C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)[C@@H]1CCS(=O)(=O)C1 1326547397 NLAALHHNWLXMFY-KCPJHIHWSA-N 378.853 0.456 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 1326594859 DBQCAVMFLXFYIN-NDWJELMCSA-N 394.431 0.331 30 10 GCEE CCS(=O)(=O)N1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 1326850499 ZAXTVNVNQCWOER-UHFFFAOYSA-N 392.481 0.299 30 10 GCEE N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCO[C@]4(CCSC4)C3)C2)cc1 1327039140 MEZCEEXPYYRGDA-LJQANCHMSA-N 387.461 0.882 30 10 GCEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N(C)CCc1cccc(C#N)c1 1329361002 NPKIBGGAVGRTEU-ZIAGYGMSSA-N 379.482 0.839 30 10 GCEE 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C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(N)=O)C(=O)C1 414522694 DGRRPHGANCDAND-UHFFFAOYSA-N 384.440 0.220 30 10 GCEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](CO)CN3CCOCC3)C2)c(F)c1 425298697 XJYRZVWTBGBBFQ-CVEARBPZSA-N 376.432 0.333 30 10 GCEE CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1=O 440786715 OCZINUJNKNJQPT-UHFFFAOYSA-N 394.384 0.083 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 460549772 RFKFBQCUHHNNLJ-GJZGRUSLSA-N 399.517 0.802 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)CC2CCCCC2)CC1 492455098 DIBSHTOMVPZTOB-MRXNPFEDSA-N 378.517 0.908 30 10 GCEE C[C@H](C#N)CN(C)S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)O 520589764 GPSJXOKTIIWIAL-CYBMUJFWSA-N 395.485 0.885 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(F)cc3C2)C1=O 539661683 KIUKZJLSGFTBGC-UHFFFAOYSA-N 375.356 0.696 30 10 GCEE CO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1(C)C 563431440 HLCPPLDWEPZKLE-ZIAGYGMSSA-N 387.483 0.580 30 10 GCEE CCS(=O)(=O)N1CCC(CNCCS(=O)(=O)c2cccc(C#N)c2)CC1 566130964 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381.376 0.676 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 1261358507 WVWDYCDDKCBMGR-KRWDZBQOSA-N 377.485 0.734 30 10 GCEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)COC 1262941248 GPQDGBWKCGFCNB-ZDUSSCGKSA-N 376.461 0.861 30 10 GCEE C=CCn1c(C[C@@H]2CCOC[C@@H]2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1262987290 SGRGCDKHASXBHG-JYJNAYRXSA-N 390.488 0.662 30 10 GCEE C=C(C)Cn1c(-c2ncn(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1263280718 VPEHRYYQSJKOTG-UHFFFAOYSA-N 399.503 0.394 30 10 GCEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1286415396 KBHSXDRTMWKYMO-UHFFFAOYSA-N 392.463 0.529 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1286431646 WVYNALMJIMDMPJ-MRXNPFEDSA-N 393.513 0.874 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)C)CC1 1286476956 LAFXZDMTPJBCQB-UHFFFAOYSA-N 383.500 0.811 30 10 GCEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1288999789 RYXDGMNQKFBHHU-HZPDHXFCSA-N 395.467 0.907 30 10 GCEE 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C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=C)C)CC1 549600826 XWLKOVALOFBALM-UHFFFAOYSA-N 389.504 0.417 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 553672091 KKVVKCWYNDBSES-TWOQFEAHSA-N 379.501 0.938 30 10 GCEE C=CCN(CCC#N)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 559956076 GKGWWILZBSHWAT-JKSUJKDBSA-N 396.447 0.950 30 10 GCEE N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 563538648 ATXFDEOIDISRKE-ZDUSSCGKSA-N 390.414 0.101 30 10 GCEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 565926272 OIUGHCCJESDRBW-DLBZAZTESA-N 388.493 0.808 30 10 GCEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)CC#N)CC1 567624031 BYRONTLHGPRIOR-IEBWSBKVSA-N 383.496 0.823 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)CC2)n1 590979580 VGRNWUBSGIUJTR-HNNXBMFYSA-N 393.451 0.731 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCOC[C@H]2c2ccco2)CC1 590986247 JZLXTOJOQMFEDV-INIZCTEOSA-N 395.419 0.795 30 10 GCEE 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C#CCN(CC#C)C(=O)CNS(=O)(=O)c1ccc(Br)s1 175715900 ICLYPQOWXOMORW-UHFFFAOYSA-N 375.269 0.884 30 10 GCEE CC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208047925 QHXRTXRFHIKJAX-CQSZACIVSA-N 395.290 0.560 30 10 GCEE C=CCN(CC(=O)NCCN1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 246226068 FSMZPRNFFZPJKE-KRWDZBQOSA-N 377.510 0.840 30 10 GCEE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248252323 SVBORQUNZJNUSJ-ULMVMLMRSA-N 399.403 0.902 30 10 GCEE CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 272534500 LIPOEAPTNVDOAW-CYBMUJFWSA-N 389.408 0.833 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1 286608531 LEEUWDFPOAIZEJ-GOSISDBHSA-N 384.480 0.843 30 10 GCEE CC1(C)[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]2CCO[C@H]21 288629439 QTXVJDQTKJFRKU-ARFHVFGLSA-N 383.452 0.532 30 10 GCEE CC(C)[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]1(C#N)CCOC1 349452075 CRRMOVVJVAMPBR-LSDHHAIUSA-N 393.531 0.381 30 10 GCEE 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C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@H]1CCS(=O)(=O)C1 729334010 FZPFKFSCKMKLQL-HOTGVXAUSA-N 381.498 0.563 30 10 GCEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 729334999 GFGYVDUDWKRTNK-FUHWJXTLSA-N 387.461 0.859 30 10 GCEE N#Cc1ccccc1CN1C(=O)CN(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732673234 YVLMVHZCJNFDDZ-GOSISDBHSA-N 378.436 0.952 30 10 GCEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 742174322 ABDFUTZWSCJEBO-SFHVURJKSA-N 399.476 0.554 30 10 GCEE N#C[C@H]1CN([C@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)CCN1C1CC1 742266642 NNJGTNKAJHRJEH-IRXDYDNUSA-N 382.420 0.684 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1 758202694 ORNLRUVZRFHGDF-HZPDHXFCSA-N 377.466 0.762 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1 758761261 QEZZDVCGMUAPRY-ZNMIVQPWSA-N 379.461 0.471 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCCC23OCCO3)cn1 785057376 VFJKNFANINNFTF-OAHLLOKOSA-N 396.407 0.879 30 10 GCEE 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396.484 0.409 30 10 GCEE C=CCn1c(-c2ccc(=O)n(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 908742540 YDHFSCBGBJDWFV-UHFFFAOYSA-N 380.456 0.890 30 10 GCEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 916776036 OWQGPVJIOXMEDB-NEPJUHHUSA-N 389.355 0.961 30 10 GCEE N#Cc1sccc1S(=O)(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 918122773 ZBNXVBWLNKWRSX-GFCCVEGCSA-N 389.524 0.503 30 10 GCEE N#C[C@]12CN(C(=O)NCCOCC(F)(F)C(F)F)C[C@@H]1CS(=O)(=O)C2 922201471 AOFGBGDPVTWIFG-BXKDBHETSA-N 387.355 0.483 30 10 GCEE CC[C@@H](COCC(F)(F)F)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 922665205 ZRODXSUJAVJFKP-NTZNESFSSA-N 383.392 0.924 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)CC1 931874766 QBGYIVPEZPRCLH-GOSISDBHSA-N 389.402 0.990 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 1118007849 GRHUJSZDPPBICH-ZIAGYGMSSA-N 393.390 0.844 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1118572422 RHWHXLWAQXKTQH-NDBYEHHHSA-N 399.485 0.903 30 10 GCEE 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CC1(C)OB(c2cc(Cl)cnc2NCC(=O)N2CCNCC2)OC1(C)C 2364853059 CDRKANTTZYAFSZ-UHFFFAOYSA-N 380.685 0.878 30 10 GCEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2367825670 RCXXYYHGQPXDES-ZTENYAIWSA-N 398.525 0.915 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CC[C@@H]3S(C)(=O)=O)nc2)OC1(C)C 2368620087 XVAWSRYBYLUCOB-JSGCOSHPSA-N 380.275 0.686 30 10 GCEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CN[C@H]4CCN3C4)c2)OC1(C)C 2368736987 IGHLVNHNIVUQLH-KBPBESRZSA-N 377.319 0.823 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 74673465 YIVBQCLYZCUGKG-AWEZNQCLSA-N 376.505 0.597 30 10 GCEE CCCCNC(=O)/C(C#N)=c1\s/c(=C\c2cnn3ccccc23)c(=O)n1CC 171752314 GIDNWQSKOWVBHN-AFNIWGEMSA-N 395.488 0.997 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 181450095 WKYIPBWGLIXJRR-KRWDZBQOSA-N 387.465 0.118 30 10 GCEE COc1ncccc1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 284236625 ORKIWEWVMFWTLH-UHFFFAOYSA-N 380.408 0.322 30 10 GCEE CN1CC[C@H](/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)[C@H]1c1ccc(F)c(F)c1 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C=CCC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)OCC 451997712 ROVYDIPDRMOUDW-CQSZACIVSA-N 396.531 0.475 30 10 GCEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCOc2ccc(C#N)cc2)c1 469614329 YPQKCMKPCXWIKI-UHFFFAOYSA-N 392.437 0.620 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 503448065 MOFFLHAJOPJUQN-UHFFFAOYSA-N 396.469 0.387 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CCO1 510391228 HNCPJOQGQJMPEK-VXGBXAGGSA-N 398.407 0.236 30 10 GCEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 518714207 HQGRMDWBSVIAJJ-UHFFFAOYSA-N 382.489 0.426 30 10 GCEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)C1=O 542692195 XATOMHMCQMSBKV-HNNXBMFYSA-N 386.495 0.888 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)n1 546890407 PIDVEYVJFSZUAU-CYBMUJFWSA-N 396.373 0.948 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 554796035 VXVJWCXYSCFDAH-BLLLJJGKSA-N 391.449 0.432 30 10 GCEE C=CCCn1cc(C[S@](=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)nn1 593939499 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Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(CCC(=O)N(C)C)CC1 601372193 ZOOPCVYNKRSXMQ-UHFFFAOYSA-N 382.461 0.790 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 604190989 APLHAXUCUVIMAI-MRXNPFEDSA-N 388.468 0.628 30 10 GCEE C=CCOCCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 658615206 KYBOBAMNPIHHHK-UHFFFAOYSA-N 393.415 0.946 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1 658666389 ZZVVTZHYOJOTJI-SCLBCKFNSA-N 393.465 0.415 30 10 GCEE C=CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 679532954 DEJSXEKGENSNCZ-UHFFFAOYSA-N 390.440 0.215 30 10 GCEE Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732152742 ACAWPQOQBDNURM-YKTCQIRHSA-N 393.407 0.622 30 10 GCEE CCCN(C(=O)[C@H](C)OC(=O)c1ccc(C#N)nc1)[C@@H]1CCS(=O)(=O)C1 734600034 UANUJDSYBSXUCK-SWLSCSKDSA-N 379.438 0.924 30 10 GCEE C#CCOc1ccc(C(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)cc1 744111296 FCZCRTNTZVVRDG-HNNXBMFYSA-N 380.422 0.701 30 10 GCEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 754382321 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C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 839596837 BFONOSCPVLBNML-OAHLLOKOSA-N 391.449 0.174 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 843998988 KTMBOGUGOJINMI-ZIAGYGMSSA-N 377.466 0.714 30 10 GCEE CCOC(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 845964206 OOOUVKAWQZOFRA-MRXNPFEDSA-N 396.469 0.542 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 847210404 RULIMFYFGFNUEV-QGZVFWFLSA-N 394.453 0.806 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)c1 850620595 JVRCCPIMFMRGLL-UHFFFAOYSA-N 377.344 0.899 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)NC(=O)CN2C 860004791 JVJXJZZLEWCWKM-GFCCVEGCSA-N 392.423 0.482 30 10 GCEE COc1ncc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 863441118 BQEYAIXXSXOULF-UHFFFAOYSA-N 389.437 0.568 30 10 GCEE C=CCn1c(Cc2noc([C@H](F)[C@@H]3CCNC3)n2)nnc1N1CCOCC1 863668162 QUEBWEKEZNEJBC-IUODEOHRSA-N 377.424 0.895 30 10 GCEE N#C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 867277399 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531963442 SQGCYCDYIXAJHM-DYVFJYSZSA-N 376.482 0.778 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2COc3ccccc3O2)c1 550530943 VKSVNQYMLNVNNW-CQSZACIVSA-N 387.417 0.793 30 10 GCEE Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 550811879 AQMUXDSCERQCTO-GOSISDBHSA-N 391.431 0.795 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)C1=O 551210586 GUCWZPBMMLJPHT-HNNXBMFYSA-N 382.424 0.510 30 10 GCEE CC(C)[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C#N)c1 563431425 RIIDFGKKGQDQRD-SWLSCSKDSA-N 389.499 0.514 30 10 GCEE CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1 566865658 DJUXITNJGYMETB-SWLSCSKDSA-N 389.499 0.514 30 10 GCEE CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H]1CCN(C2CC2)C1 568334566 BCWKUORAPLJMEW-CQSZACIVSA-N 379.424 0.773 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C)(CO)C2)c1 575331298 QBUDDPUVRAYWDZ-GFCCVEGCSA-N 387.483 0.222 30 10 GCEE CN(C)CCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1=O 593676384 GSONABKQZYEZHB-UHFFFAOYSA-N 377.832 0.383 30 10 GCEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 595680801 WQXPCEUTUPPBGT-UHFFFAOYSA-N 391.497 1.000 30 10 GCEE C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 598413902 VMRLAHJQNIMZJJ-OIPACUDHSA-N 381.498 0.858 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](CC(N)=O)C3)CC2=O)cc1Cl 600678842 VXYLTTDRSFWSJZ-JSGCOSHPSA-N 390.827 0.667 30 10 GCEE N#CCc1ccccc1S(=O)(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1 601434437 QHMQDIYVUVQJMT-MRXNPFEDSA-N 376.482 0.728 30 10 GCEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609517921 GIJNJFWDHSEJIP-IAGOWNOFSA-N 383.452 0.380 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C2(c3cc(C)no3)CCOCC2)CC1 623603719 QJPSXUMSNTZKFT-UHFFFAOYSA-N 376.457 0.478 30 10 GCEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnn2)CC1 624966332 PTCMNSCDVXPMIZ-UHFFFAOYSA-N 383.460 0.602 30 10 GCEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cnccn2)CC1 634341926 RXQTXQQICIVBGJ-UHFFFAOYSA-N 396.499 0.855 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 669038419 LJMHLXJBJCYOLG-UHFFFAOYSA-N 392.423 0.992 30 10 GCEE COCCCS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714619412 PPMAMAFKNMMXPU-UHFFFAOYSA-N 376.309 0.898 30 10 GCEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763435803 PSVSHMWSVFVAFY-OAHLLOKOSA-N 398.488 0.233 30 10 GCEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cn1 772277323 HJWMYHVMYSLPFC-UHFFFAOYSA-N 384.461 0.725 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 788906908 ZUTHQDWWENCUJJ-HNNXBMFYSA-N 397.501 0.098 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(=O)NC)cc2)n1 789789500 XAHLAEZXECDXQR-UHFFFAOYSA-N 397.435 0.490 30 10 GCEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 802698296 JOOWULKTTUDHOS-AWEZNQCLSA-N 395.510 0.790 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1 816751101 ZSOQAHZGOLTAKJ-QZTJIDSGSA-N 391.493 0.533 30 10 GCEE O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CCN(O)C1=O 820185073 HRIJKZMMBUSAKO-OAHLLOKOSA-N 396.469 0.525 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1 834852835 BAKZKGYCWCFYJD-JKSUJKDBSA-N 378.469 0.780 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H](C(=O)OC)C2)cc1 839929808 MFCUXOQIYKSBFK-AWEZNQCLSA-N 396.490 0.576 30 10 GCEE CCCN1C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1=O 846742032 WOKSEQIPJHMGIX-WBVHZDCISA-N 386.452 0.425 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H]1C 848956210 NQPWPDGMOZBKFT-ZIAGYGMSSA-N 381.479 0.863 30 10 GCEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)C1CCOCC1 852639841 QKOIHKGHCQZERV-KRWDZBQOSA-N 380.466 0.680 30 10 GCEE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 863934039 BWLKEFWJAPHRLI-JTQLQIEISA-N 377.401 0.365 30 10 GCEE CN1CC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CC[C@H]21 867800114 ULIVXAZMUMLVCB-PKOBYXMFSA-N 381.480 0.759 30 10 GCEE Cn1ccnc(N2CCN(C(=O)[C@@H]3NCCc4cc(C#N)ccc43)CC2)c1=O 867958796 XLISYYYGAWBLQR-QGZVFWFLSA-N 378.436 0.188 30 10 GCEE CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 867962176 LZYUACVMXGARAD-HXUWFJFHSA-N 377.448 0.957 30 10 GCEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)OCC 870027656 XXVSGRKXWFWMJG-ZCRGAIPPSA-N 380.828 0.984 30 10 GCEE C#CCN(C(=O)C(=O)N1C[C@@H](C)OC2(CCOCC2)C1)C1CCN(C)CC1 910886948 NUOGGODFIJWZCD-MRXNPFEDSA-N 377.485 0.339 30 10 GCEE COc1ccccc1[C@@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 915096245 WIWQSVUPFJFHHH-AWEZNQCLSA-N 389.433 0.584 30 10 GCEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOCCCO 1117259700 XQTIYFFNNLQIDR-OAHLLOKOSA-N 397.497 0.655 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(OCCN(CC)CC)cc1 1117993974 JHOWYQSVLINQQQ-SFHVURJKSA-N 387.480 0.884 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)N1Cc2cccc(C#N)c2C1 1118296208 CANFPPFTAMDMAJ-CJNGLKHVSA-N 390.465 0.235 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 1119200616 YKLPNVIOEUJJLS-IBGZPJMESA-N 399.491 0.835 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c(Cl)c1 1120910079 LRIRBEVBFRHQMN-LBPRGKRZSA-N 383.857 0.800 30 10 GCEE C=C(C)Cn1c(N2CC[C@]3(CCOC3=O)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1122483189 UOBYDUDJJXZJCK-JVPBZIDWSA-N 375.473 0.909 30 10 GCEE CN1C(=O)N[C@H](c2nnc(N3CCC(Oc4ccc(C#N)cc4)CC3)n2C)C1=O 1123134138 RVJGJZRIBFPEME-OAHLLOKOSA-N 395.423 0.957 30 10 GCEE COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1189745877 NCEVFSIXIUGVQA-UHFFFAOYSA-N 392.799 0.483 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(O)(C(N)=O)CC2)cc1 1198251455 PAWJYMURSLEDFP-UHFFFAOYSA-N 396.469 0.337 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)C1 1261583049 MFRVQKHRJNKUAX-HNNXBMFYSA-N 386.452 0.966 30 10 GCEE C=CCn1c([C@H]2CCC(=O)N[C@@H]2C)nnc1N1CCC(N2CCNC2=O)CC1 1262945989 FJIAHNQPGMVOCO-HIFRSBDPSA-N 387.488 0.840 30 10 GCEE CC(C)(C)[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1282698819 UZCRITKWSXXVKI-NMKXLXIOSA-N 381.502 0.574 30 10 GCEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)O 1286404368 RBWSOVTWAYOBFT-UHFFFAOYSA-N 376.424 0.765 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1286428224 BJXKLWJUKXBOSC-QZTJIDSGSA-N 398.511 0.539 30 10 GCEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1286790513 TZGFXBCSFKHQCT-AWEZNQCLSA-N 387.469 0.665 30 10 GCEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2COCCO2)C1 1303939247 BOLJMCAMLBIIBS-KXBFYZLASA-N 388.472 0.946 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](CO)[C@H](CCO)C2)cc1 1310130732 DNJYZPKUKCPZQY-CABCVRRESA-N 397.497 0.948 30 10 GCEE C#C[C@@H](NC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1)C1CCOCC1 1313042429 GHSQGBQPCGLAOY-MRXNPFEDSA-N 377.466 0.830 30 10 GCEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1318994802 FXDHVWLBMMEHLP-NXVVXOECSA-N 388.380 0.285 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1323164512 MZMZUCAUKKMLEJ-ZIAGYGMSSA-N 382.507 0.692 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 1325762384 PUZLWPHUSRBFFB-AEFFLSMTSA-N 385.464 0.809 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC(c2nncn2C)CC1 1326547240 MLHGGNGICILDMG-KRWDZBQOSA-N 396.451 0.585 30 10 GCEE C#CCN(C(=O)C(=O)N1CC[C@](C)(C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1330124367 JNOBCWLOWNFMCQ-RISCZKNCSA-N 380.388 0.436 30 10 GCEE C=CCN(CC=C)C(=O)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1332325735 IJZUXCODRLXXNV-BRWVUGGUSA-N 377.485 0.845 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)CC1 1334910930 DHPGBLFRZQQZRK-UHFFFAOYSA-N 375.391 0.460 30 10 GCEE C#CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1ccccc1 1336632864 VOJVIDSCYJEZFQ-DLBZAZTESA-N 383.448 0.669 30 10 GCEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(c2nc(C)ns2)CC1 1338776966 YRIDMAKCBQXLMC-UONOGXRCSA-N 390.517 0.688 30 10 GCEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CC[C@@H](N2CCOC2=O)C1 1338870133 VLSJTXVYDGKGOH-CHWSQXEVSA-N 392.485 0.269 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(C(=O)C(C)C)CC1 1342220282 YLLCKLPLPYURNO-HOTGVXAUSA-N 376.505 0.896 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCC(NC(=O)NC)CC1 1342303209 LUSOMTPIVVLUOJ-HNNXBMFYSA-N 377.493 0.755 30 10 GCEE C=CCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1342384503 KFRPRKMCELCDIY-KSSFIOAISA-N 378.477 0.654 30 10 GCEE C#CCN1CCC(c2nnc(N3CC[C@@H](Cn4ccnn4)C3)n2CCOC)CC1 1343083930 ROMOHYAIBIMRMA-QGZVFWFLSA-N 398.515 0.855 30 10 GCEE C#CC[C@H]1CCCN(c2nnc(CCN(C)S(N)(=O)=O)n2CC2CC2)C1 1346601152 BKSUADRADBIIRS-AWEZNQCLSA-N 380.518 0.606 30 10 GCEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1348228286 AJSJMELTECZFHY-CQSZACIVSA-N 380.445 0.595 30 10 GCEE C=CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1356053633 HTSOPJDZUQUQPE-CABCVRRESA-N 383.456 0.362 30 10 GCEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCn1cnnn1 1358996010 OFOMWXOMDNYDAH-UHFFFAOYSA-N 375.440 0.804 30 10 GCEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](F)COC)CC1 1359031388 ZVXAYTWPYHDGTL-LPHOPBHVSA-N 395.479 0.670 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCc3ccc4c(n3)CCCC4)C2)c(=O)nc1O 1469973612 HPEROLUNYINQJI-UHFFFAOYSA-N 380.408 0.861 30 10 GCEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 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C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccc2c1OCC2 1490722715 IBVNPSHGIFIDSK-PVAVHDDUSA-N 381.432 0.623 30 10 GCEE CCNC(=O)C1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1502399271 CXQINPYEADAEOS-HNNXBMFYSA-N 398.471 0.714 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1507724964 NBURICGBDOZODS-UHFFFAOYSA-N 398.515 0.739 30 10 GCEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1507818333 MKTWWMUGXISOSM-HNNXBMFYSA-N 386.460 0.843 30 10 GCEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCCC1 1510173588 IAVPWTUVCVMPML-AWEZNQCLSA-N 395.533 0.724 30 10 GCEE C#CCN1CCC[C@H]1C(=O)NCCC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1512627005 QDWIXQMBOIJJEX-SGYMCOKNSA-N 385.508 0.910 30 10 GCEE C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](CS(N)(=O)=O)C1 1515824579 URUYPGPWDQDMBX-LSDHHAIUSA-N 382.534 0.778 30 10 GCEE C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1517636180 TVFCVWZNFABFNC-OAHLLOKOSA-N 393.465 0.823 30 10 GCEE 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C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690670914 LVFJCXYCDGLEKY-OWCLPIDISA-N 391.472 0.468 30 10 GCEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)C 1693554131 JXOHASQADMECQT-UHFFFAOYSA-N 382.472 0.952 30 10 GCEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1696908708 JRQHRCMELDLMCO-SMDDNHRTSA-N 385.428 0.560 30 10 GCEE C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CNC(=O)N2)CCOCC1 1702943420 ICXZKPBSUYDTJO-QPSCCSFWSA-N 376.457 0.289 30 10 GCEE C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1702946655 QQWRIGLDDCOQOJ-MMMWYMCRSA-N 375.473 0.822 30 10 GCEE C#CCN(c1nnc(C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705559960 CGLOMMCSHYDXNQ-MRXNPFEDSA-N 396.513 0.656 30 10 GCEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1705629124 XXTLPMIHGQQIAK-JKSUJKDBSA-N 396.513 0.693 30 10 GCEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1705869352 SDZZKILZXRXHSV-UHFFFAOYSA-N 386.460 0.806 30 10 GCEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705900002 MXHBDJSHXNNADW-CQSZACIVSA-N 383.412 0.283 30 10 GCEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](NC(N)=O)C(C)(C)C 1719847251 IAFIJYDCALIJOV-ORIJERBGSA-N 380.489 0.910 30 10 GCEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(C)(=O)=O 1722345949 KRCWSNKAKVUNPR-UHFFFAOYSA-N 378.414 0.472 30 10 GCEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cnccc1OC 1722385806 PEXFHOROTIOAAE-UHFFFAOYSA-N 378.436 0.925 30 10 GCEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1722672635 VNLMBAAXIXAOOC-CABCVRRESA-N 399.517 0.824 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1722696250 GUNMXEJKZCIHAM-IBGZPJMESA-N 384.440 0.638 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722698371 FGEDGGZBCPZMII-MELADBBJSA-N 393.513 0.575 30 10 GCEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)COC 1736556502 ZJCBHIOVYLEUGM-YJNKXOJESA-N 380.489 0.781 30 10 GCEE 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2282324351 NXYFOKJFROHXFZ-SVNGYHJRSA-N 380.279 0.047 30 10 GCEE C#CC[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282324491 PXGTZNITCIJHFS-LBPRGKRZSA-N 383.250 0.787 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(O)CCC1 2282327485 ITKGMKHQFGGPCL-UHFFFAOYSA-N 385.295 0.303 30 10 GCEE CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(N)=O 2282327608 KWYWALSANSYGMR-CYBMUJFWSA-N 386.254 0.667 30 10 GCEE C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335992 WYRSMNJLIWUVMU-VXGBXAGGSA-N 385.295 0.253 30 10 GCEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282342427 HLHZUSPGSFIZHV-LSDHHAIUSA-N 383.275 0.678 30 10 GCEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282529735 KSCMKUOMFBGXNB-LLVKDONJSA-N 386.279 0.589 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CO[C@H]2COC[C@H]12 2282584891 XHZLURCLJSVHLM-UTUOFQBUSA-N 380.275 0.894 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2CCO[C@@H]3CCNC[C@H]32)OC1(C)C 2282616893 CAVGDCOYQNTZDY-CHWSQXEVSA-N 379.291 0.645 30 10 GCEE CN(CCN(C)S(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282640052 IJOISSCSBRIIPC-UHFFFAOYSA-N 385.295 0.277 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC(F)(F)C1 2282837845 XQMSGONADAQCRN-VIFPVBQESA-N 392.237 0.580 30 10 GCEE C[C@H]1CNC[C@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282850856 UHRYNFVUGLBBDC-RYUDHWBXSA-N 384.311 0.090 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC=CO1 2282858811 CVJFBICEHBGILN-GFCCVEGCSA-N 383.279 0.690 30 10 GCEE CNCC(C)(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282865687 XJPWUCJKUPXQPV-UHFFFAOYSA-N 386.327 0.243 30 10 GCEE Cc1ccc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)o1 2282867528 AJAQURNLJKKOPF-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CCC[C@H]2C1 2282867835 FCDHSAZAROKVKL-TXEJJXNPSA-N 382.295 0.535 30 10 GCEE C=C(CS(=O)(=O)N(CC(N)=O)C1CCNCC1)B1OC(C)(C)C(C)(C)O1 2282875161 LLCOXOYPVAKYJB-UHFFFAOYSA-N 387.311 0.043 30 10 GCEE CC1(C)OB(C#CCNC(=O)CNS(=O)(=O)c2ccccc2)OC1(C)C 2283990612 HOLBJTPIKGQOEW-UHFFFAOYSA-N 378.259 0.716 30 10 GCEE C=C(CS(=O)(=O)N[C@]12C[C@](C(=O)O)(C1)O[C@H]2C)B1OC(C)(C)C(C)(C)O1 2284416383 XGVVDTBLRXIYCR-UVBJJODRSA-N 387.263 0.868 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(C(=O)O)C3)c(F)c2)OC1(C)C 2284417629 NSYFWBOKJTXSPF-UHFFFAOYSA-N 385.222 0.830 30 10 GCEE C[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2284425785 CAIGFCSRIZTAQE-KOLCDFICSA-N 381.263 0.708 30 10 GCEE CC1(C)OB(c2cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cs2)OC1(C)C 2284432336 XWEZWRWOQUNXMY-SNVBAGLBSA-N 382.247 0.496 30 10 GCEE CC1(C)OB(c2csnc2C(=O)NCCO[C@@H]2CCCNC2)OC1(C)C 2289953195 GXAAWOVHOKSKFZ-GFCCVEGCSA-N 381.307 0.941 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2321789540 YPHZGKCGZHFRMZ-HXUWFJFHSA-N 387.436 0.972 30 10 GCEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)O)cc1 2330770349 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NQPYDXPMISUTRW-ZIAGYGMSSA-N 394.449 0.677 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NC(C)(C)C 410226204 XWENULUTZWCBHC-LBPRGKRZSA-N 380.470 0.598 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CC23CCSCC3)CC1 422586097 BDPICCJFIXRYRV-OAHLLOKOSA-N 394.541 0.082 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 430373886 GGVYFNFENGWUTG-QRVBRYPASA-N 392.544 0.712 30 10 GCEE CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 441803396 RJVHXBFXSSBJIU-NSHDSACASA-N 382.302 0.459 30 10 GCEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 504470592 XMLCOUQINASMOC-UHFFFAOYSA-N 378.335 0.931 30 10 GCEE CC(C)C[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 527851325 QMPZGNOLBYXNFP-DZGCQCFKSA-N 375.429 0.981 30 10 GCEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)NC)C1 528332046 QNAJGUSGIXTWLH-CYBMUJFWSA-N 379.465 0.127 30 10 GCEE Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n(CCC#N)n1 544194155 JOLHCNBMIIBCOA-OAHLLOKOSA-N 395.423 0.751 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)c1 565314957 YLOZEGBTOGFDAJ-IUODEOHRSA-N 387.483 0.318 30 10 GCEE N#CC1(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)CCC1 566488116 OHQMCESPUUUCGY-UHFFFAOYSA-N 394.478 0.993 30 10 GCEE CC(C)(CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCCCC1 578771490 OSXDANHFMMMVAC-UHFFFAOYSA-N 398.511 0.983 30 10 GCEE C[C@]1(O)C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 580784940 IDTHSXNSVIFGCO-VDISTLRHSA-N 385.467 0.213 30 10 GCEE CC[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)C[C@H]1O 583642152 QHBHQPWKWQYKSL-SWLSCSKDSA-N 387.483 0.222 30 10 GCEE CN(C)CCN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 593178052 MZRJLXNCMXMZAR-UHFFFAOYSA-N 399.430 1.121 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@H](O)C12CCC2 595961788 MCVCUGPCDYCLPD-GJZGRUSLSA-N 399.494 0.412 30 10 GCEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(NS(N)(=O)=O)CC3)C2)c(F)c1 600563545 LMJYNSMVYSVSFM-CYBMUJFWSA-N 395.460 0.308 30 10 GCEE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C(=O)N1c1cnn(C)c1 610269916 RNMGLJJIRAMUTD-MEBBXXQBSA-N 377.401 0.903 30 10 GCEE C=C(C)C[C@H]1NC(=O)N(C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1=O 630975657 KDMTVTNEGTVLHP-OAHLLOKOSA-N 385.486 0.846 30 10 GCEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H]4C[C@]4(O)C3)nnc12 641573553 UQOKYVSDXUDMBJ-BUXKBTBVSA-N 397.460 0.916 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCN1C1CC1 737197886 KPZSCOKVQAQHDS-INIZCTEOSA-N 379.424 0.464 30 10 GCEE C#CCN(CC#CC)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 742130745 SLUXNTXQMBUMPH-UHFFFAOYSA-N 376.482 0.912 30 10 GCEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](O)C1 755436070 NMMJEBKKNRHRNA-GUTXKFCHSA-N 395.481 0.094 30 10 GCEE C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767149708 NQMQMSQWGSALRI-UFYCRDLUSA-N 380.492 0.799 30 10 GCEE COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780985994 VYZCOTCZBAORCF-INIZCTEOSA-N 381.454 0.102 30 10 GCEE 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378.469 0.407 30 10 GCEE C=C(C)Cn1c([C@@H]2CC(=O)N(CC)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1356462353 BJJNZNMQKVGSPI-ILXRZTDVSA-N 388.472 0.284 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1358889053 WIZBQBBSERZTFS-GJZGRUSLSA-N 396.513 0.917 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1358992641 RJURZYOUSWDGJL-IRXDYDNUSA-N 384.484 0.413 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)N3CCCC3)cc2C1=O 1439677870 KROTTZBOJSAZDW-UHFFFAOYSA-N 391.449 0.624 30 10 GCEE C=CCOC[C@H](NC(=O)c1n[nH]c(C)c1I)C(=O)OC 1448493269 HNTQPZZSVIBONS-QMMMGPOBSA-N 393.181 0.797 30 10 GCEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCc1cnc2c(Cl)cnn2c1 1450445885 VLXFLCNNHQHAKQ-ICFOKQHNSA-N 388.815 0.958 30 10 GCEE CC1(c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)OCCO1 1479097657 QITRRSIAGVQQPB-UHFFFAOYSA-N 399.407 0.539 30 10 GCEE C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1c1cnn(C)c1 1488981461 HACRHXSBLPGSMD-XZKMEQPCSA-N 389.500 0.421 30 10 GCEE 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30 10 GCEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 363976169 MJSMSSLOWRTKBD-INIZCTEOSA-N 376.482 0.726 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCN1C1CC1 372488449 AZWGZJRNRBXULK-CYBMUJFWSA-N 385.399 0.848 30 10 GCEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 408025117 OBEPRHDLZKLMRO-MRXNPFEDSA-N 391.497 0.664 30 10 GCEE CC(=O)N1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 408354723 MTXQSGXSJPKMOP-INIZCTEOSA-N 390.465 0.260 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 409496355 AEKCMJQFSQAVQA-UHFFFAOYSA-N 378.458 0.182 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F 409784535 DOIVQKUEMRWKTD-MFKMUULPSA-N 393.437 0.833 30 10 GCEE CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 410733437 VCLIMRMUCIDCGZ-AEFFLSMTSA-N 398.511 0.791 30 10 GCEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(CN)CC3)C2=O)cc1 418900478 DAYQKMNCHZADTC-QGZVFWFLSA-N 383.452 0.367 30 10 GCEE 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C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 290475215 UDGFOTOSOFYDGN-OAHLLOKOSA-N 394.501 0.927 30 10 GCEE COc1ccnc(N2CCN(C(=O)C(=O)N(C)Cc3cccc(C#N)c3)CC2)n1 297776742 ISDXRYSRPZAXIY-UHFFFAOYSA-N 394.435 0.664 30 10 GCEE CN(C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 298135199 BDETZLFPDKVBDJ-UHFFFAOYSA-N 393.513 0.198 30 10 GCEE Cn1ncnc1[C@@H]1COCCN1/C(O)=N/[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 328891665 SLYGTOIZDQQPRC-ILXRZTDVSA-N 376.461 0.894 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CCN1C1CC1 362120584 WJYRPDXMFAYKPC-LBPRGKRZSA-N 379.367 0.863 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1NC(C)=O 370990938 IXJSLLIQWMHGMM-OAHLLOKOSA-N 385.424 0.791 30 10 GCEE CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)n1cnc(C#N)n1 409860905 SFYXLRGFXPZGCM-GJZGRUSLSA-N 376.461 0.977 30 10 GCEE Cc1c(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)ccc(Br)c1C#N 425739594 KLTLMOPWANRZKC-LBPRGKRZSA-N 395.213 0.280 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C(CC)CC)N1CCOCC1 425865034 OHZUNXRGVOKGOY-KSZLIROESA-N 381.517 0.947 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 425880969 CJJKHZCOJQVLGF-SRVKXCTJSA-N 377.363 0.363 30 10 GCEE C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 442289885 HBQDJFXJSZXDPW-UHFFFAOYSA-N 395.463 0.997 30 10 GCEE CC[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](O)C(F)F 453854004 PDQHTVDOBUBSIO-FZMZJTMJSA-N 395.341 1.342 30 10 GCEE CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460621131 VQNHMVHQZSDNAH-CYBMUJFWSA-N 381.396 0.062 30 10 GCEE COc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1S(=O)(=O)N(C)C 462116911 KTSUTGFQUOCIQV-SNVBAGLBSA-N 378.414 0.608 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N=c2nc(-c3sccc3C)[nH]s2)C1=O 472262830 MHHQPUZOHLAGSS-UHFFFAOYSA-N 391.434 0.912 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCOc3ccccc3)CC2)n1 555670173 IZYGWHKQXOUBRS-UHFFFAOYSA-N 379.420 0.797 30 10 GCEE CCC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(CO)C2)cc1 569378690 YRVMNGLJVXFIBS-CYBMUJFWSA-N 387.483 0.270 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccncc2CC)CC1 581157847 HSWVMHHYBXTDAQ-HNNXBMFYSA-N 387.484 0.268 30 10 GCEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1 581881699 CVZCHLFDLAIDIG-HOTGVXAUSA-N 385.511 0.890 30 10 GCEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCCC1 593428268 YVQCFLFKMPOKDX-UHFFFAOYSA-N 381.458 0.916 30 10 GCEE CO[C@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 594630330 LDVXPPLTUUIJND-ZDUSSCGKSA-N 387.483 0.678 30 10 GCEE CC(C)(C#N)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 594631553 PPYWCUMVOFCTHU-UHFFFAOYSA-N 382.467 0.849 30 10 GCEE N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC[C@]2(CCCOC2)C1 594638773 SNYMZHKTADGCSI-CQSZACIVSA-N 379.504 0.042 30 10 GCEE Cn1nccc1NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CC#N)C1 595960575 XBSYDMFDSVTDSA-UHFFFAOYSA-N 395.466 0.755 30 10 GCEE CC12CC(CN1S(=O)(=O)CCCCS(=O)(=O)Nc1ccc(C#N)cn1)C2 595966625 RWTNGLJTALUCQO-UHFFFAOYSA-N 398.510 1.289 30 10 GCEE N#Cc1cnn(-c2ccc(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)cc2)c1N 598453644 SNTDWVNDLCBXTF-GOSISDBHSA-N 380.452 0.997 30 10 GCEE CCOC(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 598990276 BVPFGRDHKFEIIC-UHFFFAOYSA-N 375.385 0.120 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](CCF)C3)CC2)nc1 599398799 FQJXRVQAUCJELG-OAHLLOKOSA-N 375.404 0.189 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1COC1 600761726 RSWDPVBFPSXGTN-CYBMUJFWSA-N 387.483 0.534 30 10 GCEE CCN1C[C@H](S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1=O 601320847 DUEPOKGDYKLUSU-QGZVFWFLSA-N 378.498 0.872 30 10 GCEE C#CCN(C(=O)CN1C(=O)CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 729332343 XYWHHZFLINZYQP-CYBMUJFWSA-N 378.475 0.774 30 10 GCEE C#CCN(C(=O)c1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 732062437 QOFGBFFSQPAMOX-GOSISDBHSA-N 376.478 0.781 30 10 GCEE C#CCN(C(=O)Cc1c(C)nc2c(c(O)nn2C)c1C)[C@@H]1CCS(=O)(=O)C1 733775892 BUXTWDMTZWHSRL-CYBMUJFWSA-N 390.465 0.482 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NC1CCN(CC#N)CC1 755299195 XDZANWQBNDNZAI-OAHLLOKOSA-N 393.488 0.606 30 10 GCEE C#CCN(C(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@H]1CCS(=O)(=O)C1 774182164 WLETXRKOCVHXJJ-ROUUACIJSA-N 377.510 0.991 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@H]1CCCO1 787559157 OREOGPXSAKYDMI-QZTJIDSGSA-N 399.447 0.703 30 10 GCEE CCN(C[C@H](C)C#N)C(=O)CN1C(=O)c2cc(OC)cc(OC)c2S1(=O)=O 790029185 HTFKAWYJBIEBFG-LLVKDONJSA-N 395.437 0.856 30 10 GCEE CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 805615254 RXQIZBFMTSOVNP-SANMLTNESA-N 380.445 0.231 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 834677871 PEYVZJQKBJQNBX-QGZVFWFLSA-N 398.507 0.856 30 10 GCEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ncc(C#N)cn2)c1 842059660 UYTNHMADNOPEJQ-UHFFFAOYSA-N 390.421 0.938 30 10 GCEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 843464127 ZUUQYTLMBSSEDA-BBRMVZONSA-N 391.497 0.378 30 10 GCEE CN(C)CCn1ccc(NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)n1 846053489 YPIAGWRZZITBJF-INIZCTEOSA-N 384.440 0.447 30 10 GCEE COC1(CNC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCOCC1 846732000 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Oc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 1084602029 PQLUIADTNVPHJM-UHFFFAOYSA-N 385.428 0.696 30 10 GCEE NC(=O)N[C@H]1CCN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1117007739 DFZODSYDMQSSAU-ZDUSSCGKSA-N 382.342 0.442 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1118305777 AZLVJHGBRQHRSU-ZDUSSCGKSA-N 389.437 0.636 30 10 GCEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1118324873 WHKFYLUHSFBKDF-JKSUJKDBSA-N 387.436 0.536 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(S(=O)(=O)NCC)c2)C1 1118347449 ULYBUNHRTAKHAU-CQSZACIVSA-N 377.466 0.473 30 10 GCEE COC(=O)[C@@]1(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)CCOC1 1118945069 YFFMVINZHXUTJH-HXUWFJFHSA-N 387.436 0.608 30 10 GCEE C=CCn1c(C2=NO[C@@H](CO)C2)nnc1N1CCc2ccnc(N(C)C)c2C1 1121554029 WIFGERGZGCQSQB-CQSZACIVSA-N 383.456 0.973 30 10 GCEE C=C(CCC(=O)OC)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1136943042 VUDBIQKPIJWWBR-UHFFFAOYSA-N 389.456 0.471 30 10 GCEE CN(CCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)c1ccncc1 1144429500 VYXZVJDUJDQVDE-ZCXUNETKSA-N 385.424 0.576 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)cc1 1150067826 WJULMZORMZWEJZ-ROUUACIJSA-N 394.493 0.630 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C)s1 1154345745 QKBZFQYRNDNPBK-LLVKDONJSA-N 392.524 0.400 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)n(C)n2)c1 1169370932 CLWQROTYFHWYTA-UHFFFAOYSA-N 378.410 0.923 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H]21 1248536325 GYCXXNNZYQHQIC-BARDWOONSA-N 391.472 0.913 30 10 GCEE C#CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)C(C)C 1262534597 KNJBEZJMNLZSEB-MRXNPFEDSA-N 376.501 0.448 30 10 GCEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1262961130 YEWUCGDIMCSCLY-HUUCEWRRSA-N 392.529 0.591 30 10 GCEE C#CCN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1286370295 IZZKPAUKTLVKRF-BMRADRMJSA-N 378.396 0.331 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1295454475 YZCGFJWSUATWNX-UHFFFAOYSA-N 380.253 0.835 30 10 GCEE CCO[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1Oc1ccccc1 1296812152 HXNFPKYSKLXUNB-LZLYRXPVSA-N 398.419 0.952 30 10 GCEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300403368 KMXSHDRBTFYBAQ-HUUCEWRRSA-N 385.472 0.683 30 10 GCEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300498961 OJWFGRCSMIEWAR-CVEARBPZSA-N 379.530 0.952 30 10 GCEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CC(=O)N1CCOCC1 1300665386 KXMPIDVDRCEWDZ-UHFFFAOYSA-N 383.452 0.890 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2noc(C(C)(C)C)c2C)CC1 1311135598 FFAXJHBFCHEMDN-UHFFFAOYSA-N 383.474 0.898 30 10 GCEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1314916155 CLLGOOXLAMIIJG-OAHLLOKOSA-N 375.396 0.722 30 10 GCEE CC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1323655562 FPDGSVKWWALJET-YWMAMYRUSA-N 384.436 0.939 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)[C@H]1CCS(=O)(=O)C1 1324334595 UZYLEKZMAYVAFE-WFASDCNBSA-N 378.454 0.442 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(F)(F)c1cccc(F)c1 1328475381 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C=CCn1c([C@@H]2CCC(=O)N[C@H]2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1340375338 QSLYCWHHJOREDL-LSDHHAIUSA-N 389.504 0.056 30 10 GCEE C=C(C)Cn1c(Cc2nccn2C)nnc1N1CCN(c2nncn2C)CC1 1341756281 QSYXZYJGWCOBPY-UHFFFAOYSA-N 382.476 0.634 30 10 GCEE C=CCn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1342345745 UTPZWDGJYGQAJE-BFHYXJOUSA-N 380.518 0.952 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(c3nncn3C)CC2)n1C[C@H]1CCCCO1 1344260147 TZJGXRLYBMXXET-CABCVRRESA-N 388.476 0.522 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)CC1 1345706043 ZYWHCKMRYZVACS-MRXNPFEDSA-N 375.469 0.367 30 10 GCEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)C1 1350254852 ZPPBKCGZYRUYKV-JLTOFOAXSA-N 381.436 0.808 30 10 GCEE C=CCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(C(C)C)CNC(=O)C1 1351603706 IOXIAMGWPBGGDW-RBUKOAKNSA-N 375.473 0.874 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)cc1 1454668413 KHWLDUFKYBVUBZ-IAGOWNOFSA-N 391.449 0.370 30 10 GCEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c1 1456489040 GUGPZNCLJBCJIM-ZFWWWQNUSA-N 384.396 0.997 30 10 GCEE CN1C[C@H](CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1462818944 WENDLFPMICAPBJ-ZBFHGGJFSA-N 397.435 0.748 30 10 GCEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC)C(=O)OC 1464253971 DYOBUUSEZDVIBZ-NSHDSACASA-N 376.456 0.381 30 10 GCEE Cn1c(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc(=O)n1-c1ccccc1 1471978511 BIMZOCUGUSHXRM-FMQUCBEESA-N 395.419 0.709 30 10 GCEE C#CC1(O)CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 1473860888 INEMLXDVQFLJCS-GJZGRUSLSA-N 375.444 0.735 30 10 GCEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCc2ccc(C#N)cn2)CC1 1478763120 AGAFRDHPGPGWNP-SANMLTNESA-N 378.454 0.939 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H]1C 1490100357 IDPPPVBWROZYNT-WCVJEAGWSA-N 391.468 0.612 30 10 GCEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1507600667 JGRTXDDXRLLUNG-GFCCVEGCSA-N 379.490 0.356 30 10 GCEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507842335 GYNYLJIBLWHHMD-AWEZNQCLSA-N 384.444 0.542 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508082635 VPWBZZXRVKSVIJ-INIZCTEOSA-N 397.483 0.947 30 10 GCEE COc1ccncc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1518540706 CDPUIEPVIHTLJB-UONOGXRCSA-N 383.412 0.410 30 10 GCEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N(C[C@H]1CCC(=O)N1)C(C)C 1520393079 OSHFKABOJSUKEZ-ZIAGYGMSSA-N 392.529 0.732 30 10 GCEE C#CCN(CC#CC)c1nnc(CN(C)S(N)(=O)=O)n1Cc1ccccc1 1522060954 SYRRSTPPLLDGNU-UHFFFAOYSA-N 386.481 0.425 30 10 GCEE C[C@@H](NC(=O)C1CCC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1522231374 IQRLJUSEBQHMIQ-NGFQHRJXSA-N 378.498 0.796 30 10 GCEE C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnc1O)OCC 1522280888 YXGWXOUDXILPFI-APIJFGDWSA-N 377.445 0.603 30 10 GCEE C=CCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 1538083843 BTTIEHMKBDABCK-UHFFFAOYSA-N 387.824 0.965 30 10 GCEE C#CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCN(C)CC1 1538303270 IMZLQNGFOWJCRB-UHFFFAOYSA-N 384.392 0.747 30 10 GCEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540857797 QWSQKWCIKJFYLC-OAHLLOKOSA-N 388.472 0.633 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1540871997 ZIFRENPCUHPCPY-CYBMUJFWSA-N 397.501 0.098 30 10 GCEE Cc1ccc(C(=O)N[C@@H]2CCCC23OCCO3)cc1S(=O)(=O)NCC#N 1557574985 MPGASKQISQDTQG-OAHLLOKOSA-N 379.438 0.822 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cnc4n3CCOC4)C2=O)cc1 1564690852 ZSNSFBBOTMJWTI-QGZVFWFLSA-N 394.435 0.885 30 10 GCEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCO[C@H](C#N)C2)C1 1584956339 LBECVIVFXAYKIF-OLZOCXBDSA-N 387.458 0.162 30 10 GCEE CN(C)CCCN(CCC#N)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1597620482 KYMPMJNCUWFKHP-UHFFFAOYSA-N 378.458 0.289 30 10 GCEE Cn1cc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2C(N)=O)cn1 1615273367 FWQXKKICDNYICD-RRFJBIMHSA-N 384.465 0.659 30 10 GCEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C 1615459230 PYBDBXDDGDXANY-KFNAQCHYSA-N 380.474 0.150 30 10 GCEE Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@]3(C#N)CCc4ccccc4C3)[nH]c21 1625436302 HJLBHJVTYNIQQI-FQEVSTJZSA-N 392.419 0.862 30 10 GCEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1635646718 RWFCRVDPWATYBJ-SFHVURJKSA-N 391.449 0.717 30 10 GCEE CN1CCn2nc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2S1(=O)=O 1638196237 BEICHXZTCNZETE-UHFFFAOYSA-N 387.421 0.292 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)c(C)n2)CC1 1671911075 VZGXMRODRMFKTP-UHFFFAOYSA-N 381.458 0.406 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1686160720 FHRMSLWXOGJBJB-MTSZKFMLSA-N 391.468 0.088 30 10 GCEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1690026903 QDKUEYQXHPRLNH-UHFFFAOYSA-N 386.419 0.978 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)C1 1690696969 MOCKCNRRNDSFOJ-HUUCEWRRSA-N 388.472 0.537 30 10 GCEE C=CCNC(=O)NC(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 1691251003 IFEZZOMADRGMKX-JJXSEGSLSA-N 378.473 0.464 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](OCC)[C@H](CNCCn2cncn2)C1 1692045632 UWRPXHYLJOHUMA-XDNAFOTISA-N 377.489 0.712 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1705552050 UYWKHKIOXIEBPI-ZIAGYGMSSA-N 381.502 0.727 30 10 GCEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1705552285 XHJMNXKIKGOPLL-CQSZACIVSA-N 395.510 0.790 30 10 GCEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705567230 UWBKDIPIHILMGF-LSDHHAIUSA-N 382.486 0.445 30 10 GCEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705888963 QHGADGIOZNGUFV-GFCCVEGCSA-N 386.843 0.932 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(N)=O)CC1 1705903124 QRPVQOYTXVFJFO-OAHLLOKOSA-N 390.488 0.566 30 10 GCEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CC(=O)N2CCOCC2)C1 1705929519 RZBHABHOHDQFIE-HNNXBMFYSA-N 379.461 0.455 30 10 GCEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1707801216 ABFCILROAKUVDL-DZGCQCFKSA-N 384.444 0.357 30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccco1 1719831648 XLXKGIXUHVQKBD-XGUBFFRZSA-N 375.425 0.849 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 1722424854 CEKZLPPILLAXTC-MRXNPFEDSA-N 387.488 0.485 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(C)=O 1722467708 WDSXPMNMZINYHG-SUMWQHHRSA-N 396.517 0.407 30 10 GCEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722532116 CAVZPLNXOTXSRK-ZIAGYGMSSA-N 376.461 0.489 30 10 GCEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCN(C)C2)CC1 1722566263 NVEHPVFPDPSWIL-CRAIPNDOSA-N 395.529 0.403 30 10 GCEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740564935 CTTIRXCYTQFTSA-INIZCTEOSA-N 390.488 0.561 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1740653848 ZOFDKKHMCLRDQX-OAHLLOKOSA-N 382.468 0.738 30 10 GCEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1741798473 BVWKVXBEYUDWQN-TZMCWYRMSA-N 385.428 0.877 30 10 GCEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCN(C)C1 1748852601 IDQUUFWMUSXHRJ-LJQANCHMSA-N 384.509 0.773 30 10 GCEE COCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1749661384 LZDOLIXYSCPLIB-IUODEOHRSA-N 388.469 0.757 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1760217822 NRHHWNHILHATPE-KUNJGFBQSA-N 387.509 0.993 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760522485 UYHSJBOOLLXFGD-QDSSRZTBSA-N 375.473 0.681 30 10 GCEE Cn1cnnc1CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856059578 KTDAPUQVDUMYNY-MRXNPFEDSA-N 393.451 0.983 30 10 GCEE C[C@H](CC(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1857120183 POFRKOHTGRHEQY-PBHICJAKSA-N 394.435 0.992 30 10 GCEE CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)nn1 1857143152 CZBHDAMKVMSPGL-OAHLLOKOSA-N 385.472 0.205 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H]2CCCS2)C1=O 1857151747 BTMTVUZRVYUWHX-HUUCEWRRSA-N 386.481 0.492 30 10 GCEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCOCCO)ncnc21 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387.527 0.546 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 875057123 LHXHPHJVXKZVCP-OALUTQOASA-N 387.480 0.639 30 10 GCEE C#CCCN1CCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)CC1 881811738 NIHULRWTKWSARX-XMMPIXPASA-N 384.527 0.876 30 10 GCEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 882773984 OGAJTRGZIMWDPD-UHFFFAOYSA-N 375.443 0.768 30 10 GCEE C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C[C@@H](C)N1CC#N 911703184 LOGAEYJWXARZFX-STXHMFSFSA-N 383.452 0.898 30 10 GCEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)C1CSC1 912372403 QDROGOAWGOYQLH-UHFFFAOYSA-N 395.506 0.891 30 10 GCEE C#CC1(O)CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 912968178 IOQPIUYPJBLUEC-UHFFFAOYSA-N 378.450 0.308 30 10 GCEE N#C[C@@]12CN(C(=O)N[C@H]3COc4cc(F)cc(F)c43)C[C@@H]1CS(=O)(=O)C2 921934966 IXSSJZSDMBVRPG-ABYOOWDOSA-N 383.376 0.978 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1 1118339991 CPKMYHBOKPIHNK-OAHLLOKOSA-N 397.479 0.271 30 10 GCEE C=C(C)CN(CC)C(=O)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1120302925 QEEXSAVGZYZSAR-UHFFFAOYSA-N 388.468 0.302 30 10 GCEE C=CCn1c(CS(C)(=O)=O)nnc1N(CCOC)CC1CCN(C)CC1 1121606032 RKDVPPFZNHCHRR-UHFFFAOYSA-N 385.534 0.803 30 10 GCEE C=C(C)Cn1c(CN2CCC(CO)CC2)nnc1N1CCS(=O)(=O)[C@H](C)C1 1122566393 FHOQNZDFCHWABG-OAHLLOKOSA-N 397.545 0.682 30 10 GCEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1146337262 HTIFWVKLERZEKH-GOSISDBHSA-N 395.463 0.986 30 10 GCEE C=CCCC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 1155473936 ABZCRYKDKHAZBN-ZDUSSCGKSA-N 380.422 0.845 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 1261358030 JRXMWQHVTTYNEE-BZUAXINKSA-N 391.468 0.705 30 10 GCEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1263298616 CCVJQOFAYZLBBO-IGCXYCKISA-N 379.486 0.676 30 10 GCEE C#CCCN(CCOC)c1nnc(-c2cnc(CO)cn2)n1C[C@H]1CCCO1 1263464057 RFUSDQYBPXTTAU-MRXNPFEDSA-N 386.456 0.883 30 10 GCEE 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C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1122841720 PJAQPYUKAKZCRP-KGLIPLIRSA-N 379.486 0.512 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3SCCNC3=O)n2C[C@H]2CCCO2)CC1 1122922164 CKHPZECAXKCMCH-CABCVRRESA-N 390.513 0.116 30 10 GCEE COC(=O)[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1c1ccccc1 1136671902 VEUYNMGYXFVDQL-FRBFLASMSA-N 383.404 0.976 30 10 GCEE C#CCN(C)CCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1141581078 RQNGJLCYQLBDDH-HNNXBMFYSA-N 378.860 0.385 30 10 GCEE N#CCN1CCC(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1146579984 OURUODYPRHFBNQ-CQSZACIVSA-N 396.538 0.939 30 10 GCEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)c1 1174642254 SSUPLQLWPDAFGY-UHFFFAOYSA-N 390.465 0.426 30 10 GCEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1 1177976314 YYDWOMFGACMCBO-GJZGRUSLSA-N 381.454 0.538 30 10 GCEE C[C@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1261697034 CSTNIDHZMBZOJH-ZQFZRKHZSA-N 382.420 0.474 30 10 GCEE 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C/N=C(/NCC1CCN(C(C)=O)CC1)N[C@@H]1CCCN(c2cnn(C)c2)C1 86744638 SPETYEJDEDVTNO-QGZVFWFLSA-N 375.521 0.812 30 10 GCEE Cn1c([C@@H]2CCCN(S(C)(=O)=O)C2)nn(Cc2ccccc2C#N)c1=O 108402263 LQEONLMXAUBSQI-OAHLLOKOSA-N 375.454 0.641 30 10 GCEE C#CCOc1ccccc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 274826159 GBQDQUVXFOYKSE-UHFFFAOYSA-N 386.452 0.707 30 10 GCEE C=CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 282137695 BFRNMVBQYQYYFU-UHFFFAOYSA-N 397.483 0.507 30 10 GCEE COCCN1CCC[C@@H]1C/N=C(/O)N1CCN(C(=O)c2ccccn2)CC1 329344691 COHWELCXTDYUND-MRXNPFEDSA-N 375.473 0.864 30 10 GCEE Cc1nc(O)sc1S(=O)(=O)NCC/N=C(/O)[C@@H](C)N1CCOCC1 329885394 UPBSTNUCEFLYPB-SNVBAGLBSA-N 378.476 0.113 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 369883919 MTTLOJKVUMFRJS-ZCXUNETKSA-N 399.455 0.645 30 10 GCEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 371835414 SLYKSKXWJLLKTE-LBPRGKRZSA-N 380.351 0.641 30 10 GCEE C[C@@H](C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)n1cnc(C#N)n1 409848940 FZMUBOIOBKWIBC-STQMWFEESA-N 394.391 0.234 30 10 GCEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)o1 458057876 ZBECWQANYBRTBQ-UHFFFAOYSA-N 382.376 0.500 30 10 GCEE N#Cc1ccc(C(=O)NCC(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 495741438 GLKALEJMWNMWGW-SFHVURJKSA-N 398.463 0.918 30 10 GCEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 508827760 SFNSYODERFTEGR-QGZVFWFLSA-N 398.467 0.978 30 10 GCEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC[C@@]3(CCNC3)C2)CC1 514596483 XQDYUHRNQHBFNN-NRFANRHFSA-N 399.470 0.948 30 10 GCEE CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 515707466 SBDIHXKHJSUDDN-UHFFFAOYSA-N 377.875 0.914 30 10 GCEE CSc1nc(O)c(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C#N 516202731 ITACLBAKROGCRK-LLVKDONJSA-N 399.498 0.381 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC)cc2)CC1 556022670 WETOJJXOYVUQFU-UHFFFAOYSA-N 388.468 0.148 30 10 GCEE CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 563064209 YXXAGAGSPMAKNK-GOSISDBHSA-N 390.509 0.821 30 10 GCEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 563922711 ISSMTAXPEYPILI-LBPRGKRZSA-N 389.481 0.934 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cc1 574464970 ZHWHFKMTVAJMTE-WFASDCNBSA-N 399.494 0.412 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 588752026 QLHNIKAZTFZJHF-ZWKOTPCHSA-N 390.528 0.862 30 10 GCEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 595127277 IPFGTACULSOCIV-NRFANRHFSA-N 397.479 0.209 30 10 GCEE C=CCOCCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 595189682 WTZIUEVTDOWOOW-UHFFFAOYSA-N 377.401 0.347 30 10 GCEE C[C@@]1(C#N)CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 595371396 FPDSBRWAOUKQRJ-SFHVURJKSA-N 391.449 0.865 30 10 GCEE C[C@]12COC[C@@]1(C)CN(S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1)C2 595962158 XWTOLGFBXVUNMQ-OKILXGFUSA-N 391.515 0.040 30 10 GCEE CC12CC(CN1S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1)C2 595962830 UYMFGRUXBNCWKI-UHFFFAOYSA-N 384.483 0.899 30 10 GCEE CO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 596680665 QXZADCYDOODAQH-RDJZCZTQSA-N 393.465 0.443 30 10 GCEE COc1cc2nc(C(=O)NC3(C#N)CCN(C)CC3)c(=O)n(C)c2cc1OC 597164174 FZWJACKQBFFBNE-UHFFFAOYSA-N 385.424 0.668 30 10 GCEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 599680619 UWHSGCNUJBBEAO-LBPRGKRZSA-N 376.363 0.902 30 10 GCEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(CCCO2)C1 600765462 BCOVEIOHFBTHTK-UHFFFAOYSA-N 379.504 0.135 30 10 GCEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 609517874 AKNZTRQOTCLJCO-ZDUSSCGKSA-N 391.815 0.003 30 10 GCEE Cc1ccc(S(=O)(=O)NC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 616340071 PFCRFJZDQGMNDE-UHFFFAOYSA-N 387.483 0.596 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(COC)C(=O)O)c1 643847661 MFFFKHDWWVUQEU-KRWDZBQOSA-N 382.438 0.857 30 10 GCEE CCOC(=O)C(C)(C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742625432 CACYPYZQUJSFNG-NSHDSACASA-N 381.454 0.962 30 10 GCEE C=CCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771582303 KACPNWHOIXACRR-XCLFUZPHSA-N 398.419 0.782 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC 772450884 BRRQOKROHOJWNS-RDBSUJKOSA-N 377.484 0.170 30 10 GCEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 774229328 VSXMJSSGBQNGFR-MGPQQGTHSA-N 376.500 0.174 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 776061432 FYWZKSGTTPUVKP-MRXNPFEDSA-N 380.489 0.692 30 10 GCEE N#Cc1ccc([C@H](O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 780919995 GEYCUHOSRIEZSK-FQEVSTJZSA-N 393.447 0.842 30 10 GCEE C#CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 799086271 VGEOUWNQVQTFPY-MRXNPFEDSA-N 391.449 0.701 30 10 GCEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCN(O)C2=O)cc1 816692105 GPWXPYJGYRQPPD-CABCVRRESA-N 383.470 0.794 30 10 GCEE CC(C)(C)N1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 820110623 HENCZOWNHUZLKX-CQSZACIVSA-N 379.438 0.779 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 831585202 SQAIDFXCGUPWOU-SJORKVTESA-N 379.457 0.931 30 10 GCEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)C1 847560934 NSFMRKWSJBYIMQ-CYBMUJFWSA-N 375.450 0.356 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 848366942 UUMWUHBHWDPUFG-BXUZGUMPSA-N 392.437 0.324 30 10 GCEE C[C@H](CC(=O)N[C@@H](CN)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 848439214 QSRMORANYQOTGO-KCJUWKMLSA-N 378.376 0.510 30 10 GCEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1 848954248 BBSJTGABDCIQKH-CYBMUJFWSA-N 399.519 0.618 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)C1CC1 850428029 JMPQWOBRWVXOFU-UHFFFAOYSA-N 375.450 0.785 30 10 GCEE C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-n2ccccc2=O)cc1F 850459839 HTYLRBYUTHIWAG-UHFFFAOYSA-N 384.411 0.986 30 10 GCEE Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(N(C)C)nn1 850477959 YPCYHNSRJLJXHN-INIZCTEOSA-N 382.424 0.853 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Cn2ccnn2)C1 855236995 FUVIFLZRTPXMIV-CYBMUJFWSA-N 388.453 0.255 30 10 GCEE CCOC(=O)CON=C(C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1cc[nH]n1 855344211 CMLKQUZRUCYVPY-CQSZACIVSA-N 399.407 0.397 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 862200107 UCPZOJNSDAIQOB-CQSZACIVSA-N 382.438 0.203 30 10 GCEE C#C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1CCOCC1 862219714 OPAVGNDZOKWKFL-GOEBONIOSA-N 393.484 0.999 30 10 GCEE Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 874177274 BBDFSIUQBUTACY-UHFFFAOYSA-N 397.410 0.992 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 875070716 HIIRPVCKEUUSMX-MSOLQXFVSA-N 386.496 0.468 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 891310795 FCEFVOZCJPBRID-UHFFFAOYSA-N 384.436 0.998 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)c1C#N 898624781 ZKIZPJDPVWWRPF-BVUBDWEXSA-N 384.484 0.657 30 10 GCEE C=C1[C@@H](C(=O)N2CCCC3(C2)OCCO3)[C@@H]1C(=O)N1CCCC2(C1)OCCO2 901149366 WOYNSSRKYBQEEN-HZPDHXFCSA-N 392.452 0.520 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCOC[C@H]1c1ccc(COC)o1)[C@@H]1CCCO1 930471122 VAHYVFMBNLFWBI-JYJNAYRXSA-N 376.409 0.623 30 10 GCEE COc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1OC 1116024760 AGAAHCPZYJLZFB-SDXDJHTJSA-N 375.381 0.969 30 10 GCEE C[C@]12COC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1118636910 XLQKNLBPOCLQBB-LZJOCLMNSA-N 396.447 0.270 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)CC1 1118742823 BHQZSYKZOWSGIN-RCCFBDPRSA-N 383.423 0.568 30 10 GCEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C#N 1119479651 HRTPBQXJMSMBSG-BXUZGUMPSA-N 379.438 0.265 30 10 GCEE C=C(C)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1122482432 MFGBJXCHEMWHNX-DNVCBOLYSA-N 376.505 0.728 30 10 GCEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C#N)cn1)CCS2(=O)=O 1134650239 DYKOOFWHDWJHDH-FHBSJOOWSA-N 391.449 0.891 30 10 GCEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CS(=O)(=O)C2)cc1 1136286909 LQJZCNCBSTURDY-SAPNQHFASA-N 385.467 0.483 30 10 GCEE 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CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2342068387 DVWWGYBQJWKBNC-PMUMKWKESA-N 386.514 0.773 30 10 GCEE C#CCN1CC[C@@H](NC(=O)[C@H]2[C@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2358189615 UPIBBKOXBZLRRB-KLHDSHLOSA-N 381.473 0.459 30 10 GCEE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 2362089148 ULZJJNRFGCUXTE-KBPBESRZSA-N 382.291 0.913 30 10 GCEE CN(CCCS(C)(=O)=O)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362355337 HWTDUXVOVABSCQ-UHFFFAOYSA-N 385.295 0.226 30 10 GCEE COCCn1cc(C#C[C@H](O)[C@@H](C)N2CC(NC(=O)OC(C)(C)C)C2)cn1 2366097387 UHNYLKXDLBLIFN-PBHICJAKSA-N 378.473 0.839 30 10 GCEE Cn1nccc1C#C[C@H](N)C1(O)CCN(CCNC(=O)OC(C)(C)C)CC1 2367755661 XSLZVQJJXFXYNT-INIZCTEOSA-N 377.489 0.451 30 10 GCEE Cc1scc(C(=O)N2CC(OCC(N)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2369539481 DMULXXMTJMUFGE-UHFFFAOYSA-N 380.275 0.682 30 10 GCEE C#CC[C@H](CO)N[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2376828163 VWOBPFIHTFUZHA-ZMYBRWDISA-N 382.457 0.974 30 10 GCEE CC#CCN1CCN([C@@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CC1 2378180953 BBAXJVPCGXKHCR-LJQANCHMSA-N 381.473 0.718 30 10 GCEE C#CCOc1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1 66873142 BHTVKWXMDWBOLX-UHFFFAOYSA-N 399.428 0.749 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 129876240 YSZRNYGXLQMATC-ZDUSSCGKSA-N 396.373 0.948 30 10 GCEE Cc1cc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n[nH]1 189729939 YWYBDJVTUAHTNC-UHFFFAOYSA-N 387.465 0.853 30 10 GCEE N#Cc1cc(S(=O)(=O)NC[C@H](N2CCNCC2)C(F)(F)F)ccc1F 261841978 QQIIVOWYVWJPAA-ZDUSSCGKSA-N 380.367 0.812 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)CC1 265017833 NDTIGUZKHAVXDO-HOTGVXAUSA-N 394.541 0.218 30 10 GCEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCO[C@H](C#N)C1 269407440 FJKNETQYQUWWEF-CHWSQXEVSA-N 396.469 0.497 30 10 GCEE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 285720763 DISIDKKWXWCAFI-CVEARBPZSA-N 382.482 0.747 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCSCC3)C2=O)cc1 288656819 RGKDYDGVVXAHGL-MRXNPFEDSA-N 386.477 0.741 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3)C2)CC1 297766301 JCWVDIYQTBBEIB-QGZVFWFLSA-N 396.495 0.546 30 10 GCEE C[C@@H](/C(O)=N/C1CCCC1)N1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 329026556 VPGXUCLAOQODBN-ZDUSSCGKSA-N 379.461 0.312 30 10 GCEE CN1CCO[C@@H]2CCN(/C(O)=N/CCOc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 329107303 FGSNLLJBCNCNRM-DLBZAZTESA-N 397.497 0.788 30 10 GCEE CCO[C@@H]1C[C@H](/N=C(/O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)[C@]12CCCO2 329822326 ATRGLQHFOHRQKL-OJKRMQCYSA-N 376.475 0.718 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC12CCOCC2 349530534 YNIBQSCRCYNYML-ZDUSSCGKSA-N 379.504 0.135 30 10 GCEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4NCC[C@@H]4C3)n2)c(Cl)c1 415764133 JEEKLDVOGZQKTR-HIFRSBDPSA-N 398.854 1.546 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCc3cc(N)ccc32)CC1 420104040 SAJXITFFYOPQNB-SFHVURJKSA-N 399.495 0.209 30 10 GCEE COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 502997718 IKCYTHCAWYLWJO-AWEZNQCLSA-N 394.435 0.883 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 512992570 OKDLEVNCRUNKMU-UHFFFAOYSA-N 384.440 0.511 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2cc[nH]n2)cc1 517757185 OGARSFJJFLWNSM-LBPRGKRZSA-N 397.482 0.763 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 522286534 MEFVNIWHGACIIL-SFHVURJKSA-N 399.495 0.811 30 10 GCEE CN(C)C(=O)c1cccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 527679777 QYFXEKBDYJXQIZ-UHFFFAOYSA-N 396.407 0.289 30 10 GCEE CNC(=O)NC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CCO1 529063186 JGLURGCTPAFJPN-CYBMUJFWSA-N 376.417 0.926 30 10 GCEE COc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550320303 XDEVLBLDFURXQF-UHFFFAOYSA-N 379.420 0.927 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccc4c3OCO4)CC2)n1 556646554 VJIMLMLOJJEJLL-UHFFFAOYSA-N 393.403 0.647 30 10 GCEE CC1(CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CCOCC1 565904702 RRCZMRMGEOLXOB-UHFFFAOYSA-N 387.483 0.583 30 10 GCEE CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 579544970 OCTNJLFSWKSQFD-LMKMVOKYSA-N 393.494 0.972 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1 592425270 ZMBHGJFEJNRIQF-MNOVXSKESA-N 385.355 1.191 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)c1 594630764 VDSNRAUNJDCRDX-OAHLLOKOSA-N 387.483 0.222 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)C3CC3)c2)C[C@@H]1O 594631550 NJAFXXWNHHQFSV-WBMJQRKESA-N 399.494 0.365 30 10 GCEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)c1 595955469 FMUUDUPRIVOWKH-KGLIPLIRSA-N 385.467 0.070 30 10 GCEE C[C@]1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 596849064 SKKVLRNQVUZFND-MRXNPFEDSA-N 379.442 0.870 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 600767454 QGJDZEWBIPGSHW-XQQFMLRXSA-N 381.545 0.508 30 10 GCEE COC[C@@]1(C)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 600809554 UOKCOLYMGFEULH-QGZVFWFLSA-N 381.454 0.674 30 10 GCEE C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCO[C@@H](CNC(=O)NC)C1 624977520 MLJZTDMKWISMLN-QLFBSQMISA-N 378.477 0.881 30 10 GCEE C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 643698327 LYQNYSOZVTVHSP-SFHVURJKSA-N 379.461 0.411 30 10 GCEE C=CCn1c(Cc2ccccc2O)nnc1N1CCN(CC(=O)N(C)C)CC1 669027582 YJONSCYGYVPCDG-UHFFFAOYSA-N 384.484 0.971 30 10 GCEE CCNc1nc(N2CCS(=O)(=O)CC2)ncc1B1OC(C)(C)C(C)(C)O1 725434835 IROQIOLGWHDLIP-UHFFFAOYSA-N 382.295 0.442 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc(F)c1C#N 747902152 HRJSSNZSVILEBT-UXOAXIEHSA-N 396.396 0.811 30 10 GCEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)nc1 753280499 SUPFLDUAOXMFOU-KRWDZBQOSA-N 398.467 0.829 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCOc2cccnc2)cn1 763401233 XIGCCFSTGOSDMI-UHFFFAOYSA-N 377.364 0.668 30 10 GCEE C#CCN(C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 774251442 KPYXJQWARGXQPD-JKSUJKDBSA-N 381.498 0.609 30 10 GCEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccnc2OCCOC)c1 783463095 YTIPPMAUQLREQP-UHFFFAOYSA-N 396.403 0.782 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CCS(=O)(=O)C1 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Cn1c2c(ccc1=O)[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)CCC2 846723735 YQMOPTUVTGOMHT-OAHLLOKOSA-N 394.435 0.374 30 10 GCEE CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](OC)C2)c1 848954182 ZJLDYMNKJHRXHD-CYBMUJFWSA-N 387.483 0.630 30 10 GCEE CCS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 850690359 XHVJQPVGBXYDOU-UHFFFAOYSA-N 383.401 0.750 30 10 GCEE C#CCN1CCN(C(=O)Cn2c(=O)cc3ccc(Br)cn32)CC1 853703748 ZRUIGBNCPSOXJZ-UHFFFAOYSA-N 377.242 0.641 30 10 GCEE C#C[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 854772127 QGVLFNSIJVYLIR-MLGOLLRUSA-N 394.225 0.326 30 10 GCEE CNC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC)CCO1 858972417 NRDYNIOMSFPIQW-MRXNPFEDSA-N 399.455 0.597 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)C1 859417143 JEMFZKWBURZKIA-IEBWSBKVSA-N 384.480 0.661 30 10 GCEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccnc(N2CCOCC2)n1 859936586 ZKBQYLMYTSEQFF-SCLBCKFNSA-N 375.429 0.913 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 862196168 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0.579 30 10 GCEE C#CCN(C(=O)C(=O)NCCC(=O)OC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1117576993 ODRZYUPGRULDMD-AWEZNQCLSA-N 398.481 0.018 30 10 GCEE CC1CC(n2nnc3c2CN(C(=O)C(=O)N2CCN(C4CC4)[C@H](C#N)C2)CC3)C1 1118950481 WOOJAMBHKAAUEJ-AVVWSFFYSA-N 397.483 0.333 30 10 GCEE N#CC1(C[C@H](O)CNCC2CCN(S(=O)(=O)C(F)F)CC2)CCOCC1 1118960166 VGZGDQORSATJIA-AWEZNQCLSA-N 395.472 0.912 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C1CC1 1119130686 WOABVBWDQHBOHX-IBGZPJMESA-N 397.479 0.338 30 10 GCEE C=CCc1cc(CNC(=O)C(=O)N2CCNCCNCC2)cc(OC)c1OC 1120420687 OCMMPSULRIBQBP-UHFFFAOYSA-N 390.484 0.070 30 10 GCEE C=CCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(C)C[C@H](O)CN1C 1121708140 INHLPFUFNPOTQA-IUVQAAGXSA-N 377.489 0.760 30 10 GCEE C=CC[C@@H](CO)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1139490490 VHSZPVRCCJQIQD-STQMWFEESA-N 376.475 0.464 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)c1 1151383400 LMDBOKKLSWJQOL-IRXDYDNUSA-N 391.449 0.370 30 10 GCEE 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C=CCNC(=O)CN1CCN(S(=O)(=O)C[C@H](Cc2ccccc2)OC)CC1 420642681 FACXHOQHXJGIHF-SFHVURJKSA-N 395.525 0.494 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2COc3ccc(F)cc3C2)CC1 461735786 SIFMZNNRGDXTJF-MRXNPFEDSA-N 376.432 0.759 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CN2CCC1CC2 532218971 JVZULEPBIPVWTG-CXAGYDPISA-N 376.482 0.778 30 10 GCEE C=CCOCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 555514350 AUDOJRFLDHFXBE-HNNXBMFYSA-N 375.473 0.152 30 10 GCEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 557850161 TVBPOZZSTNZIPP-GFCCVEGCSA-N 390.462 0.246 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c1 567627403 PMSUAXQUXBWQKX-HZSPNIEDSA-N 399.494 0.434 30 10 GCEE CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1)[C@H](C)O 568255266 VIBUEPZLKFUFNV-FZMZJTMJSA-N 387.483 0.459 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCNCC2(N3CCOCC3)CCOCC2)c1 571277668 PGLRMPZYLNHDHL-UHFFFAOYSA-N 393.509 0.803 30 10 GCEE COc1cc([C@@H](C#N)NC(=O)c2ccc3c(c2)B(O)OC3)cc(OC)c1OC 584937881 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GCEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2CSCC2=O)cc1 604545619 UZOZESUJRLUGJT-ZDUSSCGKSA-N 376.463 0.931 30 10 GCEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 619843559 LDXVJKRIYOMTQI-ZDUSSCGKSA-N 384.371 0.559 30 10 GCEE C#CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 729331395 OPCMIKAIJNELOO-RRFJBIMHSA-N 380.466 0.201 30 10 GCEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1CC(=O)NC1=O 732357627 QMUPCFUMPLNYDF-NSHDSACASA-N 390.421 0.972 30 10 GCEE C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744781086 MDGIRFPLIFPZKA-QWHCGFSZSA-N 384.479 0.972 30 10 GCEE CN1CCC(CNC(=O)C(=O)Nc2cnn(CC#N)c2)(N2CCCCC2)CC1 746423960 ZITUHBFRAPAXHK-UHFFFAOYSA-N 387.488 0.412 30 10 GCEE C#CCN(C(=O)NCc1cccc(NS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 774164472 RUVAJEHCGLYVNU-HNNXBMFYSA-N 399.494 0.390 30 10 GCEE COc1n[nH]c(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 778955598 MVWLTQUONBJUGR-LLVKDONJSA-N 392.441 0.905 30 10 GCEE CNC(=O)[C@H](NC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 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C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 838585580 SXUZPEHVSUNJAE-LBPRGKRZSA-N 389.836 0.801 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](CN)C2CCCC2)n1 842264104 VFIYMJDXGTYZRO-KRWDZBQOSA-N 375.473 0.125 30 10 GCEE CC(C)(C)OC(=O)NC[C@H](O)CNCCS(=O)(=O)c1cccc(C#N)c1 843077228 QKWVRZPWOODROO-CQSZACIVSA-N 383.470 0.807 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCSC[C@H]1CCO 846269111 FLGSYLLPPCNDOK-CVEARBPZSA-N 377.466 0.376 30 10 GCEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)C1 847561454 AMTPLXUYAKPUFC-LBPRGKRZSA-N 392.433 0.687 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 850681663 IOHOTEXYWNCVEC-CVEARBPZSA-N 386.408 0.103 30 10 GCEE C#C[C@H](NC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1)C1CCOCC1 852640954 JWNJGZQRUSAVFY-HAWMADMCSA-N 384.498 0.901 30 10 GCEE CN(C)C(=O)N(C)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 853584831 RYBTUJDDGBFWGD-QGZVFWFLSA-N 398.467 0.968 30 10 GCEE C#C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 854768387 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C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)CCCOC)CC2)cc1 929859419 PUPYJJPGFZCAGW-UHFFFAOYSA-N 393.509 0.980 30 10 GCEE C=CCc1ccc(OC[C@@H](O)CN2CCO[C@@H](CS(C)(=O)=O)C2)c(OC)c1 933638170 YDESTQOZZHOJKL-DLBZAZTESA-N 399.509 0.909 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 934322886 SOOBGLCMINHABK-KRWDZBQOSA-N 394.493 0.249 30 10 GCEE COCCn1cc(C=NNc2nc(SCC(=O)NCC(C)C)n[nH]2)cn1 1083961769 DBYSLMGWFZAMOO-UHFFFAOYSA-N 380.478 0.958 30 10 GCEE N#C[C@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2ccnc2)CCN1C1CC1 1119068683 ZOROKQZEXAJGNH-IBGZPJMESA-N 392.463 0.746 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CCC(C(=O)NC)CC1 1122578948 NVVUZDJYMDJERU-CQSZACIVSA-N 392.529 0.591 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1177698951 NDJZELBEILHDCP-STQMWFEESA-N 380.445 0.283 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)c1 1180372275 SYVAOCOSVGFEQS-QGZVFWFLSA-N 391.453 0.021 30 10 GCEE CN(C)C(=O)CCNC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1257212148 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C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@H]2OC)nn1 941843304 QISPCVMNYHVFEU-XOSAIJSUSA-N 390.488 0.150 30 10 GCEE CCN(CCO)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116625789 DWJYWHPYFHDWHU-INIZCTEOSA-N 387.440 0.194 30 10 GCEE C=CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)O 1116922687 YGMASNMUAIFAFS-DGAVXFQQSA-N 386.470 0.242 30 10 GCEE CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F 1117077095 UUAWHOLBRATEIM-UHFFFAOYSA-N 384.433 0.148 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 1118881206 UFLRCCYYPXUWCM-AWEZNQCLSA-N 390.465 0.235 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2ccnc2)CCN1C1CC1 1119068684 ZOROKQZEXAJGNH-LJQANCHMSA-N 392.463 0.746 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)NCc2cc(C(F)(F)F)nn2C)n1 1119844025 XAQYQDLAQQUIJQ-UHFFFAOYSA-N 396.373 0.934 30 10 GCEE C=CCn1c(-c2cnns2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1121643560 FNJLZLFHAFIZHC-UHFFFAOYSA-N 383.503 0.843 30 10 GCEE 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C#CCOc1ccc(Cn2nnnc2N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1334425534 TZFUBFIFLOTLOR-JKSUJKDBSA-N 387.465 0.604 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1335010254 XWJXFOWGARDCBW-HNNXBMFYSA-N 375.425 0.096 30 10 GCEE C#C[C@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)C1 1336889196 PSERVWZZRAXMEY-CQDIZWNASA-N 382.482 0.940 30 10 GCEE C=CCn1c(C[C@H]2CCCCNC2=O)nnc1N1CCO[C@H](CC(N)=O)C1 1338911620 JMBNUAXLDZZQLH-ZIAGYGMSSA-N 376.461 0.004 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)NCC34COCCN3CCOC4)CC2=O)cc1 1339698640 DKPHBQNFOYKIQQ-INIZCTEOSA-N 384.436 0.129 30 10 GCEE C=CCn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(C)C[C@@H](O)CN1C 1339852267 DZDPEBUJWRYUFU-CPUCHLNUSA-N 385.534 0.635 30 10 GCEE C=CCn1c(C2CCN(C)CC2)nnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1339884301 GMSOMVZNGMLMDE-SFHVURJKSA-N 395.529 0.667 30 10 GCEE C=CCn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCSC2(CCOCC2)C1 1342456589 WFSVZXAJAUJXBE-LBPRGKRZSA-N 392.485 0.789 30 10 GCEE 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Cc1nnc2c(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nccn12 466923520 LCTGDEXYQLORDF-UHFFFAOYSA-N 383.437 0.815 30 10 GCEE C=CCCC[C@H](C)NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 487785271 VXCWMRUQUQFTLM-BTFPBAQTSA-N 380.441 0.799 30 10 GCEE CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 490120245 OBQMBCINEYPGDB-LLVKDONJSA-N 377.875 0.866 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 492459235 VVAUGKZHDDOWSS-IBGZPJMESA-N 398.507 0.667 30 10 GCEE COCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505513037 FBOUGOLIEIBGGI-KRWDZBQOSA-N 399.451 0.554 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 509927460 UKOVMUASDKWMBJ-CYBMUJFWSA-N 387.483 0.044 30 10 GCEE N#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 518721610 WTMXYMIEPJMPDA-UHFFFAOYSA-N 383.374 0.901 30 10 GCEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)CCC2=O)cc1 523672920 XZSGVUCSVYLFMH-CQSZACIVSA-N 386.433 0.937 30 10 GCEE CNC(=O)NC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CCO1 529740575 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N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)n1 546196772 RTTOQVXXYCEUNW-UHFFFAOYSA-N 391.478 0.642 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](C4CC4)C3)C2=O)cc1 569958401 HHQPVXYWVMGIHA-ZWKOTPCHSA-N 396.447 0.807 30 10 GCEE CN1CC[C@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 578143457 PDWJNYQXRPEHGE-CYBMUJFWSA-N 398.510 0.251 30 10 GCEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 578630563 KKBOZEGZSJTIMC-UKRRQHHQSA-N 380.470 0.713 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@]2(C)CCOC2)c1 581677683 JVMNGNYNNQIBBR-WFASDCNBSA-N 387.483 0.582 30 10 GCEE CN(C1(C#N)CCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1 582737000 NQIPUKIZZSQJFM-CYBMUJFWSA-N 399.494 0.509 30 10 GCEE C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 590985972 CRBCZAHSIPJOQN-CQSZACIVSA-N 384.436 0.665 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 593582471 NQXDZRHULAZRQO-HUBLWGQQSA-N 377.422 0.619 30 10 GCEE 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GCEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1 848954753 OCBWUXDMGINCNV-DLBZAZTESA-N 393.490 0.911 30 10 GCEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(N2CC[C@@H](O)C2)CC1 850705011 CBJSGSXQLMBDAD-MRXNPFEDSA-N 389.427 0.834 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1=O 861509416 BHRMKKQOQFKGCX-INIZCTEOSA-N 387.436 0.615 30 10 GCEE CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 862049434 SHVABBCFAVUANC-CYBMUJFWSA-N 394.391 0.846 30 10 GCEE CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC[C@@H]21 867326847 PGSLIXQPJZPAQJ-SJORKVTESA-N 382.468 0.154 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(F)c1 874279807 VFYHYMPLFQEFQL-NWDGAFQWSA-N 382.388 0.778 30 10 GCEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 906725248 KFFXCRAEODBVPH-SFHVURJKSA-N 384.480 0.767 30 10 GCEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 922005187 XAQWWKSZNLEBHN-QXSJWSMHSA-N 375.491 0.608 30 10 GCEE 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TYYILLGONYNFNM-GFCCVEGCSA-N 382.291 0.658 30 10 GCEE COc1[nH]c(=N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2365349028 YHMYXNWCFHCFRW-QFDBLCPBSA-N 382.206 0.959 30 10 GCEE C#CCNC(=O)CCN[C@]1(C(=O)O)CSC2(CN(C(=O)OC(C)(C)C)C2)C1 2379458518 FECAZHODPZCJAB-SFHVURJKSA-N 397.497 0.665 30 10 GCEE C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O 4098680 CZQLULNMKQAIQL-WNUXUTQBSA-N 381.425 0.221 30 10 GCEE endogenous,in-man N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc(I)cc1 97999155 QKPHDYJXLVVNML-SNVBAGLBSA-N 377.207 0.777 30 10 GCEE CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1C 272661427 ILQIDXODVJFJGT-UHFFFAOYSA-N 378.454 0.994 30 10 GCEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(=O)N(C)C)CC1 282224862 IUUCZFUKLRCZAZ-UHFFFAOYSA-N 377.493 0.203 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(F)F)[C@@H](CC)C2)C1=O 297969153 VTPAODNNDBCEIY-KBPBESRZSA-N 386.443 0.420 30 10 GCEE CN1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)CC1 301364857 RTVGUSHLJJNTDP-UHFFFAOYSA-N 386.481 0.965 30 10 GCEE CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@H]2CCC[C@H]21 349542737 NOPJAKFTGNJCDH-XFMPKHEZSA-N 375.516 0.706 30 10 GCEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 363782134 JQGGUFXPLCOBEE-CAVOSLQRSA-N 390.465 0.351 30 10 GCEE CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CS(C)(=O)=O 404974191 VIMRZAMTQJRGLH-UHFFFAOYSA-N 389.304 0.754 30 10 GCEE COCCN(C)CCN1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1=O 425327265 ZOAFLEFATJTBKO-SFHVURJKSA-N 384.480 0.885 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)cc1 427892898 NWFAMDOQXIKHRR-ZIAGYGMSSA-N 395.481 0.661 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)CC1 444865971 UCLVUCQFGXMYIY-UHFFFAOYSA-N 399.444 0.221 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 460541826 BDECMLKPIBCHEJ-KGLIPLIRSA-N 385.490 0.412 30 10 GCEE Cc1nn(C)c(N2CCN(C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)c1C#N 472156149 NBZNFSNEODFQPT-OAHLLOKOSA-N 399.451 0.891 30 10 GCEE COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 508222274 ZLZUBCHSDSVIAX-ZDUSSCGKSA-N 394.453 0.436 30 10 GCEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 508829742 VGRGEVFTJDADLO-CQSZACIVSA-N 375.408 0.808 30 10 GCEE COCc1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)ncn1 539171036 QVSUWOWVPBFVME-UHFFFAOYSA-N 380.408 0.782 30 10 GCEE Cc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)NCC#N 552110065 WYTOLELTHDQBTA-UHFFFAOYSA-N 384.421 0.770 30 10 GCEE C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(C(=O)CC#N)CC1 566423202 CIGHRLCNUCCMEE-CVEARBPZSA-N 386.452 0.731 30 10 GCEE CN(C)S(=O)(=O)N1CCCN(CCC(=O)Nc2cccc(C#N)c2)CC1 567431640 ULEOYNLCGSTMNN-UHFFFAOYSA-N 379.486 0.701 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 572995353 YUABAVGYKBNFJY-QGZVFWFLSA-N 399.470 0.970 30 10 GCEE CCOC1CC(N(C)S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 573267066 YXZFDDNLBQPQSG-UHFFFAOYSA-N 387.483 0.676 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](CC(=O)O)C2)CC1 581185020 BDZTUUCFYXUOBH-AWEZNQCLSA-N 385.424 0.315 30 10 GCEE N#CCNC(=O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 592799040 KTIDYDSQFMJRNO-UHFFFAOYSA-N 376.214 0.513 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@]1(O)CCOC1 592872761 DUWAUGFUVZXEJG-FZKQIMNGSA-N 395.481 0.519 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@H]2C)c1 594629257 TYXMEXDNPLHEMO-LALPHHSUSA-N 387.483 0.363 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1S(C)(=O)=O 594853973 BYJNHJDNSRCNBF-SECBINFHSA-N 379.410 0.491 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CO)C2CCC2)c1 595964515 QTULRGKOSVHRRW-OAHLLOKOSA-N 387.483 0.270 30 10 GCEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CC(N)=O)C1 599211319 NVNFNJKRGGCSBN-MRXNPFEDSA-N 382.424 0.995 30 10 GCEE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 599228924 HRNNMIPYVDYFCV-UHFFFAOYSA-N 394.388 0.850 30 10 GCEE N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 600681477 JEUWIFCYHJTRCT-LJQANCHMSA-N 393.447 0.700 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 609640167 YSQMKOIMBOETGN-UHFFFAOYSA-N 391.428 0.603 30 10 GCEE C[C@@H](C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1)n1cnc(C#N)n1 619595711 ANVSHMYAOGTFJC-AWEZNQCLSA-N 381.440 0.666 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)C1=O 620802744 RQTVZKNQCZOLRD-ZJUUUORDSA-N 377.319 0.532 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 641851560 WESWHNASLBATSP-UHFFFAOYSA-N 378.498 0.209 30 10 GCEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 643841386 WDEHFIXYVKNNBE-IBGZPJMESA-N 393.488 0.801 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](OC)[C@H]2CCOC2)cc1 658185331 UQMFVKOTCQILDO-HOCLYGCPSA-N 375.425 0.709 30 10 GCEE C#CCNC(=O)CN1CCN(C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CC1 728530797 TZHZAWPIYYDKTR-UHFFFAOYSA-N 394.479 0.320 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 764261874 SSKVFCIBZZYZPW-OCCSQVGLSA-N 392.437 0.278 30 10 GCEE CC(C)CN1C(=O)C(=NNC2=NC(=O)C(=O)N2)c2cc(Br)ccc21 765594134 OODKVERSZFCDBG-UHFFFAOYSA-N 392.213 0.758 30 10 GCEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCO)[C@H](C)C2)ccc1F 779312220 YAMDSZGWUHMTOT-CYBMUJFWSA-N 385.461 0.429 30 10 GCEE CC(C)[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 780204152 GMSRUHPSUMVYQV-JYJNAYRXSA-N 394.449 0.463 30 10 GCEE C#CCn1ccc(CN(CCOC)CC(=O)NC[C@@H]2COc3ccccc3O2)n1 789326146 ORQRXHZHAWHHMZ-GOSISDBHSA-N 398.463 0.921 30 10 GCEE NC(=NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 789622835 MKNVZEUSUIGWGK-UHFFFAOYSA-N 392.437 0.450 30 10 GCEE CC(C)[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 795967057 SCHAVBVXXQYZFZ-RHSMWYFYSA-N 379.438 0.828 30 10 GCEE C#C[C@@H]1COCCN1C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 838273460 CZNQZVZRYCCZBL-CABCVRRESA-N 379.457 0.753 30 10 GCEE COC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@H](C)O1 846271054 QQNHQEVPTAJZLK-RRQGHBQHSA-N 375.425 0.312 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1cnc(N(C)C)n1C 846728112 FELFTZBNILYUKB-INIZCTEOSA-N 384.440 0.166 30 10 GCEE C#C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC)C1CCOCC1 850690053 ZLIKDZCGCSZOGV-ZDUSSCGKSA-N 393.827 0.931 30 10 GCEE C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@](C#N)(c2ccccn2)C1 852326470 NSCCXFMWBMQAHJ-MDZRGWNJSA-N 390.509 0.973 30 10 GCEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3c2CCC3)c1=O 853445613 UTQIKKHUUMFRHK-UHFFFAOYSA-N 395.488 0.364 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCOCCCN)c1 859634479 BQBHKEMTWRNNOY-PGMHBOJBSA-N 397.501 0.986 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 862194202 GMXPHNXSZHJAGX-ARFHVFGLSA-N 399.447 0.176 30 10 GCEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@]12COCCN1C(=O)COC2 869091042 WEMXAYHIQFITOV-LJQANCHMSA-N 375.400 0.598 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)OC)c1 886337163 FSFSDKWXGFLJOB-KDOFPFPSSA-N 376.434 0.766 30 10 GCEE COCCn1cc(C=NNc2nc(SCc3nnc(COC)o3)n[nH]2)cn1 1084152141 RKXZNNJHTKNNIW-UHFFFAOYSA-N 393.433 0.915 30 10 GCEE N#Cc1cn(C2CN(C(=O)CCc3nnc(-c4ccccc4)o3)C2)c(=O)nc1O 1118911237 QFTUWAKDSTVHQJ-UHFFFAOYSA-N 392.375 0.887 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 1119404827 YGAJZCCKHFKECA-UHFFFAOYSA-N 387.436 0.712 30 10 GCEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(Cc3cscn3)CC2)CC1 1120437222 MPVKGCHYJOKFOZ-UHFFFAOYSA-N 376.482 0.164 30 10 GCEE C#CCN1CCCC[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1CCCO1 1122894770 IJJOIURDLULRQR-GVDBMIGSSA-N 386.500 0.929 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)c3ccnn3C)cc2C1=O 1130103978 SEDZYNWKKXICJC-OAHLLOKOSA-N 382.376 0.846 30 10 GCEE C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 1138972847 SYPSQBVWTVGAPD-UHFFFAOYSA-N 381.429 0.092 30 10 GCEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 1142958673 PVNTXZPDFBMVMQ-DLBZAZTESA-N 395.456 0.794 30 10 GCEE N#Cc1cn(CCC(=O)NCCCNC(=O)c2ccc(F)cc2)c(=O)nc1O 1146907649 VDFKLXMIUZLSDS-UHFFFAOYSA-N 387.371 0.286 30 10 GCEE C#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1154958610 HHVFHNPPSGAOJY-AWEZNQCLSA-N 394.453 0.429 30 10 GCEE 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CC(C)(C)OC(=O)N1C[C@H](O)[C@@](O)(CNCCOc2cccc(C#N)c2)C1 2184205078 LRKDNYBFDLWOIG-QFBILLFUSA-N 377.441 0.869 30 10 GCEE N#Cc1c[nH]cnc1=NS(=O)(=O)c1cc(CO)sc1Br 2186607059 KBHGBXAKVURYGC-UHFFFAOYSA-N 375.229 0.887 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2cccc(C#N)c2)[C@H](O)C1 2197487554 IHVQGLGMYOWDMH-BEFAXECRSA-N 375.425 0.907 30 10 GCEE C#CCN1CC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2204222561 MPDHUFGSCKJKDI-GJZGRUSLSA-N 399.513 0.234 30 10 GCEE CC[C@@H](C#N)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1 2206158304 AGQZUSIABQALHC-UONOGXRCSA-N 381.477 0.592 30 10 GCEE Cn1c(=O)nc(O)c2c1ncn2-c1nc(B2OC(C)(C)C(C)(C)O2)cs1 2235919888 RCOQXJLWIZMABJ-UHFFFAOYSA-N 375.219 0.581 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CS(C)(=O)=O 2267521844 RFJNUPSJXJSSTJ-VIFPVBQESA-N 388.320 0.914 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC3(CCN3)C2)OC1(C)C 2267719758 IKTCCGNYIKCQAC-UHFFFAOYSA-N 384.332 0.925 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC23CNC3)OC1(C)C 2267723219 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C#CC1(N(C)C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2290371067 WYTQURYNDMKYLC-UHFFFAOYSA-N 396.343 0.985 30 10 GCEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2302967878 PCKKZZLPABGWFY-KXBFYZLASA-N 391.445 0.956 30 10 GCEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(C(=O)O)cc1 2330743814 XUYGLPRZTKRVAH-UHFFFAOYSA-N 376.398 0.072 30 10 GCEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2342057224 CMGAWIZQNWNIBO-TZMCWYRMSA-N 382.486 0.894 30 10 GCEE CN[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 2342469730 OUTPINABFUUEDD-YIDVYQOGSA-N 386.514 0.798 30 10 GCEE Cc1cc(C(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(B2OC(C)(C)C(C)(C)O2)s1 2359267572 PESKRAJGLQDVFB-DEQVHRJGSA-N 379.287 0.922 30 10 GCEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]2S(C)(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2368617158 RLXQXUGBPFDZPN-PWSUYJOCSA-N 383.279 0.025 30 10 GCEE C=CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)NC4CCCCC4)C[C@H]3C(=O)N2C1 4277747 DODDEGJVXKGJJK-IKGGRYGDSA-N 390.484 0.727 30 10 GCEE biogenic C=CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 9084131 KYVPIBCAVIELQW-CZUORRHYSA-N 384.454 0.177 30 10 GCEE Cn1c(=O)c2c(ncn2CC(=O)Nc2nc3c(cc2C#N)CCCC3)n(C)c1=O 182659737 MOEWESWLPAGHAI-UHFFFAOYSA-N 393.407 0.218 30 10 GCEE C/N=C(/NC[C@H](O)C1CCCCC1)N1CCN(c2nccn(C)c2=O)CC1 262782842 LONIHFZFHISRCY-INIZCTEOSA-N 376.505 0.419 30 10 GCEE C/N=C(/NC[C@H](O)c1cccc(F)c1)N1CCN(c2nccn(C)c2=O)CC1 262796697 PUOMNAVSSZTWAW-INIZCTEOSA-N 388.447 0.350 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)NCC)C2)c1 268504473 VWQRXSUBJDBXOV-AWEZNQCLSA-N 380.470 0.685 30 10 GCEE Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 273045949 UGNMAIRZYLSUDF-UHFFFAOYSA-N 380.408 0.248 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 282807870 HTHHRCAKFCWSSJ-QWHCGFSZSA-N 385.490 0.854 30 10 GCEE CCNC(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 288788091 DTBCNQUOEGANQI-JFVSRZABSA-N 393.444 0.823 30 10 GCEE N#CCC(=O)N1CCN(C(=O)Cn2c(S)nnc2-c2cccs2)CC1 294732209 XTZBXNIGQCRVIO-UHFFFAOYSA-N 376.467 0.880 30 10 GCEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)cc1C 295026500 SBLHTYREMBXLMC-UHFFFAOYSA-N 378.454 0.166 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3)C2)CC1 297766285 JCWVDIYQTBBEIB-KRWDZBQOSA-N 396.495 0.546 30 10 GCEE CCc1ccncc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349476053 OEOUAIFCOINBIR-UHFFFAOYSA-N 386.499 0.951 30 10 GCEE N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCCc3cccnc32)C1 349605079 UONFDHHCIAASKB-UHFFFAOYSA-N 398.510 0.729 30 10 GCEE N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H]2C2CC2)nc1 349615113 ZNIZXSGDSLDJQT-OAHLLOKOSA-N 398.510 1.289 30 10 GCEE C=CCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 363207576 GZOJPTNEOJANCU-CQSZACIVSA-N 397.497 0.785 30 10 GCEE CCN(C[C@H](C)C#N)C(=O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 365216211 MNKJDWIGBZFOEF-QGZVFWFLSA-N 377.533 0.871 30 10 GCEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N 409791166 JLQILSFEZORTOC-GWCFXTLKSA-N 375.447 0.694 30 10 GCEE CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 411017860 CLBPBGBQTJIAHH-QGZVFWFLSA-N 384.484 0.543 30 10 GCEE CCOC(=O)[C@@H](CC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 411185041 MLZSQYZUJABMPE-INIZCTEOSA-N 393.465 0.980 30 10 GCEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc2nncn12 413023281 AMQRUSQXBVHMKH-UHFFFAOYSA-N 383.437 0.815 30 10 GCEE Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 453703073 VMXPXOCNIYCBNZ-MRXNPFEDSA-N 384.436 0.903 30 10 GCEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cn(C)nc3C(C)C)CC2)c1C#N 484388614 PHOZMMOCTCWSBY-UHFFFAOYSA-N 398.471 0.744 30 10 GCEE C=CCNC(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cn1 507872243 IEHVRPXKYNXOHH-UHFFFAOYSA-N 375.472 0.188 30 10 GCEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 508676939 MPWBROHIQHCWRK-CVEARBPZSA-N 386.408 0.637 30 10 GCEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 509002337 ZJLFKEWOOHHAKK-GJZGRUSLSA-N 377.445 0.380 30 10 GCEE C[C@@H](C#N)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 565231363 LHACMWADUXFKJC-LBPRGKRZSA-N 382.467 0.801 30 10 GCEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCNC3)C2)CC1 579700148 UZMQKIIKDTUYDL-QZTJIDSGSA-N 396.495 0.450 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]([C@H]3CCCN3)C2)cc1 592537414 AQOXGRABFBZWAZ-DOTOQJQBSA-N 376.482 0.827 30 10 GCEE CC(C)(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@]1(O)CCOC1 592876354 YJXJIYOGWXONBN-QGZVFWFLSA-N 381.454 0.130 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)O)cc1 594620981 OFCQSGSHKQNFOC-WDEREUQCSA-N 375.472 0.315 30 10 GCEE COC[C@H]1CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 594630838 BZVICDYMJYSHGX-QWHCGFSZSA-N 387.483 0.629 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C 595126396 WAOMMAMDLQVFIV-GFCCVEGCSA-N 375.477 0.244 30 10 GCEE N#Cc1ccc(S(=O)(=O)NC[C@]2(CO)COCCN2Cc2ccccc2)o1 595358563 FFJLNXSALCOZKK-SFHVURJKSA-N 391.449 0.693 30 10 GCEE N#CCC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC(F)F)C1 595958998 LCPCABJFDWMMEX-UHFFFAOYSA-N 379.410 0.764 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)c1 596705961 QFRNDRBVKWVOQX-UHFFFAOYSA-N 382.428 0.184 30 10 GCEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1CCN(CCC#N)CC1 601496082 KPZNPAFCLOKLGV-ALOPSCKCSA-N 384.484 0.715 30 10 GCEE Cc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1S(=O)(=O)NCC#N 608869118 PUICOXQZFDBMKN-GXTWGEPZSA-N 378.454 0.523 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nc(C)no3)nc2)CC1 653601310 JHDJWMSEKNNAEC-UHFFFAOYSA-N 385.428 0.892 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 669336418 GLRZMYHWLAEMQL-GFCCVEGCSA-N 380.478 0.120 30 10 GCEE N#CCN1CCC(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 704012214 YFLBHWZQSOUEKW-UHFFFAOYSA-N 376.438 0.190 30 10 GCEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCCC1 732494440 GROGLGVMTHENFW-WMZOPIPTSA-N 394.431 0.793 30 10 GCEE CN1CCCC[C@@H]1CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735858283 KQWPLDBDIPUPAR-DVSFIDLUSA-N 389.500 0.531 30 10 GCEE N#C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)CCN1C1CC1 765113873 VDNCSHVFWRHDIF-MRXNPFEDSA-N 386.477 0.883 30 10 GCEE C#CCN(CCCS(=O)(=O)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 766814277 LRHBSFSAPALMRE-OAHLLOKOSA-N 385.507 0.981 30 10 GCEE C#CCN(C(=O)NCc1ccc2c(c1)CCS2(=O)=O)[C@H]1CCS(=O)(=O)C1 774248250 AYIVDIKLVORIPG-HNNXBMFYSA-N 396.490 0.348 30 10 GCEE C#CCN(C(=O)Nc1ccn(C2CCN(C)CC2)n1)[C@@H]1CCS(=O)(=O)C1 786699443 FYGBYOTVKYNSKC-OAHLLOKOSA-N 379.486 0.804 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)Cn2ncc3ccccc3c2=O)n1 788814573 QSPLSJNVINIOAD-UHFFFAOYSA-N 379.420 0.901 30 10 GCEE C#CCN(C(=O)[C@H](CCC)CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 790911946 WGPBCFYJBXUEBD-HUUCEWRRSA-N 377.528 0.876 30 10 GCEE C[C@@H](Cn1ncc2ccccc21)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 793142629 JZSRNMACTRNQTH-ZFWWWQNUSA-N 388.449 0.638 30 10 GCEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC)CC1 802535065 XOEVQPQKPKKYON-OAHLLOKOSA-N 399.517 0.660 30 10 GCEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)CCOCC1 802765267 SBTDIGVXEANIGF-UHFFFAOYSA-N 396.421 0.732 30 10 GCEE COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1 803218364 VKNNFKPDBPKAFZ-UHFFFAOYSA-N 389.389 0.762 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCCO2 812189106 ZSTNPTMDICUWIY-ZDUSSCGKSA-N 385.490 0.808 30 10 GCEE N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)CSc3ccccc32)c1 813980735 KYFVLCYTOZAMQA-UHFFFAOYSA-N 388.430 0.897 30 10 GCEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)C[C@@H](C)O1 816692101 GNWBIENJYOBLEP-JMSVASOKSA-N 397.453 0.204 30 10 GCEE C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 818294316 BOBMUXMXLFWAED-OAHLLOKOSA-N 382.472 0.883 30 10 GCEE C#CCN(CC(=O)N1CC[C@H](O)C(C)(C)C1)CC(=O)N1CC[C@@H](O)C(C)(C)C1 822295890 KAEPKIPYWHPJQU-CALCHBBNSA-N 393.528 0.160 30 10 GCEE C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 829022286 WPHQKKFIHZJTTK-QGZVFWFLSA-N 389.427 0.541 30 10 GCEE C#C[C@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 837706059 PDDOGEZTMHSLRN-HNNXBMFYSA-N 381.454 0.155 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N(CCO)C1CCOCC1 846273302 XLPFGLCZHULCGK-QGZVFWFLSA-N 375.425 0.050 30 10 GCEE C#C[C@@H](CO)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 854766417 RCFQCGCZUWJRSU-LBPRGKRZSA-N 378.372 0.874 30 10 GCEE C[C@H](CC(=O)N1CC[C@@H]2COC[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 856151920 WICWEIGZGNHYQU-MCIONIFRSA-N 377.466 0.999 30 10 GCEE C=CCNC(=O)NC(=O)COC(=O)c1c(Br)nc2n1CCOC2 856957404 CZKKWMMMDSRSCY-UHFFFAOYSA-N 387.190 0.344 30 10 GCEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)c(Cl)n1 857226348 LEZQKWAWKCVNOK-JTQLQIEISA-N 392.868 0.332 30 10 GCEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCc4ccccc4OC3)C2)c(=O)nc1O 858430684 ZTAUSRVATWVAHR-AWEZNQCLSA-N 381.392 0.781 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)cc1 861340428 HSPGZVHWICMLHU-MAUKXSAKSA-N 380.466 0.864 30 10 GCEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN1C1CCCC1)c1cc[nH]n1 863031429 GPOKGDVEFPTQAS-AWEZNQCLSA-N 377.445 0.827 30 10 GCEE N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)CC23CCOCC3)c(F)c1 867745690 UTKOXQDLYSATAO-UHFFFAOYSA-N 385.392 0.896 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cl)cc2CC)CC1 880195925 XVGPAIBZEWTEJA-UHFFFAOYSA-N 385.877 0.915 30 10 GCEE C#CCN(CC(=O)N[C@@H]1COC[C@@H]1C1CC1)CC(=O)N[C@H]1COC[C@H]1C1CC1 891031446 PWVMGMJMVQKWPB-QGFMHUBQSA-N 389.496 0.004 30 10 GCEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)N2CCNCC2)cc1OC 901080443 SNYKARWUFOKGAQ-FNORWQNLSA-N 381.454 0.539 30 10 GCEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c3c(nn2C)CCC3)c(=O)n1CC=C 901420926 UBQJGHHSOVVESE-UHFFFAOYSA-N 395.488 0.123 30 10 GCEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[C@]4(CCCCN4)C3)C2)nc1 926442214 FKWSEAHPRDBUMG-OXJNMPFZSA-N 383.452 0.678 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)CC1 929569814 LAERBFDAVHTTTF-UHFFFAOYSA-N 390.390 0.866 30 10 GCEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@]4(C)CN(C)C[C@]4(C)C3)CC2)o1 931307578 LYEMMKFNRCZNMZ-BGYRXZFFSA-N 386.500 0.777 30 10 GCEE CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 1117194566 CWUDQUMQRROETM-CQSZACIVSA-N 381.429 0.739 30 10 GCEE C#CCSCCNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 1117412619 GDMNLOSAAUFHMA-UHFFFAOYSA-N 385.440 0.405 30 10 GCEE C#C[C@H](NC(=O)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O)[C@H]1CCCO1 1117619244 GYHQBGWHPCVSCJ-XOKHGSTOSA-N 382.420 0.198 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CCOC2(C)C)n1 1118680102 OCFSZMNSLZGTSB-OAHLLOKOSA-N 376.457 0.423 30 10 GCEE C#CC1CCN(c2nnc(C3CCN(S(N)(=O)=O)CC3)n2CC=C)CC1 1121585135 OKJPIMCCRWMPAK-UHFFFAOYSA-N 378.502 0.697 30 10 GCEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCC2(CC1)COC(=O)N2 1122614936 HJONHSKHSPCLTI-AWEZNQCLSA-N 376.461 0.936 30 10 GCEE NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C#CCO)c1 1137272898 MTVVTRDJDHLIIS-IBGZPJMESA-N 393.443 0.363 30 10 GCEE CN(C)C[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1140132817 PSEDISMYJHEKLH-QXGUJMOYSA-N 380.489 0.812 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)cc1 1155128085 PTPKARDMCRBNGV-CYBMUJFWSA-N 390.469 0.759 30 10 GCEE C=CCOC[C@H](NC(=O)c1cc(Cl)sc1S(N)(=O)=O)C(=O)OC 1155778903 BRCUABIQSHAELI-QMMMGPOBSA-N 382.847 0.523 30 10 GCEE 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CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 371420232 ZLGZVZOAAACMQH-SQNIBIBYSA-N 375.517 0.669 30 10 GCEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 372080654 GXNUHKCGUYTJTD-AWEZNQCLSA-N 397.526 0.717 30 10 GCEE C[C@H]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 408131224 DRZGKAYFHUAIFW-AWEZNQCLSA-N 398.510 0.451 30 10 GCEE C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)n1cnc(C#N)n1 409466793 VWYDUWUWYLZKRS-ZDUSSCGKSA-N 388.453 0.812 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 425569371 YWJYJZJAEYNXAN-JSGCOSHPSA-N 398.441 0.763 30 10 GCEE C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ncc(Br)cn1 431642289 BKVXXDJERKDCMU-SCZZXKLOSA-N 376.236 0.359 30 10 GCEE COc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C#N 442813776 UASMNZSDNSAYPM-UHFFFAOYSA-N 380.470 0.261 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@](O)(C(N)=O)C3)CC2=O)cc1Cl 451074013 NJKMFJFFURXQBI-DIFFPNOSSA-N 376.800 0.013 30 10 GCEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(CC(N)=O)C(=O)C2)c1 459724830 KGUYQGRMBSPXAF-INIZCTEOSA-N 385.468 0.568 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 475193293 CAYUKVDCEWJPOD-UHFFFAOYSA-N 383.456 0.934 30 10 GCEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 485770725 BEFZJYNTIAXDCI-HUUCEWRRSA-N 383.426 0.971 30 10 GCEE N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)CC2)c1 506313142 UDCKMLMEBMRDIO-GFCCVEGCSA-N 380.445 0.761 30 10 GCEE Cc1noc(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1 513183068 GUNTUDIVPNQCSQ-UHFFFAOYSA-N 383.343 0.872 30 10 GCEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(N)(=O)=O)cn1 537312698 WYKYINUWVCYWDU-UHFFFAOYSA-N 387.465 0.805 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC2(C)COC2)c1 582014384 QDQMVQKPEZXUKJ-LBPRGKRZSA-N 387.483 0.582 30 10 GCEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)C2=O)cc1 592440255 IYVFLSFVMVJUGZ-PMPSAXMXSA-N 398.419 0.145 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 594844828 AJTMGVMPPIOQJD-TZMCWYRMSA-N 377.422 0.634 30 10 GCEE CCOC(=O)c1c(NC(=O)C(=O)N2CC(CCOC)C2)c(C#N)cn1CC 595092986 CSJWBYMFVHSWPP-UHFFFAOYSA-N 376.413 0.990 30 10 GCEE N#CCNC(=O)CNC(=O)NCCc1ccc(I)cc1 595824883 QCDGHYPDFHYFIE-UHFFFAOYSA-N 386.193 0.773 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(COC)C(=O)OC)cc1 597953515 REEKSSUGGUFBDA-GOSISDBHSA-N 396.465 0.945 30 10 GCEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@@H](O)COc1ccccc1C#N 599339661 HXDLGEGHSAJOBU-WGMGUUHVSA-N 388.420 0.723 30 10 GCEE COc1cc(NC(=O)C(=O)N(C)[C@H]2CCN3CCO[C@H]2C3)c(F)cc1C#N 599985951 UCCRDTXMCZNLMQ-HOCLYGCPSA-N 376.388 0.576 30 10 GCEE COc1ncc(NC(=O)C(=O)N2CCc3c(CC#N)cccc3C2)cc1C(N)=O 600096581 SIRSWWFELRPTAK-UHFFFAOYSA-N 393.403 0.779 30 10 GCEE CN1CCO[C@@H](CS(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 601303078 BZPXHLJJPRHGBV-CQSZACIVSA-N 382.461 0.480 30 10 GCEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(NS(N)(=O)=O)CC1 626035622 VTUKXWZSNAXQOE-CYBMUJFWSA-N 386.543 0.909 30 10 GCEE C=C(C)[C@H](CO)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 649381105 YZBOYIBNLIQKHK-HNNXBMFYSA-N 381.454 0.261 30 10 GCEE CN(C)C(=O)N(C)[C@H]1CCN(CC#CCN2CC[C@H](N(C)C(=O)N(C)C)C2)C1 662012948 QKEKGUBDEJELGS-ROUUACIJSA-N 392.548 0.365 30 10 GCEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)sc1Br 717822396 JALHTYUPCWCKNA-ZETCQYMHSA-N 382.257 0.960 30 10 GCEE C#CCN(Cc1cc(O)n2ncc(C(=O)OCC)c2n1)[C@H]1CCS(=O)(=O)C1 729267035 VPJNWSCVODMAGK-ZDUSSCGKSA-N 392.437 0.234 30 10 GCEE CS(=O)(=O)Nc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732674240 KVCREPLDLHRFBH-INIZCTEOSA-N 377.470 0.940 30 10 GCEE C#CCN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 735040844 WNKJWNZBMKWECJ-CQSZACIVSA-N 386.433 0.234 30 10 GCEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CCN(C(=O)OCC)CC1 742278060 BOFNQRKLQVODNP-CYBMUJFWSA-N 392.499 0.059 30 10 GCEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CCS(N)(=O)=O)CC1 748371762 OJVPJYWCIVNHET-UHFFFAOYSA-N 391.453 0.297 30 10 GCEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(CC#N)CC1 755388723 DGHRBLINIGTNOW-AWEZNQCLSA-N 379.461 0.170 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 758663075 NHWFTFNEWOCQKP-GOSISDBHSA-N 386.452 0.247 30 10 GCEE C#CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 774212623 SNHUXSLHIJWQRI-CQSZACIVSA-N 381.410 0.806 30 10 GCEE Cn1cnc2c1c(=O)n(CC(=O)OCc1ccc(C3(C#N)CC3)cc1)c(=O)n2C 777145639 BSGPEEYWSUVEEY-UHFFFAOYSA-N 393.403 0.732 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cccnc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 783479859 GPDJBVYWWZZSFZ-CYBMUJFWSA-N 379.438 0.456 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CS(N)(=O)=O)cc2)n1 790105876 GDOQLZZUMJTYBJ-UHFFFAOYSA-N 390.465 0.594 30 10 GCEE C=CCOC[C@H](NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)C(=O)OC 797761637 HVXWGRGYKQABAZ-VSGCLNPGSA-N 382.438 0.932 30 10 GCEE CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 810777156 CAQFKIOKXJAROI-LLVKDONJSA-N 376.481 0.371 30 10 GCEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)C[C@@H](C)O1 816695928 NQFNPOBQHVDRTG-TYNCELHUSA-N 397.453 0.204 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c1 816749722 AGWAWVKLZORJDQ-ZWKOTPCHSA-N 391.493 0.533 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC 828546174 FEFLGRPYOFOBKE-GFCCVEGCSA-N 385.490 0.690 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCC[C@H]2CN)n1 842257808 IPVKXYBEXAXVFO-RDJZCZTQSA-N 375.473 0.125 30 10 GCEE N#Cc1ccc(COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 845127038 IXJGWLZLLUTWIL-VDERGJSUSA-N 385.332 0.672 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 845177593 HTFXCTWXQCRWIE-BBWFWOEESA-N 394.497 0.951 30 10 GCEE COC(=O)C1CCN(S(=O)(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 845964859 YNUZVIAXZNKPPJ-MRXNPFEDSA-N 381.454 0.653 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 846281415 MHVRJTBDHMJZDN-PMPSAXMXSA-N 386.408 0.007 30 10 GCEE CNC(=O)[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCO1 847700489 IQBXZYVZSKNWBC-UONOGXRCSA-N 382.461 0.937 30 10 GCEE CCN1C[C@@H](COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)OC1=O 848731915 QLKLXCBONXZQLW-YPMHNXCESA-N 381.410 0.609 30 10 GCEE COC[C@H](C#N)OC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 850159138 BLBRMIICOPNSOA-NWDGAFQWSA-N 388.442 0.350 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1cnn(-c2cc(C)ccn2)c1 850903566 JPKDDNSYQWMQDT-HNNXBMFYSA-N 391.453 0.852 30 10 GCEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3c2CCC3)c1=O 853444641 LLFVAHKVYVMLSD-UHFFFAOYSA-N 399.520 0.738 30 10 GCEE C#CCN=c1nc(N2C[C@H](C)C(O)[C@@H](C)C2)[nH]c(N2C[C@H](C)C(O)[C@@H](C)C2)n1 853833673 KKTCMYOLSRZAAQ-AJNGGQMLSA-N 388.516 0.245 30 10 GCEE CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 855305159 JVCYVVKNWZRGGT-KRWDZBQOSA-N 380.470 0.421 30 10 GCEE C#CC[C@@H](COC)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 863806593 MQVSISSCNRJFFD-JTQLQIEISA-N 375.244 0.865 30 10 GCEE CN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCC1(C)C 867743635 FISQFLWFUHDUCL-UHFFFAOYSA-N 384.484 0.545 30 10 GCEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(O)cc2C(F)(F)F)CC1 900584791 AXASPMZWJGPFCQ-UHFFFAOYSA-N 384.358 0.703 30 10 GCEE CCN1CCN(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C(=O)C1=O 914041979 DBNUAOAIICVGSS-UHFFFAOYSA-N 393.293 0.762 30 10 GCEE C#CCN1CCC(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 921437038 KIMRZIFFIFKNLV-UHFFFAOYSA-N 391.493 0.720 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(CC)C2=O)s1 928865004 SJCRALFDGQHESP-CYBMUJFWSA-N 385.511 0.882 30 10 GCEE C#CCN(CC(=O)N1CCn2cccc2C1)CC(=O)N1CCn2cccc2C1 928958357 ZXDWTJDXROCPDA-UHFFFAOYSA-N 379.464 0.609 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)C1CCN(C)CC1 930441794 QBUUVPHBBRXPFI-MROJDVGCSA-N 381.542 0.738 30 10 GCEE CN(C)CC[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)(C)C 1117316315 APLOSIMEHOLZQG-BSZDNMLHSA-N 393.488 0.112 30 10 GCEE C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CS1(=O)=O 1118694712 IFNGWNPHSJSYJS-WPGHFRTFSA-N 375.450 0.744 30 10 GCEE C=CCn1c(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)COC 1121495927 RYVVAGCCCLGMEW-KRWDZBQOSA-N 384.502 0.782 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CC[C@]3(CC(C(=O)OC)=NO3)C2)n1CC 1121778062 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C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1359297157 HMNDHZJFRDMJEU-CYBMUJFWSA-N 384.440 0.568 30 10 GCEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359474506 SNVJWMQQURBTMH-BFHYXJOUSA-N 383.474 0.191 30 10 GCEE CS(=O)(=O)c1ccc(CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1443539709 WWRNEJUYASJXCM-ISLYRVAYSA-N 391.449 0.665 30 10 GCEE C[C@H](O)[C@](C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1449040327 HGMRTUADDHQNLL-XOBRGWDASA-N 384.436 0.957 30 10 GCEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc2c(C#N)c[nH]c2c1 1453741990 LZIVPVPDNJMCDG-WFASDCNBSA-N 395.375 0.347 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](F)C(N)=O)CC2)c1 1454397255 HHZOQMGKGCDRHA-OAHLLOKOSA-N 381.429 0.274 30 10 GCEE Cc1cc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1[N+](=O)[O-] 1463162992 JQDCEFRIMNSHNB-BLLLJJGKSA-N 379.394 0.679 30 10 GCEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)OC 1464546457 WDNJZPHYVRNROB-ZDUSSCGKSA-N 376.456 0.510 30 10 GCEE C=CCn1ncc2ccc(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc21 1467381716 UVPCDAXPEKCMMG-UHFFFAOYSA-N 395.427 0.585 30 10 GCEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1471083007 MOEDZFNNDLXHJT-FOIQADDNSA-N 384.436 0.877 30 10 GCEE CONC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1478403119 IBEHEKCNGJKEEI-KGLIPLIRSA-N 395.460 0.845 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2nnnn2C2CC2)CC1 1500043211 ITUWKTAUFJOMAD-GJNTUIEKSA-N 396.495 0.858 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCOCC1 1505352736 AKLRARKXWLHZRT-WKSPDDFDSA-N 388.428 0.145 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N[C@@H](C)CC 1507666801 GYDUANDDHASEPS-HOTGVXAUSA-N 384.484 0.997 30 10 GCEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1508086081 KVSMHCDQVCTGLS-UHFFFAOYSA-N 386.431 0.589 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 1515640242 LEGBOOHDORFSPP-CHWSQXEVSA-N 379.486 0.628 30 10 GCEE N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)n2)c(Cl)c1 1519844507 ODFIVHNAJFFIOZ-NSHDSACASA-N 393.812 0.249 30 10 GCEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)Nc1cc(C)on1 1522155006 SSIWJEXFFMDPID-MQYQWHSLSA-N 376.413 0.761 30 10 GCEE C=C(C)Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(C)CCC(=O)NC1 1524318528 FEXPWTVEXYMLKB-LJQANCHMSA-N 376.505 0.790 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1565868597 WJZGSWGVSIRNAG-CABCVRRESA-N 389.456 0.948 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)C1CC1 1589234390 RITTWDIXMOWEFB-HXUWFJFHSA-N 384.484 0.919 30 10 GCEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCNc1ccc(C#N)cn1 1594797871 STRXKWLLDXDTAL-UHFFFAOYSA-N 377.401 0.890 30 10 GCEE C#CCN1CCCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 1618029733 DHHGWFMETOEQNQ-LJQANCHMSA-N 382.468 0.941 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC(=O)NC2=O)c1 1624893684 YTTSXFHGBFWTMK-QTVDBSQPSA-N 392.437 0.491 30 10 GCEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)c1 1625080801 FBLMNFUJMIMQBT-UHFFFAOYSA-N 379.376 0.289 30 10 GCEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)Cc1nnc2n1CCNC2=O 1638203961 AGMVFTPNXZWXIE-UHFFFAOYSA-N 383.412 0.202 30 10 GCEE COC(=O)CCN(CC#N)C(=O)CNS(=O)(=O)c1c(F)cccc1F 1642947544 VTPIFEHQCBPMFD-UHFFFAOYSA-N 375.353 0.158 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)OC)c1 1643793557 CHYLTZRCWIBFIZ-UKRRQHHQSA-N 382.438 0.459 30 10 GCEE CN(CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@@H]1CCS(=O)(=O)C1 1649195066 FOUQFUCZMNXMTB-QGZVFWFLSA-N 387.465 0.860 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2noc3c2COCC3)c1 1654832529 UZLCQYZJNTVMPM-UHFFFAOYSA-N 376.394 0.214 30 10 GCEE Cn1c(=O)c2nc(CN3CCO[C@H](c4ccc(C#N)cc4)C3)[nH]c2n(C)c1=O 1656288952 JGCBLHVQNNCNMQ-AWEZNQCLSA-N 380.408 0.405 30 10 GCEE C#CCOCCN(C)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1666217751 RJIHSSVNEHOJOI-UHFFFAOYSA-N 393.234 0.957 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COC)c2ccc(CC)o2)CC1 1684678555 PLMSZAPSJSZRMF-OAHLLOKOSA-N 398.485 0.324 30 10 GCEE N#CC1(CNC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CCOCC1 1687824271 PIWOADVXHLTSBX-UHFFFAOYSA-N 380.470 0.886 30 10 GCEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690174408 CGVUIFWFXNFPSA-GJZGRUSLSA-N 375.498 0.959 30 10 GCEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1705539859 FRHUWICRDPIUBR-UHFFFAOYSA-N 394.479 0.942 30 10 GCEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N(C)C 1705586524 MYLVRVUMKXENSN-UHFFFAOYSA-N 377.514 0.975 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(C)n1 1705603359 NWFJUACOENVSFB-RDJZCZTQSA-N 383.456 0.642 30 10 GCEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1705897700 ROPNHKAZYBMVIS-CYBMUJFWSA-N 384.506 0.175 30 10 GCEE CC(C)OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1706702408 VCSLOUKXYBOSGX-HNNXBMFYSA-N 376.461 0.944 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H](OCC)C(C)C 1736557627 QYQVRMLXGXCCAH-WCXIOVBPSA-N 377.485 0.825 30 10 GCEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nc1C 1740285914 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C[C@@H]1COCCN1CCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1752419727 FNMBFKISSLHFQK-RDTXWAMCSA-N 386.435 0.898 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1scnc1C 1760520947 FDVMILSOPNDXIP-LBPRGKRZSA-N 389.485 0.933 30 10 GCEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCOCC1 1761217081 FETIHJXYLBFQAN-INIZCTEOSA-N 380.424 0.400 30 10 GCEE CC[C@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1763196764 QCIXSMXVRLUZJX-HNNXBMFYSA-N 397.439 0.742 30 10 GCEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1769548169 GFNDWKBDSCGXDC-FQEVSTJZSA-N 398.467 0.931 30 10 GCEE C[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1849616954 FRTVACROBVPYCI-LBPRGKRZSA-N 390.403 0.680 30 10 GCEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(CC4CCOCC4)C3)CC2=O)ccn1 1853718353 OOKILLJFEGGNPE-LJQANCHMSA-N 397.479 0.739 30 10 GCEE Cc1noc(C)c1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857153834 SGRFHPPQRGEQRN-HNNXBMFYSA-N 395.423 0.515 30 10 GCEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857236702 KVNRDDZFGBRJRD-GOEBONIOSA-N 386.452 0.798 30 10 GCEE N#CC1CC(O)(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2019025420 ATJFMSMGCYUIMO-XOYHFGRZSA-N 396.421 0.445 30 10 GCEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O 2059569877 HTQSOMYJMCIBHC-MNOVXSKESA-N 378.447 0.460 30 10 GCEE COCCN(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2124627651 FYVFACSRZZQWTR-CYBMUJFWSA-N 391.490 0.703 30 10 GCEE C#CC[C@](C)(CO)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2140727522 XEAZVMDRWXYMCS-IRXDYDNUSA-N 388.486 0.207 30 10 GCEE COC1CN(S(=O)(=O)N(C)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2161944816 SEBLMAGZEIANNF-UHFFFAOYSA-N 382.291 0.997 30 10 GCEE CC(C)(C)OC(=O)N1CCN(c2nccc(C#N)c2N)[C@@H]2CS(=O)(=O)C[C@H]21 2163163387 TXOUZWIEZBFKRP-CHWSQXEVSA-N 393.469 0.758 30 10 GCEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(S(=O)(=O)c2cccnc2C#N)C1 2174784484 OJJYJAABKZGDNM-UHFFFAOYSA-N 395.441 0.049 30 10 GCEE C=C1CC(NC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)(C(=O)O)C1 2197766906 VOLCEVRHGSWCOX-GOSISDBHSA-N 384.429 0.929 30 10 GCEE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2233861850 CSPMMYQZIJYJNC-KBXIAJHMSA-N 385.461 0.543 30 10 GCEE CC1(C)OB(c2cccnc2OCC[C@H]2CNCCS2(=O)=O)OC1(C)C 2241081805 ORNZGGHFDCFOGN-ZDUSSCGKSA-N 382.291 0.536 30 10 GCEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCC1 2244931591 QAAHUPIWUGCLEQ-AWEZNQCLSA-N 380.422 0.841 30 10 GCEE C#CCN(CC=C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249442277 JSJRAIIKLXLVJW-INIZCTEOSA-N 394.449 0.905 30 10 GCEE C=C(CS(=O)(=O)N1CC2(C1)CS(=N)(=O)C2)B1OC(C)(C)C(C)(C)O1 2255801983 SQGNCHQVBPTMCF-UHFFFAOYSA-N 376.309 0.866 30 10 GCEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CNOC2)c1B1OC(C)(C)C(C)(C)O1 2267472049 MHGNMBCBEHQCAZ-LLVKDONJSA-N 388.320 0.846 30 10 GCEE C[S@](=O)C1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267715437 XJUOZQSCDLPGPD-DEOSSOPVSA-N 386.304 0.132 30 10 GCEE C#CC1CC(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)(C(=O)O)C1 2281226558 CCPFDQXEBGJEDC-LASWEOPPSA-N 379.413 0.047 30 10 GCEE C#CC1CC(NC(=O)CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)(C(=O)O)C1 2281282431 YMYYOPLGTWRSDX-SHYRYGCCSA-N 379.457 0.958 30 10 GCEE COCCNC(=O)CN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282026649 FXJHBDBLRCJKJN-UHFFFAOYSA-N 383.279 0.277 30 10 GCEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCS(=O)(=O)C1 2282192311 VLWAXHLKNRHKDX-CYBMUJFWSA-N 380.275 0.640 30 10 GCEE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1 2282491883 MSXSIRYXWLYGDL-RYUDHWBXSA-N 384.311 0.138 30 10 GCEE CC[C@@H](CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)OC 2282506480 SOVLVVYTNFLCLY-LBPRGKRZSA-N 387.311 0.731 30 10 GCEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2282563021 ZEXBLPTYLNDKRZ-WPRPVWTQSA-N 377.172 0.761 30 10 GCEE Cn1cc(C(=O)N=[S@]2(=O)CC[C@@H](CN)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282591298 OITBJAGOMQGIGN-LJZMDLFKSA-N 382.295 0.306 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC3CN([C@@H]4CCOC4)C3)ns2)OC1(C)C 2282602486 SVDCZFVQZRQTJD-GFCCVEGCSA-N 379.291 0.645 30 10 GCEE Cc1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)co1 2282838596 RBQCMXIMWZFPSF-UHFFFAOYSA-N 382.251 0.494 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3COCCN3)cc2)OC1(C)C 2282867916 GBHLFQLKVBKAQG-CQSZACIVSA-N 382.291 0.253 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@H](OCC(=O)O)C2)OC1(C)C 2284387314 NQKRFBPRFJBSPF-JTQLQIEISA-N 382.247 0.758 30 10 GCEE Cc1c(C(=O)N2CSC[C@H]2C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2284424990 PYMQRNJGFRONLY-JTQLQIEISA-N 381.263 0.627 30 10 GCEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C(=O)O 2284455704 LGLREAHSWDOJAW-LBPRGKRZSA-N 380.275 0.888 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2COC[C@H]1C2 2286950800 VLWLILRXZAOZDF-NWDGAFQWSA-N 383.279 0.129 30 10 GCEE C#CCCN(CC(=O)O)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299758924 WCFNSHUYGFQKAY-UHFFFAOYSA-N 392.433 0.803 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2([C@@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2342049148 RHFDKGMUWLDXBJ-GLJUWKHASA-N 385.482 0.811 30 10 GCEE N#C[C@@H]1CN(C2(C(=O)O)CCS(=O)(=O)CC2)CCN1Cc1ccccc1 2347058625 YULMMSGYQNCAEK-MRXNPFEDSA-N 377.466 0.728 30 10 GCEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)OC1(C)C 2359279304 AAEOOVWBQXZCSY-XYJRDEOASA-N 380.275 0.399 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCC3(CNC3)OC2)OC1(C)C 2362415879 INAOCFGNKDQDAX-NSHDSACASA-N 379.291 0.693 30 10 GCEE Cn1cc(C#C[C@]2(OCCC(=O)O)COC[C@H]2NC(=O)OC(C)(C)C)cn1 2366103098 VOUZAKMHCHPGPF-KDOFPFPSSA-N 379.413 0.925 30 10 GCEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2368818756 YWVGVEMVTOSHCL-GVRJEKJASA-N 376.457 0.962 30 10 GCEE C#CCNC(=O)CN[C@@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2376728402 JLOQCDLUQHQTJS-RTBURBONSA-N 379.457 0.960 30 10 GCEE C#CC(CO)(CO)N[C@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2379606142 RIINXIKNJGORRJ-IFXJQAMLSA-N 384.473 0.861 30 10 GCEE C[C@@H]1O[C@@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CCN(C)CC[C@@H](OC2=O)C1=O 4731355 CZQLULNMKQAIQL-VNJUDGOKSA-N 381.425 0.221 30 10 GCEE biogenic C#CCN1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC1 177252075 WMIPTBVVFHMMDJ-UHFFFAOYSA-N 392.887 0.996 30 10 GCEE C/N=C(/NCCc1cccc(OC)n1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261810905 SMDSNOYPQYNMGC-IBGZPJMESA-N 388.472 0.518 30 10 GCEE C/N=C(/NCCN1CCN(C(=O)C2CCCCC2)CC1)N[C@@H]1CCC(=O)NC1 262816513 WXVVAMBOWBQRCF-QGZVFWFLSA-N 392.548 0.155 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 291698945 YDBGQORUKNIMLM-HNNXBMFYSA-N 379.486 0.340 30 10 GCEE CN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O 330670324 BWCHUVIOHVZMJS-ZDUSSCGKSA-N 382.467 0.290 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349478565 HHLSFTVDJPGMQE-IUODEOHRSA-N 399.494 0.365 30 10 GCEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2OCC(=O)N[C@H]2C1 377220952 BTPCYEGZQCBNOC-ZOBUZTSGSA-N 386.452 0.920 30 10 GCEE C[C@H](C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)n1cnc(C#N)n1 409455874 IXYHZEQLLXKIRZ-CYBMUJFWSA-N 386.387 0.600 30 10 GCEE Cc1occc1C(=O)NC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410201481 XPMLASIOMKDLKN-AWEZNQCLSA-N 382.442 0.251 30 10 GCEE C=CCN(CCOC)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 410902883 AIPBCZKHFLMRCY-MRXNPFEDSA-N 394.516 0.239 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 412396081 BAEXGXAKVCLAEV-CABCVRRESA-N 397.478 0.015 30 10 GCEE N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3CC[C@H](C(=O)O)C3)CC2)nc1 420561954 OQCPBCYMCQSCHR-NFOMZHRRSA-N 386.408 0.693 30 10 GCEE CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489690500 WMRHLHXYDAFUOD-UHFFFAOYSA-N 394.453 0.342 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 504003629 FAFXAXDTLSVTTQ-UHFFFAOYSA-N 398.463 0.693 30 10 GCEE CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2ncccc2C#N)CC1 521905140 DSMNJEZJQDOWNR-UHFFFAOYSA-N 380.474 0.113 30 10 GCEE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1ccc(C#N)c(F)c1 528481676 ROSCBWTZLMEDGF-KRWDZBQOSA-N 383.445 0.591 30 10 GCEE Cc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 530267296 PCJFLNADHYBWOZ-CYBMUJFWSA-N 393.403 0.565 30 10 GCEE CC1(C)C(=O)Nc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc21 530271125 FEBDVZHMNKRVLK-UHFFFAOYSA-N 379.376 0.747 30 10 GCEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)n1 541664990 GYTIRJBOFSPFPE-CYBMUJFWSA-N 398.398 0.365 30 10 GCEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1 564217152 BFSGMPFNOMMAFP-ZDUSSCGKSA-N 390.465 0.617 30 10 GCEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(C(=O)CC#N)CC1 568527034 JRFNFYWMDYRNFH-MRXNPFEDSA-N 385.468 0.805 30 10 GCEE N#CCc1ccc(CS(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 569114225 ARJSHZYYJLMINP-KRWDZBQOSA-N 377.466 0.906 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)CC[C@@H](C(=O)OCC)[C@H]2C)C1=O 572161422 JFIHUENJOJAJND-YNEHKIRRSA-N 379.413 0.542 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCCNc2ccc(N=c3cc[nH]cc3)nn2)cc1 585421766 FXFZWIIEEICRRI-UHFFFAOYSA-N 395.448 1.299 30 10 GCEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)CC1 593099892 KXDNEXXAPZFQOZ-MWOFGCRPSA-N 390.484 0.740 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCC2 593543642 OBPLLUZWHSMJAT-SNVBAGLBSA-N 375.410 0.922 30 10 GCEE Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccc(C#N)cc3)CCC2)n(C)c1=O 594137467 AQVWGGVOCIWELI-UHFFFAOYSA-N 392.419 0.501 30 10 GCEE Cc1cn2c(n1)CN(S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1)CC2 594630815 ZSYKLXMXBBKXLN-UHFFFAOYSA-N 395.466 0.198 30 10 GCEE CN1CC(=O)N(CCN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 595736796 YDPXYROGFLUGRT-UHFFFAOYSA-N 393.451 0.964 30 10 GCEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C)C2 595961013 HJGARHCRXFQOIV-NRXISQOPSA-N 391.515 0.135 30 10 GCEE CCn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595964006 DHRSYKAUYJECBQ-UHFFFAOYSA-N 375.476 0.210 30 10 GCEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)CC#N)CC2)cc1[N+](=O)[O-] 596656365 BOXVQLKPQGOSRM-LBPRGKRZSA-N 396.425 0.986 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)nc3)CC2)cc1 596681366 UBLUAUSSIACQEC-UHFFFAOYSA-N 386.433 0.734 30 10 GCEE CC(C)(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC2(CCCO2)C1 600768143 XKNVAYCCZUKIKG-CYBMUJFWSA-N 393.531 0.429 30 10 GCEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](CN5)[C@H]4C3)C2)nc1 600800340 JKDYZDGPGLTTIB-YYWYGQEZSA-N 395.463 0.389 30 10 GCEE N#C[C@]1(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CCSC1 609474600 WQNIKTMJKOLNNN-CQSZACIVSA-N 376.423 0.227 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 618309170 COQQLDZYOVSQIZ-GXTWGEPZSA-N 386.495 0.846 30 10 GCEE C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 627434416 GZBZWKUCLZWFHF-HOTGVXAUSA-N 378.517 0.812 30 10 GCEE C=C(C)COc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1 628031727 RCJSBLMERXRFGN-UHFFFAOYSA-N 396.469 0.187 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)CC1 641263511 NJFVHRSWBIOOIB-OAHLLOKOSA-N 395.481 0.076 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2C1=O 732153155 JRSMZMUWWYWQDH-VLGSPTGOSA-N 394.387 0.725 30 10 GCEE N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 741157817 CZCFVTKEIFNSPB-CYBMUJFWSA-N 381.429 0.957 30 10 GCEE N#Cc1cccc(CC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 750432391 CPXVBEKJKTYIKL-UHFFFAOYSA-N 399.428 0.881 30 10 GCEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C[C@@H]1NC(=O)NC1=O 751575717 AOKZGLHZBQSCMH-NEPJUHHUSA-N 388.380 0.472 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 758760312 OLWWADUPVHTSKF-BFHYXJOUSA-N 393.444 0.982 30 10 GCEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(CCO)CCOC1 762577455 YQEZWVSMOUWRPB-QGZVFWFLSA-N 381.454 0.021 30 10 GCEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CC(=O)N(C)C1 764733318 UJRFMXHKBFDLSQ-OCCSQVGLSA-N 393.465 0.914 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)c(F)c1 802559291 KNXSEGBZAPDUED-UHFFFAOYSA-N 385.392 0.379 30 10 GCEE C#C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1 812891492 IPZAJITUEPXQPR-HNNXBMFYSA-N 380.401 0.907 30 10 GCEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814399521 YNWRQDQUNSYGAO-CYBMUJFWSA-N 388.490 0.787 30 10 GCEE COc1cccc(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)c1 814721522 IBTAKHFNLLGUIU-UHFFFAOYSA-N 382.471 0.867 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(C#C)c2)n1 817843543 ZSNTVSSKZVYFBL-UHFFFAOYSA-N 378.432 0.789 30 10 GCEE O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CCN(O)C1=O 820174275 ITDYSZJDESEKLX-GFCCVEGCSA-N 387.483 0.572 30 10 GCEE C#CCN(CC(=O)N1Cc2cccnc2C1)CC(=O)N1Cc2cccnc2C1 822652126 CMVKNHITJODQQJ-UHFFFAOYSA-N 375.432 0.796 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](OC)(C(=O)OC)C2)c1 827150495 MDIDRLCMYUYTSG-GOSISDBHSA-N 379.434 0.888 30 10 GCEE N#CCNC(=O)COC(=O)C1CN(c2ccc(Br)cc2C#N)C1 829447834 PYFLXWZOOTUBTM-UHFFFAOYSA-N 377.198 0.940 30 10 GCEE C#C[C@H]1COCCN1C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 838272134 SDKQLCZCLFZQDO-NSHDSACASA-N 387.255 0.879 30 10 GCEE Cc1nc([C@H]2CCCN(C(=O)C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2)n[nH]1 846253742 LCJNHVBIQZBNEZ-IRXDYDNUSA-N 396.451 0.883 30 10 GCEE Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 846726036 ZWVGTWJLKCWZRI-SFHVURJKSA-N 383.452 0.759 30 10 GCEE CON(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 848943220 QFGLMNYERANJMH-AWEZNQCLSA-N 389.455 0.172 30 10 GCEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncccc1Br 849371116 JWWIUSFYEOAJAJ-JTQLQIEISA-N 393.284 0.655 30 10 GCEE COC(=O)N(C)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 855887357 XMSYDPYPLBKREC-LBPRGKRZSA-N 382.442 0.382 30 10 GCEE C#CC[C@H](COC)NC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 859027996 JWHNNYCXNLPJER-FGTMMUONSA-N 378.517 0.856 30 10 GCEE CNC(=O)NC[C@H]1CN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CCO1 859490918 OKOPJELRXIQTLV-GJZGRUSLSA-N 394.435 0.853 30 10 GCEE N#Cc1ccc(C2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCOCC2)cc1 863053129 PYAVNDVVYMNXOO-UHFFFAOYSA-N 378.392 0.765 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 875043092 DMSUGZSKDDBJKT-YQQAZPJKSA-N 388.468 0.466 30 10 GCEE C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 875380828 LRZSOVOIPVTZSP-HOTGVXAUSA-N 375.473 0.358 30 10 GCEE 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30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](C(=O)O)[C@H]2CCCO2)OC1(C)C 2284481227 QBWNFJHMXRSMFG-GHMZBOCLSA-N 382.247 0.804 30 10 GCEE CC1(C)OB(c2scnc2C(=O)N(CC(=O)O)[C@@H]2CCOC2)OC1(C)C 2288222216 RFLCROFIDBKBPH-SNVBAGLBSA-N 382.247 0.758 30 10 GCEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2331565649 FZCIDILXYJHWLF-UHFFFAOYSA-N 381.414 0.607 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NS(=O)(=O)N3CC[C@H](C#N)C3)CO[C@H]1C2 2334241734 OUZBYKKHCVXMBV-LMOYCYGVSA-N 386.474 0.491 30 10 GCEE CC1(C)OB(c2sncc2C(=O)NCc2nnc(CO)s2)OC1(C)C 2337396661 QOHHUJDXJVSGDO-UHFFFAOYSA-N 382.276 0.716 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2[C@@H]3C[C@H]2CN3)OC1(C)C 2359274248 MEVHBDAZRXGQTM-GUTXKFCHSA-N 378.303 0.872 30 10 GCEE C[C@@H](O)CCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2361276000 OAVAFCGFRRICRC-GFCCVEGCSA-N 387.311 0.501 30 10 GCEE CC(C)n1nnnc1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362572316 YWUNWPCGJVOVEK-UHFFFAOYSA-N 378.267 0.940 30 10 GCEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)C(F)(F)F)n1C 2362576924 PHZPFCDAPDMDDX-VIFPVBQESA-N 377.172 0.681 30 10 GCEE CC1(C)OB(c2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)c(C#N)c2)OC1(C)C 2364938859 HFJWVLAYONACPB-HUUCEWRRSA-N 378.259 0.427 30 10 GCEE CN1CCN(C(=O)[C@H]2COC3(CNC(=O)OC(C)(C)C)CC2C3)[C@@H](C#N)C1 2368660715 AHYNGAPQCZXSIN-LPRCSBTHSA-N 378.473 0.972 30 10 GCEE Cc1scc(C(=O)N2C[C@@H](O)CC23CNC3)c1B1OC(C)(C)C(C)(C)O1 2369514995 IEXGDSNSYWXVHV-LBPRGKRZSA-N 378.303 0.905 30 10 GCEE C#CCN1CCN([C@](C)(C(=O)O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 2372559025 OHUKIQXALTZCKI-BEFAXECRSA-N 381.473 0.716 30 10 GCEE C#CCNC(=O)CCN[C@@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2379417950 SJYOVDVTUVRXOI-PJHJGJPPSA-N 379.457 0.862 30 10 GCEE C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCCC(C)C)C(=O)[C@@]1(CO)CO1 3924673 ZPLVYYNMRMBNGE-TWOQFEAHSA-N 398.500 0.461 30 10 GCEE biogenic,in-vitro Cn1cc(/C=C/C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c(=O)n(C)c1=O 10938664 PAXNCJXOPKNHOC-VMPITWQZSA-N 382.376 0.345 30 10 GCEE 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CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837367 UHYISHPXXFTFEK-VXGBXAGGSA-N 384.311 0.971 30 10 GCEE C[C@H]1C[C@@H](CN)CN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282840984 RDDVFBADSVZTJC-RYUDHWBXSA-N 384.311 0.077 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@@](C)(O)C2)n1 2282842726 CAZWCJPTDZMSCC-BDJLRTHQSA-N 385.295 0.301 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(F)F)C1 2282854125 NPJXGZZMZIQCHW-JTQLQIEISA-N 391.249 0.995 30 10 GCEE Cc1cc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)sn1 2282854469 RVSTWEDUXVQJBM-UHFFFAOYSA-N 398.319 0.963 30 10 GCEE C[C@@H]1CC[C@H](N)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282862076 YGUVMIICEOEDAH-OCCSQVGLSA-N 381.307 0.881 30 10 GCEE C=C(CS(=O)(=O)N(CC)[C@H]1COC[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284397487 MLFWYMHYIZSMDT-STQMWFEESA-N 389.279 0.925 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)CC(=O)O 2284400116 RUJIGYXPMHGTAN-UHFFFAOYSA-N 387.267 0.251 30 10 GCEE CON(CC(=O)O)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284415513 XYGPOFDKAKYRPZ-UHFFFAOYSA-N 385.247 0.764 30 10 GCEE C#CCN1CC[C@H](NC(=O)[C@@H]2CCCN2C2CN(C(=O)OC(C)(C)C)C2)C1 2287351393 SAUNDLSOIOXNHF-RDJZCZTQSA-N 376.501 0.894 30 10 GCEE C=CCCC1(C(=O)N2CC3(CNC(=O)CO3)C2)CN(C(=O)OC(C)(C)C)C1 2289812196 ZGHKEBBDJWRKKF-UHFFFAOYSA-N 379.457 0.917 30 10 GCEE C=C[C@@]1(CO)COCCN1C(=O)[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2296922294 VUDYKKOVQGXGBR-XMDUPGNXSA-N 382.457 0.644 30 10 GCEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1ccc(C(=O)O)cc1 2330798716 LADMCGYYOYPSLM-UHFFFAOYSA-N 377.426 0.969 30 10 GCEE CC1(C)OB(c2sccc2C(=O)N2C[C@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2336512286 FUQCZMVGCZRKDK-JQWIXIFHSA-N 383.300 0.916 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CS(=O)(=O)[C@H]4C3)cs2)OC1(C)C 2336512812 MUVQNPVWKWABHY-RYUDHWBXSA-N 383.300 0.916 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CC[C@@H]2S(C)(=O)=O)OC1(C)C 2342721430 OVPGLKZJQQEIOD-QWRGUYRKSA-N 386.304 0.748 30 10 GCEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCN(C)C[C@H]1C#N 2358196499 KONJCNBQSQNUCR-KBUPBQIOSA-N 382.461 0.302 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC(F)(F)C[C@@H]1CC#N 2358561828 BWHFWSMICOTMPY-UMSGYPCISA-N 389.399 0.867 30 10 GCEE CNS(=O)(=O)[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)n2)C1 2362089370 VENOUZACBBOGBA-CQSZACIVSA-N 381.307 0.817 30 10 GCEE C[C@H]1SC[C@H](C(=O)O)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362447904 BXTCJKXTZIXRDI-NXEZZACHSA-N 381.263 0.708 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)OC1(C)C 2362508932 PMXPZYUSHKIOEY-WXHSDQCUSA-N 380.275 0.522 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N(CC(=O)O)[C@H]2CCOC2)OC1(C)C 2362572915 ANDVARVXWCRDMH-JTQLQIEISA-N 382.247 0.758 30 10 GCEE CN[C@H](C#Cc1ccc(OC)nc1)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)OC 2380230035 NWBJRZIBGZSGOV-BFYDXBDKSA-N 379.457 0.930 30 10 GCEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 22818796 JEBSEBXPWVFGAA-LJQANCHMSA-N 399.539 0.644 30 10 GCEE COC(=O)c1cccc2c3c([nH]c12)CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C3 25577997 GLVHRDGPLYZNKT-UHFFFAOYSA-N 393.403 0.786 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)CC1 25996633 DUNNLFRADBUBAN-UHFFFAOYSA-N 376.457 0.868 30 10 GCEE C#CCNC(=O)[C@@H](C)OC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 28878227 JQBGPXBTOCSLHO-CQSZACIVSA-N 396.465 0.777 30 10 GCEE C#CCN(C(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCS(=O)(=O)C1 104310133 PFTACZLYPBKXAF-GFCCVEGCSA-N 387.255 0.260 30 10 GCEE C#CCOc1cccc(NC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)c1 108614118 RRMYRSZTKUHHIG-UHFFFAOYSA-N 381.436 0.715 30 10 GCEE CN(CCN1CCOCC1)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 171858258 WUWLZEXKERBBGA-UHFFFAOYSA-N 389.475 0.610 30 10 GCEE O=C(CNC(=O)N1CCc2ccccc2C1)NCCN/C(O)=C1/N=CC=CC1=O 265339295 HTVMSLASKLJBJS-HNENSFHCSA-N 397.435 0.397 30 10 GCEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1F 274527203 QHKYEDVQOKFCQO-AWEZNQCLSA-N 391.446 0.890 30 10 GCEE Cn1cncc1[C@H]1[C@H](/N=C(/O)N2C[C@H](F)C[C@@H]2CO)CCC(=O)N1C1CC1 329359074 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N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)n1 512952951 OWWYIGGTDMJZIJ-UHFFFAOYSA-N 398.398 0.950 30 10 GCEE C=CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 513631026 WHQGRDMPJLATAQ-UHFFFAOYSA-N 379.486 0.916 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)c1 517960795 JYOWXYUHEZKWFG-SLEUVZQESA-N 387.483 0.459 30 10 GCEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 545462744 HSQNLKQMILSVIR-HNNXBMFYSA-N 391.497 0.664 30 10 GCEE Cc1c(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cccc1-n1cnnn1 555943562 GDLHLFFQYVGHNC-UHFFFAOYSA-N 391.391 0.976 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(CC)cc2)CC1 557256332 YGAOFRNAFXYGGP-UHFFFAOYSA-N 386.496 0.354 30 10 GCEE N#CC1(CNC(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 559309473 INLATUMBFHQMRI-UHFFFAOYSA-N 380.401 0.724 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 562637396 WKUDEAOIXLTORG-HZPDHXFCSA-N 398.506 0.943 30 10 GCEE C=C(C)Cn1c(-c2scnc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 575180170 GTQHMBLDENTEPK-LBPRGKRZSA-N 387.469 0.433 30 10 GCEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3(C#N)CCCC3)n2)cc1 593671303 INDWXWGHTBOEHB-UHFFFAOYSA-N 377.408 1.337 30 10 GCEE Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)nn1CCC#N 595104951 AXKOYZLLXSAPQN-AWEZNQCLSA-N 380.408 0.748 30 10 GCEE CCC[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(N)(=O)=O 597037240 DCUZFYFQVHPQQB-UONOGXRCSA-N 396.494 0.855 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](CC(N)=O)C3)CC2=O)cc1Cl 600678843 VXYLTTDRSFWSJZ-OCCSQVGLSA-N 390.827 0.667 30 10 GCEE C[C@@H]1C[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 600767621 RUBAAHFDSAXRHR-IOASZLSFSA-N 399.494 0.676 30 10 GCEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 601292516 PMRXGQNTQFKSMC-MSOLQXFVSA-N 388.493 0.962 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 601294001 KHAIECRBMIFINO-UHFFFAOYSA-N 380.445 0.614 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2CN2CCOCC2)CC1 607044002 AFHTYVRKRANQAD-UHFFFAOYSA-N 386.496 0.579 30 10 GCEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCO[C@H](C#N)C1 609268206 NEPWRDYJVIIXRB-MNOVXSKESA-N 382.398 0.790 30 10 GCEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)n1 611889988 ZVXPDGJCRVIHQB-BETUJISGSA-N 389.799 0.290 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)n1 612819435 KBUOGTOHWKOZDL-UHFFFAOYSA-N 375.392 0.407 30 10 GCEE N#Cc1ccc(CS(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(F)c1 616412825 RQDFNSXUHXGUAP-KRWDZBQOSA-N 394.472 0.941 30 10 GCEE C=CCOCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 668923946 IGWSSZRFARWWIU-MRXNPFEDSA-N 375.473 0.833 30 10 GCEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 729335005 GFGYVDUDWKRTNK-WMZOPIPTSA-N 387.461 0.859 30 10 GCEE Cc1cc(N(CCC#N)C(=O)COC(=O)CN2CC(=O)NC2=O)ccc1Cl 731912665 XKHICOTYIVHVHH-UHFFFAOYSA-N 392.799 0.990 30 10 GCEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)C1 734294021 XZEGMJRCMITZHH-CQSZACIVSA-N 399.494 0.733 30 10 GCEE C[C@H](CC(=O)NCCc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 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CC(C)(C)OC(=O)N1CCC[C@@H]1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 800121900 OCUPTEOWIPLUBA-KGLIPLIRSA-N 388.490 0.835 30 10 GCEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(OCC#N)c1 800660685 LEUWEAQRRKJMKG-IUODEOHRSA-N 394.453 0.362 30 10 GCEE N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 805061765 MPPHJLSEXYBKAT-HOTGVXAUSA-N 390.440 0.035 30 10 GCEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)Cc2ccc(OCC#N)cc2)nn1 811179155 KAHGHGOGPYUGRI-HZPDHXFCSA-N 386.364 0.693 30 10 GCEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CSC1 824893897 BPNAKHFPIOQONB-ZDUSSCGKSA-N 388.511 0.598 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 834536479 DJASTZDYTFVHFV-UONOGXRCSA-N 377.466 0.773 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 850936970 LOFYIVPRZWGHAW-INIZCTEOSA-N 387.502 0.110 30 10 GCEE C#CCONC(=O)C[C@@]1(C(=O)NOCC#C)CCN(C(=O)OC(C)(C)C)C1 855606251 FFJJSMDJKJKQDO-SFHVURJKSA-N 379.413 0.366 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 856087176 PMGYHZJIQWCVML-OAHLLOKOSA-N 392.481 0.426 30 10 GCEE C#CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CCOC)[C@H]1CCS(=O)(=O)C1 858951489 XUGVZSPNSQONHO-KKUMJFAQSA-N 382.486 0.791 30 10 GCEE C#CC[C@H](COC)NC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 859031383 HLYKYYPIAGPDPH-DGCLKSJQSA-N 379.438 0.978 30 10 GCEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@H](C#N)C1 859891759 CZHNJDWRBCOWIZ-ZJEYORIJSA-N 391.424 0.678 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860005655 ZFAWNZCIUYWUSX-QSSYGMBASA-N 383.408 0.106 30 10 GCEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC=C(C(=O)OCC)C2)cc1 862869985 INEYMFOUUHFTIS-HNNXBMFYSA-N 376.434 0.980 30 10 GCEE CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccsc4C#N)CC3)CC[C@@H]21 867800135 UWONYKLXIFNEFS-CABCVRRESA-N 387.509 0.821 30 10 GCEE C#CC[C@H]1CCN(C(=O)[C@]2(C(=O)N3CC[C@@H](CC#C)C3)C[C@@H]2S(C)(=O)=O)C1 869394162 RVNMXXLUVLTBGH-CLWJZODNSA-N 390.505 0.533 30 10 GCEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)OCC 870027655 XXVSGRKXWFWMJG-YLXLXVFQSA-N 380.828 0.984 30 10 GCEE C[C@]12CNC[C@H]1CN(C(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)C2 872190455 TVMRFHPFSADRRR-WAOWUJCRSA-N 381.480 0.291 30 10 GCEE CN1CCC(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 872352629 AKKWHAPYWVIXOV-UHFFFAOYSA-N 380.518 0.757 30 10 GCEE C#CCn1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)cn1 882349791 YKCIEWQIOIFYOD-XMMPIXPASA-N 381.483 0.854 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)CC1 896133744 JOVNRFSTAAXRIP-HZPDHXFCSA-N 384.502 0.129 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)C1CCN(C)CC1 931267622 UHLYUZJNHXUTON-SYNHAJSKSA-N 377.485 0.385 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H]1CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 931890508 NAYMIPRQDIECRH-MRXNPFEDSA-N 392.500 0.668 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)c1 934346894 ZSDBWAWGBQCNLG-QGZVFWFLSA-N 392.477 0.851 30 10 GCEE 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GCEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCO[C@@H]2C)cc1 485178213 NFNUEVSUNLGMML-CJNGLKHVSA-N 375.425 0.539 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2CC)CC1 486694070 HVVFKLDKJRKJAY-UHFFFAOYSA-N 399.469 0.237 30 10 GCEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccccn4)CCC3)C2)c(=O)nc1O 527930858 MJOMEETVQVLYII-UHFFFAOYSA-N 380.408 0.904 30 10 GCEE Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C(N)=O 546185315 BLXJZVIGZYBYFG-UHFFFAOYSA-N 385.449 0.872 30 10 GCEE Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(C(=O)CC#N)CC1 563361833 RZXJTKOPBGCAOK-UHFFFAOYSA-N 391.859 0.761 30 10 GCEE CCc1ccccc1N=c1nc(N)nc(CN2CCN(C(=O)CC#N)CC2)[nH]1 574819956 KOTVJUMFBBBWQJ-UHFFFAOYSA-N 380.456 0.740 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1C 576528714 IEPSVAWCUAWLMK-AVGNSLFASA-N 387.483 0.580 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)n1 577168238 MSXMFVMXRPKWCD-CGTJXYLNSA-N 395.463 0.676 30 10 GCEE N#CCc1ccc(CS(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 579105863 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C[C@@]12CNC[C@]1(C)CN(C(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)C2 600796137 FIKYQLVGFPRZOG-OYRHEFFESA-N 381.480 0.665 30 10 GCEE CC(=O)OC[C@@H]1O[C@H](CS)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 606512801 YDQZNHCDZQHFBJ-QRTUWBSPSA-N 378.399 0.042 30 10 GCEE N#Cc1c(Cl)cccc1S(=O)(=O)NCCCN1CCCS1(=O)=O 611016789 UTWPURAMJBPKHZ-UHFFFAOYSA-N 377.875 0.916 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1 619945956 LUTIPPIYMMCCAP-TZIWHRDSSA-N 389.496 0.837 30 10 GCEE C=C(C)Cn1c(N2CCO[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 624973529 HCBANWBXXJYLMA-BEFAXECRSA-N 393.488 0.975 30 10 GCEE C=CCn1c(COCCOC)nnc1N1CCN(c2cc(OC)ncn2)CC1 634339508 IOSYHSOZWSFLAC-UHFFFAOYSA-N 389.460 0.752 30 10 GCEE C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 636967299 AMBYJDSPGMLQAX-IAGOWNOFSA-N 388.468 0.446 30 10 GCEE C=CC[C@]1(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)CCCN1 662569178 NRJALWRXZAYANQ-QGZVFWFLSA-N 380.470 0.348 30 10 GCEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 669333671 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30 10 GCEE C=C1[C@H](C(=O)NCC[C@H](O)C(F)(F)F)[C@H]1C(=O)NCC[C@H](O)C(F)(F)F 900759474 XORIUTYBMHZQGF-XKNYDFJKSA-N 392.296 0.648 30 10 GCEE C=CCn1c(-c2cnsn2)nnc1N1CCC(N2CCCS2(=O)=O)CC1 908719566 BXLKKSDUKBDYPP-UHFFFAOYSA-N 395.514 0.987 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(OC)cccc2C(F)F)CC1 913788989 TYFVSDKOGFCBLK-UHFFFAOYSA-N 387.408 0.858 30 10 GCEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 918122326 XNIKFRROVSVDFO-MRXNPFEDSA-N 383.495 0.442 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 923596198 QCYPWXDDVWSZIU-UONOGXRCSA-N 381.523 0.802 30 10 GCEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](CC)C(=O)OC(C)(C)C)C1=O 931971291 NVGMEEIJMAHXNO-UONOGXRCSA-N 381.473 0.716 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC3(CCC3)O2)CC1 933049540 DHENTHSZAQTGKW-INIZCTEOSA-N 392.500 0.041 30 10 GCEE C#C[C@H]1CCCCN1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 934510471 WTMYVJDBKLMCKO-YWZLYKJASA-N 384.436 0.981 30 10 GCEE 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C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cn(C)nn1 1282703971 DGQWGMINLXSTKD-DZUCGIPZSA-N 375.473 0.977 30 10 GCEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1286430548 OLASIFZHMMNLIT-OAHLLOKOSA-N 384.484 0.854 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccn(C)n2)CC1 1286477119 OGYIWWAPIOZSAH-UHFFFAOYSA-N 379.472 0.410 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCn2cnnn2)CC1 1286477254 UFRRORFPDPOGDL-UHFFFAOYSA-N 378.444 0.172 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1286481377 UWAVJZRPTUPMBA-QZTJIDSGSA-N 389.500 0.733 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1286786702 XNBOBSUNLLQPTA-QWHCGFSZSA-N 399.459 0.001 30 10 GCEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(N)=O)CC1 1286818525 JZWUPBDZWQKBSU-UHFFFAOYSA-N 392.485 0.576 30 10 GCEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1Cc1ccc(C#N)o1 1288879965 KPJXJUCVNZEZPL-LLVKDONJSA-N 380.430 0.238 30 10 GCEE N#Cc1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)[nH]c2ccccc12 1291813561 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30 10 GCEE C=CC[C@@H](NC(=O)C(=O)N1CCO[C@@](C)(C(=O)OCC)C1)c1ccncc1 1330182361 HXQPLGXKWAZTFF-DNVCBOLYSA-N 375.425 0.996 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 1338641928 QLYJQDXPBAVOGH-ZIAGYGMSSA-N 389.433 0.565 30 10 GCEE C=CCn1c(CN(C)S(N)(=O)=O)nnc1N1CCC[C@@]2(C1)CC2(F)F 1340477979 MMTROYOXOMJMGZ-ZDUSSCGKSA-N 376.433 0.725 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1343281431 XAJQVDPZSNNTDM-OAHLLOKOSA-N 391.449 0.623 30 10 GCEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)C4O)CC2)c1 1344642261 FUYQCNUKRRNIJG-BYICEURKSA-N 383.452 0.221 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H]1C 1358968820 ADEBBFIFPVVJSX-HZPDHXFCSA-N 392.529 0.445 30 10 GCEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC(C)C 1359112939 WJEBPEDDNMICQT-AWEZNQCLSA-N 398.533 0.959 30 10 GCEE CCCn1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1455373328 DRTYDWKVLQUFNE-GFCCVEGCSA-N 390.469 0.822 30 10 GCEE CCN(CC)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)CC(C)C 1467948162 AAGFZBDFYBQSCB-OAHLLOKOSA-N 378.477 0.876 30 10 GCEE C=CCNC(=O)NC(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1479465545 WXYKPVJTTVXOGQ-LJCQJWCWSA-N 390.484 0.296 30 10 GCEE C#CCCCC(=O)N1CC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)[C@H]2COC[C@H]21 1489425753 RNXFABYGWWVDJM-LTIDMASMSA-N 387.480 0.377 30 10 GCEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc(O)nc1O 1490664799 DOYLBOCWYROAPY-WOPDTQHZSA-N 377.401 0.127 30 10 GCEE CC#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1490818457 ZRYRJZHGGVHWQC-OAGGEKHMSA-N 381.498 0.464 30 10 GCEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 1507878502 BEALWYOYDIHAEI-LBPRGKRZSA-N 380.478 0.222 30 10 GCEE C=CCn1c(-c2nn[nH]n2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1520589870 MTRRERDMYFVVAY-UHFFFAOYSA-N 394.487 0.903 30 10 GCEE C=CCn1c(CC[C@@]2(C)NC(=O)NC2=O)nnc1N1CCCN(CC)CC1 1520637011 XRCSFTURUHPSIQ-GOSISDBHSA-N 375.477 0.527 30 10 GCEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)CCO1 1521130427 VUJXHACCWHDWSR-CXAGYDPISA-N 390.831 0.874 30 10 GCEE CCOC(=O)C1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCOCC1 1538765928 OSUBIORYZWBVFU-SUMWQHHRSA-N 384.454 0.133 30 10 GCEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539790852 OBGDCMHOFSNRHL-CQSZACIVSA-N 386.843 0.845 30 10 GCEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N(C)C 1541855043 BVRXXTVGELIHRU-DZGCQCFKSA-N 380.518 0.870 30 10 GCEE COCc1nocc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1555330088 VPHQENYZRQVVGU-SJCJKPOMSA-N 389.391 0.854 30 10 GCEE C=CCn1cc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)nn1 1557740324 IMBFPCKQILWVQH-UHFFFAOYSA-N 390.444 0.416 30 10 GCEE Cn1ccn2c(CCNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)nnc2c1=O 1584502338 JHEBGWHVEBLTPF-UHFFFAOYSA-N 391.313 0.686 30 10 GCEE Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnc1Br 1585296330 SKGMMLITBMUIMO-UHFFFAOYSA-N 378.186 0.717 30 10 GCEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCOCC1 1587561300 CKXMETVCLNSYRL-HUUCEWRRSA-N 379.461 0.319 30 10 GCEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1587990340 VWUGPGQAEZGPNF-HNNXBMFYSA-N 395.529 0.360 30 10 GCEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@](C)(C#N)C2)cc1 1611485605 QMHHZKYAOWFCLK-QGZVFWFLSA-N 394.453 0.407 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1623722532 ZQRNZFDQLAZNFC-UHFFFAOYSA-N 399.473 0.401 30 10 GCEE COCCCOc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1623831217 WZAORDZZTZLMIY-UHFFFAOYSA-N 388.380 0.883 30 10 GCEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1626893751 FPUWBDHJLJMVSK-NWDGAFQWSA-N 376.413 0.789 30 10 GCEE N#Cc1c(N)sc2c1CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1)C2 1636719925 YULQJHCDOYVJMC-UHFFFAOYSA-N 392.462 0.813 30 10 GCEE COCCN(C)CCOc1cccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 1655088826 GCZHIIOMXMYQLQ-UHFFFAOYSA-N 387.440 0.514 30 10 GCEE Cn1nnnc1CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1686056541 ZJONNQSNLPPYCY-VXGBXAGGSA-N 378.437 0.201 30 10 GCEE C#CCO[C@@H](C)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1688554525 CNQDLZYSKBXBIX-WXJALIKYSA-N 389.496 0.051 30 10 GCEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1689990783 RQJKFQBBBLSFHP-OCCSQVGLSA-N 398.510 0.142 30 10 GCEE C#CCN1CCN(c2nnc(C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690113645 PPULZCQHPBDBKJ-SFHVURJKSA-N 387.532 0.284 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690667932 MYQCGIFDVPQNDS-HOCLYGCPSA-N 395.467 0.890 30 10 GCEE C#CCNC(=O)CC(=O)NC1CCC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1701148462 XCHHBJIZURYYSQ-YWWDTZIBSA-N 375.469 0.579 30 10 GCEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H](C)NC(C)=O)CCOCC1 1702957011 MEWQEYRUBVMABN-DZUCGIPZSA-N 375.469 0.579 30 10 GCEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H]1COCCO1 1705587792 JEGBNIAMSSVTRN-BZSNNMDCSA-N 388.468 0.880 30 10 GCEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@@H]2C1 1705736931 GNYUVMCNEPMNCM-IRXDYDNUSA-N 377.489 0.896 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](n2cncn2)C1 1705935518 UPNQRIUDDLXZHK-AWEZNQCLSA-N 379.490 0.874 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1706751889 WJDYCWZHSWLOCD-UONOGXRCSA-N 382.490 0.903 30 10 GCEE CCN(CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1710007165 DDPVPTHSPZKXDW-CABCVRRESA-N 377.493 0.875 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1719859623 ODZBOWOXEYRWQV-MDLJMBGESA-N 399.513 0.284 30 10 GCEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1722347284 GRVVYJUZAKBJEM-SFHVURJKSA-N 396.480 0.858 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(=O)NC)CCC1 1736588394 NVUFYQAJCSFLIY-SUJAAXHWSA-N 375.469 0.742 30 10 GCEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cc(OC)no1 1740360338 IETBXYKPAVEJGX-XOUADPBQSA-N 375.425 0.902 30 10 GCEE C#CCN(c1nnc(C2CC2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1740623483 VDCBURZFTBLOAG-AWEZNQCLSA-N 379.486 0.261 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1740671631 LFNNFAMHOOPQLI-HUUCEWRRSA-N 395.529 0.945 30 10 GCEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1748929131 DLYHHHQTQLSKDD-JKSUJKDBSA-N 396.513 0.835 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1749669265 FCWPKERLZOQHFU-HOTGVXAUSA-N 390.488 0.579 30 10 GCEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760527197 OQNUHVHYOVWTEY-IFXJQAMLSA-N 375.473 0.917 30 10 GCEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C)C1 1769368383 ADMPBOZKJHOJIP-ZDUSSCGKSA-N 390.469 0.591 30 10 GCEE C#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CS(=O)(=O)CN1C(C)=O 1852001983 ABVFTFAYAOXOSJ-CQSZACIVSA-N 385.825 0.998 30 10 GCEE COc1ccc(OC)c(CN2CCN(CCn3cc(C#N)c(O)nc3=O)CC2)c1 1852611611 MHAGOCVDFUZCII-UHFFFAOYSA-N 399.451 0.656 30 10 GCEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1853421961 FOPOTQIGQINKLO-QGZVFWFLSA-N 388.468 0.872 30 10 GCEE C=CCCN(C)[C@H]1CCCCN(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C1=O 1855225327 OBVBSTWINPLZHT-GJZGRUSLSA-N 385.486 0.005 30 10 GCEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)CC3CCCC3)C2)CC1=O 1856787804 KTALEXPCSHNQLW-CABCVRRESA-N 386.470 0.700 30 10 GCEE C=CCCC(=O)N1CCN([C@H]2CCN(C[C@@H]3CCCN3C(C)=O)C2)CC1=O 1856853705 RQRFGTLCMYDEPZ-ROUUACIJSA-N 376.501 0.709 30 10 GCEE C[C@@]12CCC(=O)N1CCN2C[C@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1857463919 YKNORYTYMWNRLD-VLIAUNLRSA-N 381.436 0.986 30 10 GCEE C#CCOc1cn(CCCN(CC)CC)c(CN(CCO)CCO)cc1=O 1870561984 LVHIYONWYUNDAA-UHFFFAOYSA-N 379.501 0.379 30 10 GCEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625734 JOZQERPQRQTAEK-UHFFFAOYSA-N 393.455 0.635 30 10 GCEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)CC1 1889236023 GPHSZYZSIOIELN-GOSISDBHSA-N 390.528 0.113 30 10 GCEE N#Cc1cc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)ccn1 1889291585 KWIIKJAENCCCJO-UHFFFAOYSA-N 379.424 0.542 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)N1CC(O)C1 1914055685 VLDBODXSNCMFOH-UHFFFAOYSA-N 384.263 0.328 30 10 GCEE 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383.383 1.193 30 10 GCEE C[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)[C@H]1CO 578787240 IBKHABQNBOZXNV-DOMZBBRYSA-N 387.483 0.222 30 10 GCEE COCCNC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCCC2 586347044 JPNQAVWLIGRYLO-VWLOTQADSA-N 383.495 0.948 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 593611073 JAEKUKTTYLIKDV-CYBMUJFWSA-N 375.410 0.962 30 10 GCEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 593698272 KEEGAAFHKZKLPH-INIZCTEOSA-N 391.435 1.569 30 10 GCEE N#CCCCC[C@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 594435399 CGEYLHXGQBSSGU-INIZCTEOSA-N 387.488 0.373 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CCCOC3)C2)cc1 594487928 ONCRSMTVLCSQRI-MRXNPFEDSA-N 399.494 0.680 30 10 GCEE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCO1 599513070 QEVLDFXUIBWABQ-XJKSGUPXSA-N 387.440 0.234 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 600762005 BTKLSGRYLWQQTN-XJKSGUPXSA-N 399.494 0.676 30 10 GCEE 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CZKCVCRIVKMIRH-UHFFFAOYSA-N 383.514 0.615 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C)C1CCN(C)CC1 1119891471 IMXHXJRDMFMZJU-GOSISDBHSA-N 382.464 0.486 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C 1119955739 AWQKGAANXWWGAD-CJNGLKHVSA-N 388.374 0.765 30 10 GCEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1121503015 ZVVDSTXRSGOQHN-LSDHHAIUSA-N 396.517 0.129 30 10 GCEE C=CCn1c(CO)nnc1N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1121700647 MBQAUEBBRZLYLV-ZWNOBZJWSA-N 380.392 0.902 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1122489021 JBMDLSFKWATILK-CHWSQXEVSA-N 378.502 0.295 30 10 GCEE C=C(C)Cn1c(CCOC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1122532250 WETIXMIGJUYHFA-UHFFFAOYSA-N 392.504 0.024 30 10 GCEE C=C(C)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@]1(C)CCC(=O)NC1 1122534400 SSGGAIHRQXFJMO-QGZVFWFLSA-N 383.518 0.893 30 10 GCEE CC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccs1 1134645523 NLJYSBAKCJFIJD-WOSRLPQWSA-N 381.479 0.712 30 10 GCEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 1144592900 VUVJXAFNRCNMRZ-BQOWYSNXSA-N 384.440 0.847 30 10 GCEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(N)(=O)=O)CC1 1175829888 QMECPEXJJJJNAL-SNVBAGLBSA-N 381.882 0.960 30 10 GCEE CC(C)(CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)CS(C)(=O)=O 1255232429 ITHWVEBQLXBUON-UHFFFAOYSA-N 379.486 0.856 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC2=C(CCC(=O)N2)C1 1261623410 WLBDAPDLXDWQTK-KRWDZBQOSA-N 382.420 0.446 30 10 GCEE C#CCN(c1nnc(-c2ccc(C)nc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1263272217 YXVPXXRXHBVULA-MRXNPFEDSA-N 389.481 0.922 30 10 GCEE C#CC1(O)CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 1263701825 RHQIMMQJMCZNLC-UHFFFAOYSA-N 384.480 0.744 30 10 GCEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286701200 WNVHOGODXLJJDK-ZIAGYGMSSA-N 394.501 0.360 30 10 GCEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1286768937 FCIOTCCYXFSPRQ-CYBMUJFWSA-N 396.517 0.523 30 10 GCEE O=C(C#CC1CC1)N[C@H]1CC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)n2ccnc21 1290857685 HVXORIMEZKDAMD-ORVJBUBXSA-N 392.459 0.818 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn2nccc2nc1C 1292102272 LEDWHEGKBCQNSJ-OIISXLGYSA-N 381.436 0.939 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)N1CCC(C)CC1 1292102285 LMZLMSLXIDWAGG-HZMVEIRTSA-N 375.469 0.531 30 10 GCEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O 1300468027 QRTOKDZJLKMWPZ-UHFFFAOYSA-N 377.470 0.395 30 10 GCEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@@H]1OC 1300635033 AORSNIKHPJGZGI-CVEARBPZSA-N 375.473 0.912 30 10 GCEE N#Cc1ccc(N2CC[C@H](C(=O)NC3CCN(S(N)(=O)=O)CC3)C2)c(F)c1 1301617728 VTZFIBOMZSAOGK-ZDUSSCGKSA-N 395.460 0.308 30 10 GCEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)ccc2=O)C1=O 1307353676 LDWGRIXFYIBEAK-IBGZPJMESA-N 379.376 0.608 30 10 GCEE N#CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 1318357324 YEYMEZQLMZGYRW-NWANDNLSSA-N 393.469 0.455 30 10 GCEE C=CCN(CCc1ccccc1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322960955 BYOVZJXGTTTWEO-VHEBQXMUSA-N 396.447 0.886 30 10 GCEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1327363882 TVDDTKQBIDKXIH-LJQANCHMSA-N 399.407 0.641 30 10 GCEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CO[C@@H]3CCNC3)CC2)CC1 1328986668 GLXJDPCNEUKELU-LJQANCHMSA-N 392.544 0.760 30 10 GCEE C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1(C)C 1332405784 YAEDENQZEBZPAW-BMNMPBFRSA-N 390.484 0.248 30 10 GCEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 1332997784 NGOSHERLCIPYEJ-IEDWGEEESA-N 390.440 0.093 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)cn1 1338445862 RLKJEPQVHQZLLI-CYBMUJFWSA-N 376.380 0.405 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCN(C)c2ncccc2C1 1338722163 HXDKZXUXXZHFOC-AWEZNQCLSA-N 389.485 0.680 30 10 GCEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OC)CCOC1 1338908699 XKBUMPGBGKDMTQ-QGZVFWFLSA-N 399.517 0.634 30 10 GCEE C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[C@H](N(C)C(=O)N(C)C)C1 1339069250 SWZDNQHLELIHNY-KGLIPLIRSA-N 375.477 0.650 30 10 GCEE C=CCn1c([C@@H]2CCC(=O)N[C@@H]2C)nnc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1339519642 UGPUIVFUSFENRC-LXTVHRRPSA-N 393.513 0.717 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3C[C@H](O)CN3C)n2Cc2ccccc2)CC1 1341988808 OBKRQELMMURKLW-OALUTQOASA-N 380.496 0.819 30 10 GCEE C=CCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1342385921 RRIOOHWUNJXARH-LPHOPBHVSA-N 376.505 0.823 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 1344601219 QFJRTVXPDZJLQU-UKRRQHHQSA-N 390.488 0.510 30 10 GCEE Cc1cccc([C@@H](C)CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1346275859 FRQFGZBQLYJJGM-YWMAMYRUSA-N 384.436 0.857 30 10 GCEE CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 1349222411 OJHFUTZHAJOZNO-JKSUJKDBSA-N 377.466 0.841 30 10 GCEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC)CCOC1 1351627385 XCOJCFKHVGWTCH-UGSOOPFHSA-N 390.444 0.199 30 10 GCEE C=CCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1356134749 PPCOZFYWEAOPQO-JXFKEZNVSA-N 388.516 0.967 30 10 GCEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C)C1CC1 1359247062 RGRIBZJZCHTHHS-NSHDSACASA-N 380.478 0.220 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1359299776 NEIMSJSQNHCXMU-UONOGXRCSA-N 376.461 0.176 30 10 GCEE CO[C@]1(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CCS(=O)(=O)C1 1446019888 CCTIPJYSTVDBKY-GOSISDBHSA-N 393.465 0.662 30 10 GCEE COCCN(CC#N)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1468721206 KAOVQYMSPWRUKI-INIZCTEOSA-N 385.424 0.535 30 10 GCEE Cc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1-c1cnn(C)c1 1470360064 BMTGQUUTUDIXTC-UHFFFAOYSA-N 378.392 0.960 30 10 GCEE N#C[C@@]1(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CCCOC1 1470593029 IAFBTJODZHKCCI-KRWDZBQOSA-N 378.454 0.303 30 10 GCEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1 1470618454 OIBINVAQCKBYQM-QGZVFWFLSA-N 383.433 0.911 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCO)Cc2ccc(OC)cc2)C1=O 1472283925 JBKFCVGPKACRLJ-UHFFFAOYSA-N 389.408 0.383 30 10 GCEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC#C[C@@H]1CCCCO1 1472317374 FGYVFGWMLDLWCM-ZBFHGGJFSA-N 375.450 0.914 30 10 GCEE COc1ccccc1O[C@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1478057977 CYSFWLJODFWQAG-GFCCVEGCSA-N 387.396 0.596 30 10 GCEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC1 1508039309 MYYCFHPYVXQVSZ-HUUCEWRRSA-N 384.502 0.856 30 10 GCEE C=CCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508057906 LGKFJMOVHJVNKX-GOSISDBHSA-N 382.428 0.736 30 10 GCEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)Cc2ccc(C#N)nc2)C1 1536929310 TUWMNOVBZPVJLN-UHFFFAOYSA-N 385.424 0.444 30 10 GCEE CSc1nc(O)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C#N 1538766573 XZCCNLMNTSGHJK-ZUZCIYMTSA-N 378.435 0.391 30 10 GCEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)CC1 1540873636 FFNYSMYJAXPMAV-UHFFFAOYSA-N 384.488 0.593 30 10 GCEE C=CCNC(=O)c1ccc(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1542168428 TVDHNGGTKDYJGO-UHFFFAOYSA-N 389.437 0.685 30 10 GCEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCc1ccccn1 1574543016 KEGSPGDBFVKUOS-KURKYZTESA-N 382.464 0.792 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1588128329 IBNWXPYVFVXDAD-HNNXBMFYSA-N 380.408 0.211 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)CC1 1595545116 RDYZJJDEHUHION-INIZCTEOSA-N 392.504 0.590 30 10 GCEE Cn1cc(Br)c(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1=O 1617125863 OJIXCMSJTTXNKZ-UHFFFAOYSA-N 378.186 0.998 30 10 GCEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1628787422 ZZACNOAWVIEJJQ-UHFFFAOYSA-N 391.391 0.495 30 10 GCEE C#CCN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 1634011762 SQUNNCDGMWWULN-UHFFFAOYSA-N 375.450 0.632 30 10 GCEE Cn1cnc(-c2nnc3n2CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C3)c1 1635865090 JQCMBUUFFLGOLC-UHFFFAOYSA-N 390.407 0.322 30 10 GCEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1638335246 SYRUTEGQEBIDSQ-OLZOCXBDSA-N 383.445 0.650 30 10 GCEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1639003278 WYENYUIFHASORA-QGZVFWFLSA-N 380.429 0.992 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)n1 1639992261 SMZQERQUOOQDSQ-MRXNPFEDSA-N 390.440 0.978 30 10 GCEE CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1640494954 DXUZBGORTOJDMM-AWEZNQCLSA-N 391.428 0.728 30 10 GCEE Cn1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(-c2cccs2)n1 1640636489 INXFUIZOUSEPPX-UHFFFAOYSA-N 382.405 0.980 30 10 GCEE C=C(Cl)C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)OCC 1642682853 IDLLZXGPTLIWOF-SNVBAGLBSA-N 391.833 0.046 30 10 GCEE Cn1c(=O)[nH]c(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c(C#N)c1=O 1651915472 QTUDHDVDAQXDSJ-LLVKDONJSA-N 390.197 0.535 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)COc2ccc(F)cc2)c1=O 1652525060 SBFGCMVFKAKMMS-UHFFFAOYSA-N 375.356 0.331 30 10 GCEE COC(=O)CCN(CC#N)CC(=O)NCC(=O)Nc1cc(C)ccc1OC 1654553964 XDHMLOHRTMTGJM-UHFFFAOYSA-N 376.413 0.447 30 10 GCEE C#CC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1660506737 BXWULNVIYCDOHW-UHFFFAOYSA-N 391.493 0.788 30 10 GCEE C#CC[C@@H](CO)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1664346062 YWQWRXCNSRQIGC-ZDUSSCGKSA-N 378.454 0.754 30 10 GCEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC 1670893326 IRQFQXOUXPMQBZ-MRXNPFEDSA-N 396.465 0.945 30 10 GCEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1690077235 LEFPORMPELLRKZ-KGLIPLIRSA-N 385.490 0.105 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOCC2CC2)CC1 1690110342 HXPCNDWRPHMHKJ-UHFFFAOYSA-N 388.516 0.988 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCS(=O)(=O)CC=C)CC1 1690138347 ZMDMZKMWSAENSN-UHFFFAOYSA-N 379.486 0.153 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1690527836 UHQXWKDYVSOSGT-OAHLLOKOSA-N 397.501 0.580 30 10 GCEE C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1OCC 1691759263 INCHTUSLNBSGRX-HTBDUDNFSA-N 377.485 0.004 30 10 GCEE CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1702594152 NJSBKJWWHAMVNE-LTIDMASMSA-N 377.485 0.956 30 10 GCEE CCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 1702912245 VNYMGMWTBFEMPW-IPYPFGDCSA-N 378.454 0.573 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCCN(C)C1=O 1702999758 RBLYXUYRXDQLQC-TWMKSMIVSA-N 375.469 0.533 30 10 GCEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOCCN(C)C)CC1 1705643439 GCGFCEIPAXAFJW-QGZVFWFLSA-N 376.505 0.463 30 10 GCEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705724356 IMZIPJFHWPGFQA-UHFFFAOYSA-N 398.471 0.885 30 10 GCEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)C1 1706935549 UDHCKFZXLSNNLP-KBXCAEBGSA-N 376.461 0.758 30 10 GCEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nccn1C 1719836212 PCMBCFATNFSJMU-WCVJEAGWSA-N 376.457 0.776 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(C)=O)CCCC1 1719896082 SSTHXYXGNJWPGO-SVGFKBNWSA-N 375.469 0.722 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1 1719896868 VXRVNRQRHSYCFE-BDXSIMOUSA-N 376.501 0.801 30 10 GCEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(C(N)=O)nc1 1722424328 JPUPPBZSDMAZIP-UHFFFAOYSA-N 391.435 0.968 30 10 GCEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722532051 ARGQAFFNMAPEJQ-GJZGRUSLSA-N 388.472 0.633 30 10 GCEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722696104 BFGSTJVDFISCGA-IBGZPJMESA-N 381.440 0.359 30 10 GCEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1730879190 YUUQADCUENXVCN-ZFWWWQNUSA-N 380.449 0.257 30 10 GCEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(CC)S(C)(=O)=O 1740598183 HKQIBUCMDLIVSF-UHFFFAOYSA-N 396.517 0.255 30 10 GCEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1=O 1748044240 AQVZDHHZDNHCJJ-LJQANCHMSA-N 398.492 0.864 30 10 GCEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749454525 IIIIRURSDQPOBB-CQSZACIVSA-N 384.444 0.542 30 10 GCEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CC1 1750059819 CDRKCSIGNUFQDK-HSMVNMDESA-N 384.506 0.645 30 10 GCEE 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C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 831564606 CGHCBMOEBAGQOO-UHFFFAOYSA-N 377.466 0.496 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 834543933 WORCZBGCCPJEKR-KRWDZBQOSA-N 383.496 0.712 30 10 GCEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 836014500 PYSHVLMTDGLDNJ-HOCLYGCPSA-N 394.424 0.954 30 10 GCEE C#C[C@H]1COCCN1C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 838273130 NVYBTYGECDJKKO-XOBRGWDASA-N 385.420 0.631 30 10 GCEE C#C[C@@H]1COCCN1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 838542958 RNDRXBHGZZVIJV-QYZOEREBSA-N 382.464 0.629 30 10 GCEE CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846734323 UCBFDXDWXVWSSX-BRWVUGGUSA-N 375.425 0.360 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 849435052 QPKIAQJRHIAJGA-UHFFFAOYSA-N 393.421 0.182 30 10 GCEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc3n(n2)CCC3)CC1 853308647 QWTXOCUTKUXGAQ-UHFFFAOYSA-N 389.485 0.606 30 10 GCEE CN(C)c1c(C=NNc2cccc3c2OC(F)(F)O3)c(=O)n(C)c(=O)n1C 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30 10 GCEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC(CC#N)C2)cc1 598765891 GYFKFKJLXWTMGT-UHFFFAOYSA-N 392.481 0.819 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCNC23CCC3)CCN1Cc1ccccc1 599959700 RYGKSAVKHZGBFQ-MSOLQXFVSA-N 381.480 0.624 30 10 GCEE CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 599990057 KYVDLXJQIKRCLE-DGCLKSJQSA-N 380.372 0.595 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@H]4C[C@@H](O)C[C@H]3C4)CC2)cc1 601526394 WLDOBGYNMSTSLQ-GUDVDZBRSA-N 382.464 0.574 30 10 GCEE N#Cc1ccc(Cl)c(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 613917583 MSRJJEQXQQTOAP-UHFFFAOYSA-N 377.875 0.916 30 10 GCEE N#Cc1cc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)ccc1C(F)(F)F 619708111 ZLAOZKRADKVTBV-UHFFFAOYSA-N 389.315 0.732 30 10 GCEE C#CCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 729334564 TXCWOINMOLYIOH-INIZCTEOSA-N 381.498 0.563 30 10 GCEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccccc1 732452663 IBTDTLURMBHYSO-VDMFXUGISA-N 385.424 0.517 30 10 GCEE C[C@H](CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[S@](C)=O 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C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cnn(C)c1 1595536494 BQMYOFKXGXCRGC-CABCVRRESA-N 398.471 0.606 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)C1=O 1602778022 POIOSFCGKLDZEK-NWDGAFQWSA-N 392.412 0.183 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 1628917590 JSTIXGSMVVCDIJ-CQSZACIVSA-N 384.479 0.247 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)CC1 1636469249 KPOWYGKXBMLJDZ-UHFFFAOYSA-N 386.433 0.991 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1638242153 HHBQWEGPEAYBGS-DCGLDWPTSA-N 398.485 0.576 30 10 GCEE COC(=O)C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1638505493 AVQVGFYGJCWBSJ-CHWSQXEVSA-N 393.465 0.773 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2ncnn2C)s1 1639097450 VYYADIYKKXEWAV-UHFFFAOYSA-N 383.499 0.632 30 10 GCEE N#Cc1ncc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C#N 1641986308 FCMDJIOZGGNYSH-UHFFFAOYSA-N 384.421 0.853 30 10 GCEE COC(=O)c1cccc(CN2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1C#N 1655841050 CZGRNRFPAOPOCG-MRXNPFEDSA-N 382.424 0.717 30 10 GCEE CC(C)(CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)CS(N)(=O)=O 1675254111 JSYJUBVQNZDKAR-UHFFFAOYSA-N 379.486 0.963 30 10 GCEE N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)N1CCCC1 1686121923 KKBMFDYKGFAPCF-MCIONIFRSA-N 379.486 0.297 30 10 GCEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1690015259 GCPZPGBBNIQIGG-IRXDYDNUSA-N 385.468 0.745 30 10 GCEE C[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1698441076 BDBCGWZIRGIBMX-RIVYBZEWSA-N 386.456 0.889 30 10 GCEE C=CCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1702590897 KWSOFZZNDBRVIA-FXUDXRNXSA-N 381.473 0.355 30 10 GCEE C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCC1 1702912258 VXRVNRQRHSYCFE-OWSLCNJRSA-N 376.501 0.801 30 10 GCEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705641742 RHBWLLQTQRQPOV-QGZVFWFLSA-N 391.541 0.811 30 10 GCEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705891448 FZOBZOXQFBAREU-UHFFFAOYSA-N 399.499 0.335 30 10 GCEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 1705902720 JEHVHYBFAAMMJP-RBSFLKMASA-N 395.529 0.965 30 10 GCEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1706077106 KLYITKVJUBNDEF-HIFRSBDPSA-N 396.455 0.848 30 10 GCEE CN1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C#CC(C)(C)C)S1(=O)=O 1719892834 YSZMVVUYZWWYRU-APIJFGDWSA-N 381.498 0.318 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccncc1 1722275172 CIRJQMVGIIKBGA-UONOGXRCSA-N 376.486 0.984 30 10 GCEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363014 YLAVZDCTIOBVOA-GJZGRUSLSA-N 390.513 0.850 30 10 GCEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC2CCOCC2)CC1 1722699965 REYFTNPXWJIDJB-UHFFFAOYSA-N 376.505 0.691 30 10 GCEE Cn1cnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1729587614 AQTZWVWWQCEDNX-SFHVURJKSA-N 383.460 0.821 30 10 GCEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)n1 1748038943 YCLUTGFDVFXBRT-CQSZACIVSA-N 377.412 0.305 30 10 GCEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccco1 1760193304 CVUSJHPPIVPZDY-UHFFFAOYSA-N 382.424 0.512 30 10 GCEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1760287247 LNBREFZWVOPELE-GOSISDBHSA-N 375.473 0.950 30 10 GCEE C=C(C)COCCn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760350340 DKLDVZBDSKNKHI-UHFFFAOYSA-N 385.472 1.000 30 10 GCEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1760440401 IWVIHDQBPWSUMQ-GJZGRUSLSA-N 399.517 0.802 30 10 GCEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)C1 1760541673 GFQGLNCPWYYQEO-CABCVRRESA-N 390.488 0.879 30 10 GCEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCOCCCO)CC2)c1C#N 1762399753 ATHNOTOKEMZAAZ-UHFFFAOYSA-N 388.476 0.226 30 10 GCEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)n1 1762458009 DGINRXOJJROEJR-HUUCEWRRSA-N 384.444 0.147 30 10 GCEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC1=O 1851237344 CMCRZKUBTPHFJX-ZDUSSCGKSA-N 382.420 0.923 30 10 GCEE C=CCCN(C)[C@@H]1CCCCN(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C1=O 1855225326 OBVBSTWINPLZHT-CABCVRRESA-N 385.486 0.005 30 10 GCEE COCc1nc(CCN2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)no1 1855358917 WATWJGGTARTVBL-UHFFFAOYSA-N 383.408 0.923 30 10 GCEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCC(=O)N(C)CC3)C2=O)CC1=O 1855510797 WXEPYKCCGSWHSP-JKSUJKDBSA-N 390.484 0.093 30 10 GCEE CC1(C)C(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)CCN1CCC#N 1855905019 NIDNMXKUCYLVDL-UHFFFAOYSA-N 383.412 0.404 30 10 GCEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1856447539 SLKGBANSRCOKFC-KGLIPLIRSA-N 389.456 0.787 30 10 GCEE Cc1nnc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)o1 1857065765 AARIBAUWPXPXTC-CQSZACIVSA-N 381.396 0.208 30 10 GCEE O=C(NCCO)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933830 PHLDRQKYAYBQKM-HNNXBMFYSA-N 391.424 0.584 30 10 GCEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)CC(=O)NCCC#N 1882495755 UTOACCKLRIJUHZ-NSHDSACASA-N 391.446 0.188 30 10 GCEE CCN1CCN(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)C(=O)C1=O 1891800083 IRPXUAJUBBJWIJ-UHFFFAOYSA-N 385.424 0.855 30 10 GCEE NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C#CCO 2095890612 RGWMMBFXDZCJQG-UHFFFAOYSA-N 376.409 0.846 30 10 GCEE C[C@H](O)CN(CCNS(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C 2118166511 JUXJLNTWPDJNLB-LBPRGKRZSA-N 384.458 0.849 30 10 GCEE C#CCN(C)CCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2123522670 SVBHUXMNDUHNBE-AWEZNQCLSA-N 387.502 0.092 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC(C#N)C2)OCC12CC2 2129234223 ZIJKXEHFYGSRGE-CYBMUJFWSA-N 386.474 0.445 30 10 GCEE COC(=O)[C@H](C)S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2189859151 DPGVNECZJZNVBO-JTQLQIEISA-N 385.251 0.387 30 10 GCEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)C(=O)C1=CCS(=O)(=O)CC1 2217640521 YOSVNGXVCJIWHE-TZMCWYRMSA-N 375.443 0.297 30 10 GCEE COC(=O)[C@H](CS(=O)(=O)NC[C@@H](C)C#N)NC(=O)OCc1ccccc1 2244226662 ZSFQAJYTRAXCEP-JSGCOSHPSA-N 383.426 0.533 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC3(C2)OCCO3)n1 2255657025 JINMKPJDIOWEIH-UHFFFAOYSA-N 377.250 0.698 30 10 GCEE Cn1cc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2267375534 IODXTOAYYGAZNO-UHFFFAOYSA-N 384.292 0.654 30 10 GCEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(=O)O 2269025654 BXIHOFJWUCGIBJ-KCJUWKMLSA-N 391.276 0.160 30 10 GCEE CC1(C)OB(c2ccnc(N[C@@H]3CNC[C@H]3S(C)(=O)=O)c2F)OC1(C)C 2280759752 VHHHNFYPBKGTBK-VXGBXAGGSA-N 385.270 0.317 30 10 GCEE Cc1c(C(=O)N2CCSC[C@@H]2CO)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801578 FVNUSAJTTCXRDK-LBPRGKRZSA-N 381.307 0.578 30 10 GCEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCS(=O)(=O)N1 2281802820 OYNYCUDIKSQJPH-LLVKDONJSA-N 384.263 0.309 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](N)[C@H](CO)C1 2281972458 NFBCOUQAEXYYDP-NWDGAFQWSA-N 381.307 0.532 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)c1nn[nH]n1 2281975492 NKQGKGDEJNKPBD-QMMMGPOBSA-N 378.267 0.797 30 10 GCEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)S(C)(=O)=O 2282027825 VLEZUSPGCOPVRM-WDEREUQCSA-N 383.279 0.327 30 10 GCEE Cn1cc(C(=O)N=[S@](C)(=O)CC2CNC2)nc1B1OC(C)(C)C(C)(C)O1 2282041694 AEFTZKVXICQUNC-AREMUKBSSA-N 382.295 0.177 30 10 GCEE CC1(C)OB(c2cc(C(=O)N3CCN(C4COC4)CC3)ns2)OC1(C)C 2282052785 COWMTULSPLODEX-UHFFFAOYSA-N 379.291 0.599 30 10 GCEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@@H](O)CO 2282311406 ICCCUVWJRCSJCS-JSGCOSHPSA-N 385.291 0.314 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3cnn[nH]3)c(F)c2)OC1(C)C 2282325781 JLPFENOASTWJRV-UHFFFAOYSA-N 382.226 0.722 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H](N)C1 2282336362 BYSHFGZRLSBKIS-GFCCVEGCSA-N 384.311 0.221 30 10 GCEE C[C@H]1C[C@H]1N(CCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282347754 BVXRKHICNNZUOQ-WCQYABFASA-N 385.295 0.111 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC[C@@](C)(O)C3)c2)OC1(C)C 2282417355 BMVZWECKGAMMAT-SUMWQHHRSA-N 382.291 0.963 30 10 GCEE C=C(CS(=O)(=O)N1CCCN(C[C@@H](C)O)CC1)B1OC(C)(C)C(C)(C)O1 2282499627 DZJRRWIQVGODDC-OAHLLOKOSA-N 388.339 0.892 30 10 GCEE Cc1nc(C(=O)N2CCC[C@](O)(CO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282511699 DCQVFSJHVWFNCD-QGZVFWFLSA-N 382.291 0.710 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)C(F)(F)F)n1 2282523745 CEZXQBNXRUAJEX-SECBINFHSA-N 377.172 0.620 30 10 GCEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2(S(C)(=O)=O)CCC2)OC1(C)C 2282586348 XMJYTSSENDJOGR-UHFFFAOYSA-N 383.279 0.406 30 10 GCEE CC1(C)CN[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2282610494 XJBIGXIZZUBQRB-NSHDSACASA-N 381.307 0.939 30 10 GCEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3C[C@@H](CS(C)(=O)=O)C3)c2)OC1(C)C 2282638297 KUYCRNWDNQPUGN-BJHJDKERSA-N 382.291 0.867 30 10 GCEE Cc1sc(C(=O)N[C@@H]2CC(=O)NC2=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282643098 WULZFRONIMDDNF-SNVBAGLBSA-N 378.259 0.809 30 10 GCEE Cc1cnc(C(=O)N(C)C2CS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282649684 CLMYXEXLBLDOFN-UHFFFAOYSA-N 380.275 0.558 30 10 GCEE CC1(C)OB(C2CC(C(=O)NCCN3CCS(=O)(=O)CC3)C2)OC1(C)C 2282653788 FYJZLEKGGSIGOX-UHFFFAOYSA-N 386.323 0.705 30 10 GCEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@@H]3C[C@]3(N)C2)OC1(C)C 2282829893 LWYFREWHHQMEIO-GTNSWQLSSA-N 382.266 0.847 30 10 GCEE Cn1[nH]cnc1=NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282832792 CNKFKOSZWHUKEH-UHFFFAOYSA-N 398.681 0.990 30 10 GCEE C[C@@H]1C[C@H]2CN(S(=O)(=O)c3c(B4OC(C)(C)C(C)(C)O4)nnn3C)C[C@@H]12 2282838662 SCRKVDHAZOOFDR-WOPDTQHZSA-N 382.295 0.391 30 10 GCEE C[C@@H](O)[C@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282846612 MGWRIGCUQSTUAA-IUODEOHRSA-N 385.291 0.147 30 10 GCEE CN[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282860029 UQXYOZLTWWHADW-AWEZNQCLSA-N 381.307 0.753 30 10 GCEE COC(=O)[C@@H](CC(=O)O)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2284375115 AOWBFXFIDWNDRV-SNVBAGLBSA-N 383.231 0.793 30 10 GCEE Cc1cc(S(=O)(=O)NC[C@H](O)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284398818 CDTYWODVWMBCDF-ZDUSSCGKSA-N 385.247 0.018 30 10 GCEE CC1(C)OB(c2scnc2C(=O)NC2(C(=O)O)CCOCC2)OC1(C)C 2284420315 AFNFHALNNIPRGH-UHFFFAOYSA-N 382.247 0.806 30 10 GCEE 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CC1(C)OB(c2sncc2C(=O)N2[C@H](CO)C[C@@H]3OCC[C@H]32)OC1(C)C 2362570856 FFVHQPBDXILAPG-UHTWSYAYSA-N 380.275 0.807 30 10 GCEE Cc1scc(C(=O)N2NC(=O)C[C@@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2369541991 QCXYODYJZMAEPL-SNVBAGLBSA-N 380.231 0.686 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C(=O)O)N1C[C@@H](C#N)N2CC[C@H]1C2 2374740531 DEQUUUBRJHYZGK-CIAYYJEWSA-N 376.457 0.979 30 10 GCEE C#C[C@@H]1COCCN1[C@@]1(C(=O)O)CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2374774120 CUIOKQNLKZXYIU-MDASCCDHSA-N 380.441 0.944 30 10 GCEE C#C[C@@H](C)N1CCN([C@@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CC1 2378635721 ZEWJCAUZILCGIB-DNVCBOLYSA-N 381.473 0.716 30 10 GCEE C#CCN(C(=O)c1nc(N2CCCC2)ncc1Cl)[C@H]1CCS(=O)(=O)C1 104310642 CRBZQDGPHPYURP-LBPRGKRZSA-N 382.873 0.993 30 10 GCEE CC(=O)N1CCC(S(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 208044538 JGCKILGSLGVXEF-UHFFFAOYSA-N 395.290 0.560 30 10 GCEE COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 255369493 YCBLXCFOHHEWAV-MRXNPFEDSA-N 395.440 0.902 30 10 GCEE 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0.735 30 10 GCEE COc1cccc([C@@H](C#N)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1OC 729428899 HJMPRDDJWDWEJG-QIAWRQBBSA-N 384.392 0.495 30 10 GCEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccccc1OCC#N 735772718 VLCYXZZMYMVRCF-CYBMUJFWSA-N 381.410 0.591 30 10 GCEE CN(C)CCN(Cc1ccco1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 756022245 DICGXMIVAGBMRS-WUKNDPDISA-N 375.429 0.879 30 10 GCEE C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 773945006 NJSRFCISJDSFQN-CQSZACIVSA-N 392.481 0.041 30 10 GCEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cnccc1C(F)(F)F 785492357 AOGCLWDKGNIQRK-SEYXRHQNSA-N 390.343 0.905 30 10 GCEE C#Cc1ccccc1CC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 811260829 LPXZOCHRTRUMHR-UHFFFAOYSA-N 380.404 0.591 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3c(C)cnn3C)cc2C1=O 813988898 SYHYJEURUCWVBM-UHFFFAOYSA-N 388.405 0.629 30 10 GCEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 843999632 GGIQVRIBAOHPRI-CABCVRRESA-N 389.477 0.949 30 10 GCEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 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C=C1[C@@H](C(=O)N2CCC[C@@H]2C2OCCO2)[C@H]1C(=O)N1CCC[C@@H]1C1OCCO1 888444969 CCYFDDIUXDGPKK-FPCVCCKLSA-N 392.452 0.516 30 10 GCEE C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)C1 891169770 RZGAVABULNLWRU-UHFFFAOYSA-N 386.427 0.473 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](COC)[C@H]2CCCOC2)c1 899655783 NKTNNGWCPQXGEQ-RDJZCZTQSA-N 380.466 0.770 30 10 GCEE C=C(C)Cn1c(-c2ccc(=O)n(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 909340444 CTOWRCBLGRILQI-INIZCTEOSA-N 386.456 0.561 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2cccc(OC)c2)CC1 913788795 NRFVMJVDVXDQJI-UHFFFAOYSA-N 387.408 0.399 30 10 GCEE C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 931205800 IAQDXUREVKOOOR-SHTZXODSSA-N 377.485 0.779 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)CC1 933017452 ONCCDVGSHDFQGP-OCCSQVGLSA-N 378.395 0.583 30 10 GCEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CC(=O)OC)C2)c1 934205972 OCXZRJKUWRQWLU-OAHLLOKOSA-N 379.434 0.888 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1 941916364 ZMFDMWQAZPNTPM-REBRKWNGSA-N 376.413 0.032 30 10 GCEE CNS(=O)(=O)c1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1C 1116291559 GRNVTSFXUBSNGC-MSUUIHNZSA-N 392.437 0.758 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCC2CCOCC2)n1 1117029974 CHKGKHLVNWXJGB-UHFFFAOYSA-N 376.457 0.424 30 10 GCEE C#CCN(C(=O)C(=O)NCCC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1117696162 WSRWMYKMAFBLKH-DZKIICNBSA-N 384.498 0.345 30 10 GCEE C#CCN(C(=O)C(=O)NCCOC(F)(F)C(F)(F)F)C1CCN(C)CC1 1119898045 UDDFOKGYMWJKGX-UHFFFAOYSA-N 385.333 0.830 30 10 GCEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(C(=O)OC)CC1 1121539909 VZBJAWVJNIUABK-GFCCVEGCSA-N 380.474 0.127 30 10 GCEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CCCN(CC)C(=O)C1 1122489031 JKCPGJXSDLDSEI-CQSZACIVSA-N 392.529 0.687 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(c2nncn2C)CC1 1122532235 WBVJFVVGFLKOIE-CABCVRRESA-N 387.492 0.047 30 10 GCEE CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1226184350 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C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1261665341 IQRGFKWJRJYHDC-UHFFFAOYSA-N 383.392 0.135 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1300595651 FDQOUWIXBVOLIV-UHFFFAOYSA-N 388.516 0.820 30 10 GCEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1301196703 IDSGUQKWSWPCMR-CYBMUJFWSA-N 399.521 0.316 30 10 GCEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nncn2CC)C1 1301554885 PCPIBNRVIGPIAK-UONOGXRCSA-N 386.460 0.670 30 10 GCEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COCCO1 1302286401 HQGKGBNFXJWUSR-JTOWHCCKSA-N 395.435 0.859 30 10 GCEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1303003084 CAPGFPKFWTYPJU-OCCSQVGLSA-N 396.411 0.057 30 10 GCEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCn2ccnn2)CCO1 1316538863 AXIIMBKGIDKOGK-MRXNPFEDSA-N 379.428 0.674 30 10 GCEE C#CCN(C(=O)C(=O)NCCOc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1323689008 MICFQVWLESLJGM-MRXNPFEDSA-N 392.477 0.447 30 10 GCEE COC[C@@H](CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)OC 1327278227 CWGQRYXNOLRARX-OAHLLOKOSA-N 386.412 0.304 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1328230334 LFXNKWMOSGPGFP-WCQYABFASA-N 384.404 0.791 30 10 GCEE CS(=O)(=O)N1CCC(CNC(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC1 1329808964 YLEPFDHLRJNMDM-UHFFFAOYSA-N 390.465 0.188 30 10 GCEE C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1330759404 BGDBRPDIPUWWHZ-LSDHHAIUSA-N 380.466 0.730 30 10 GCEE C[C@H](CN(C)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1331446304 CWVZRNVOCZNXAU-CYBMUJFWSA-N 395.419 0.466 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)C1CCN(C)CC1 1333528408 BSYGIPVOQLJCBR-DNVCBOLYSA-N 379.526 0.713 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 1339510847 XOHWKIAKXHKICA-UHFFFAOYSA-N 383.857 0.800 30 10 GCEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1ccsc1 1342273708 VMYLRFSOQLWLOD-ZDUSSCGKSA-N 384.465 0.806 30 10 GCEE C=C(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1342520965 CKYDQTGFNIWDAX-UWVAXJGDSA-N 385.516 0.942 30 10 GCEE C#CCN(c1nnc([C@H](O)CC(C)C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1342856248 VGORJCMNJNOXND-HUUCEWRRSA-N 384.502 0.631 30 10 GCEE C#CCN(c1nnc(COCC=C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1345383053 OGKPPIZMTJLIQL-CVEARBPZSA-N 394.497 0.644 30 10 GCEE Cn1nccc1COCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1346935230 FPAJPNHTKVMETC-KMFMINBZSA-N 382.424 0.698 30 10 GCEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccn(CCOC)n1 1347720983 CFWGMESEMDBAKP-ABFRBSLYSA-N 376.457 0.982 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1349797923 JGFHZFRQIKGAGY-HNNXBMFYSA-N 379.413 0.982 30 10 GCEE C=CCCSCCNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1350875325 XPCNIJJMEVPCRW-ZDUSSCGKSA-N 398.506 0.763 30 10 GCEE C=CCCCN(CC)C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1353119732 QNHNGBFQIAXQDK-OAHLLOKOSA-N 385.472 0.976 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N(C)Cc1cnn(C)c1C 1355998138 VOFYHVYOIPYNOM-AWEZNQCLSA-N 375.502 0.917 30 10 GCEE C#CCN1CCC[C@H]1c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCOC 1358493838 KBKLYNARGDPOOD-QFBILLFUSA-N 375.473 0.690 30 10 GCEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1358999118 FGFSQYLJPRFINX-OAHLLOKOSA-N 390.488 0.371 30 10 GCEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1358999183 IMIOHTUSJSMSKY-UHFFFAOYSA-N 397.439 0.244 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CC)CC1 1359034384 OFUVZIWYJKCLDF-GOSISDBHSA-N 382.516 0.918 30 10 GCEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359287500 GZJRCWBGSMTRQY-HIFRSBDPSA-N 376.486 0.543 30 10 GCEE C=CCOc1ccc(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1OC 1456309668 MAGMAYINEBHMMU-UHFFFAOYSA-N 380.426 0.853 30 10 GCEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1(C#N)CC2(CC2)C1 1457703637 RTPTYTPQCXALAT-UHFFFAOYSA-N 377.466 1.000 30 10 GCEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1464839322 VCKHRTBZMABNIG-KWQFWETISA-N 382.211 0.866 30 10 GCEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(N)=O)nc2)CCO1 1505325095 PXZNYDUJUIMBDF-DZGCQCFKSA-N 383.412 0.401 30 10 GCEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCOC1 1507658859 PPFAGJWVCRZRSS-FQEVSTJZSA-N 387.484 0.811 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1507659948 JFBQRIYYSYVZJS-CQSZACIVSA-N 389.485 0.133 30 10 GCEE N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1O 1512879808 BCRDYZAPUTXIQU-SJXGUFTOSA-N 377.441 0.874 30 10 GCEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1518746165 AWBXDGYGOULNSK-ZIAGYGMSSA-N 385.465 0.905 30 10 GCEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1520288933 GZLGIJCNPNWJSA-FPXQBCRKSA-N 377.489 0.976 30 10 GCEE C=C(C)Cn1c(CNS(=O)(=O)CC)nnc1N1CC[C@H]2[C@H](CCN2C)C1 1523795189 AYFFPDXHYIULBB-CABCVRRESA-N 382.534 0.824 30 10 GCEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)Cc2nnc(C)o2)CC1 1536641049 CFSSGXIETFUYNX-SUFIHLRJSA-N 398.463 0.797 30 10 GCEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1539089783 REWUKJRTGXETKR-INIZCTEOSA-N 385.472 0.932 30 10 GCEE C#CCN(c1nnc(C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539205712 JNLRBNOKNUWWJA-MRXNPFEDSA-N 376.486 0.808 30 10 GCEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1539704715 IBQHATNFAZQBHN-UKRRQHHQSA-N 381.502 0.813 30 10 GCEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1558442113 GAZYWKFACSLSBB-SKDRFNHKSA-N 379.360 0.920 30 10 GCEE N#C[C@]12CN(CC(=O)NCCOc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1560194442 VCJYHHOZJWATOG-SUMWQHHRSA-N 381.429 0.191 30 10 GCEE N#C[C@H]1CN(C(=O)c2cn(C(F)(F)CO)nn2)CCN1Cc1ccccc1 1565718460 JCZIEJQRIDOECM-AWEZNQCLSA-N 376.367 0.670 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn2nccc2nc1C 1574239865 DXTPMQLWOQANER-FSDCSDTHSA-N 381.436 0.938 30 10 GCEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C(=O)CC)C1 1574369039 HBRTVDRFZWLUNX-NCOADZHNSA-N 375.469 0.533 30 10 GCEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C(C)C)CC1 1588723751 PEHDHTWXWUSTGE-HXUWFJFHSA-N 388.516 0.676 30 10 GCEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCOCC2)CC1 1588806671 ZGNRAAUTKNMFAK-UHFFFAOYSA-N 396.495 0.945 30 10 GCEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595602765 QIHFZMIXVWUGIM-HZPDHXFCSA-N 385.472 0.608 30 10 GCEE CCN(C)C(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1615090914 IMXXEFDHAOSRFO-GUYCJALGSA-N 382.440 0.922 30 10 GCEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C 1615459676 IJLYDBZAGSBUGG-MRRJBJDNSA-N 394.501 0.540 30 10 GCEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)cn1 1618399492 CMGZYCCXJMBDJF-INIZCTEOSA-N 398.471 0.810 30 10 GCEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCC2CC2)CCO1 1620356993 ORZMYICRYVLAEG-MRXNPFEDSA-N 388.472 0.946 30 10 GCEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)[C@H](O)c3cccnc3)CC2=O)cc1 1631937105 ZEWPJPWJUJJJSF-HHXXYDBFSA-N 380.404 0.517 30 10 GCEE COC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCCOC1 1634982084 IORSQKDILBUIDI-JKSUJKDBSA-N 395.481 0.968 30 10 GCEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1636223581 CAXZDKACYMTEOW-UZLBHIALSA-N 396.447 0.757 30 10 GCEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2CCNC2=S)CC1 1641036357 LAUVOTWLDYZFLR-UHFFFAOYSA-N 380.514 0.943 30 10 GCEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCCS1(=O)=O 1642198036 HNZRRXYDTDNPHO-AWEZNQCLSA-N 387.502 0.835 30 10 GCEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)CC2=O)cc1 1644154709 ZDVIYDVCAZEEHZ-RDJZCZTQSA-N 396.447 0.401 30 10 GCEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc3ccccc3c2)c(=O)n1CCO 1644183305 GAPDGKPWXYVGSN-UHFFFAOYSA-N 378.388 0.974 30 10 GCEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1 1662548663 DJLUXHHFJHZEFC-UHFFFAOYSA-N 384.849 0.870 30 10 GCEE C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1677571464 GOSANCAYKIEISM-MJBXVCDLSA-N 376.461 0.486 30 10 GCEE N#Cc1cn(CCNC(=O)NCc2ccc3c(c2)OC(F)(F)O3)c(=O)nc1O 1686865171 XLOVIVIITYZCFJ-UHFFFAOYSA-N 393.306 0.641 30 10 GCEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1690003342 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0.411 30 10 GCEE CC1(C)OB(c2csc(C(=O)N[C@H](CCC(N)=O)C(=O)O)c2)OC1(C)C 2284431578 LYFKHDJJHFGKGT-SNVBAGLBSA-N 382.247 0.496 30 10 GCEE COc1ccc(C#C[C@@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cn1 2295828452 LKCMHKWYXNBIFV-HUUCEWRRSA-N 395.481 0.803 30 10 GCEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCCCO)c1O 2330785549 FMKTVXPKVPWGIY-UHFFFAOYSA-N 379.442 0.985 30 10 GCEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2339666286 IHXBSPOICXDOCC-OAHLLOKOSA-N 387.546 0.858 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342054716 UKCGCRVLJSNJGX-CPUCHLNUSA-N 386.514 0.902 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 2359283076 GIIHKRGDEBHQFL-UTUOFQBUSA-N 383.279 0.318 30 10 GCEE CC1(C)OB(c2ccccc2C(=O)N2C[C@@H]3[C@H](C2)CS3(=O)=O)OC1(C)C 2361545523 SFTHWZKNFILMOI-IUODEOHRSA-N 377.271 0.855 30 10 GCEE CSCC[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2362343972 MGBCSXFRBZWUIT-JTQLQIEISA-N 383.279 0.655 30 10 GCEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCCCN 2362449232 SPFCDWLBDCMHNG-AREMUKBSSA-N 384.311 0.696 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H](CO)[C@@H]2CO)OC1(C)C 2362503233 NYQUEZLNFGYXII-YPMHNXCESA-N 382.291 0.648 30 10 GCEE CN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 2363652119 JKDHBLKJEZXNBT-CLCXKQKWSA-N 384.473 0.428 30 10 GCEE CC(C)(C)OC(=O)N1CC(n2cc([C@H](N)C#CC3(S(C)(=O)=O)CC3)nn2)C1 2367802669 DEBLHECVTCGTTE-CYBMUJFWSA-N 395.485 0.650 30 10 GCEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3CC[C@@H]3S(C)(=O)=O)c2)OC1(C)C 2368619108 PSHCGYFLQJOOAT-KGLIPLIRSA-N 380.275 0.686 30 10 GCEE C#CCN(CCO)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2375982226 BAHHUUOGYCKIGA-MOPGFXCFSA-N 382.457 0.927 30 10 GCEE CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 47282575 ZTHBWIBIOYYEMN-UHFFFAOYSA-N 377.875 0.868 30 10 GCEE C=CCNC(=O)CN1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 52304806 LPTSZVUATFSYQP-UHFFFAOYSA-N 378.448 0.241 30 10 GCEE C[C@@H](C(=O)N1CCC(CNC(=O)CC#N)CC1)N1C(=O)c2ccccc2C1=O 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C=CCN1C(=O)C(=O)N(Cc2nc(-c3ncccc3-n3cccn3)no2)C1=O 350479809 NWRSLHQAPUZYMF-UHFFFAOYSA-N 379.336 0.794 30 10 GCEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 366183913 RYSARCIXNKGBCC-GFCCVEGCSA-N 387.458 0.590 30 10 GCEE C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 378427533 IORSYWPVOIIXKY-ZBSNKRKSSA-N 378.429 0.700 30 10 GCEE CN(C)C(=O)C1(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 411906829 ATTSUVFBIHEWDY-AWEZNQCLSA-N 375.498 0.667 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@@]1(C)CN 423203841 AEQBGMLMRLQGOQ-JLTOFOAXSA-N 387.459 0.789 30 10 GCEE COC[C@@](C)(CNC(=O)c1cc(C#N)cn1C)NC(=O)c1cc(C#N)cn1C 434270177 PPSWCGSEWSFYMH-LJQANCHMSA-N 382.424 0.672 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@](C)(c3ccccc3)C2)CC1 459890414 WYXJBQIMFTYXRG-QFIPXVFZSA-N 398.507 0.623 30 10 GCEE CS(=O)(=O)c1nccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 485752629 SLQRCQFSXCIWQS-OAHLLOKOSA-N 385.449 0.730 30 10 GCEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CSCC#N)CC3)C2=O)n(C)n1 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385.428 0.356 30 10 GCEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1760197214 XXYJFXMXLLGDQG-VQTJNVASSA-N 388.468 0.543 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2([S@@](C)=O)CC2)CC1 1760270686 WDEGMXYAJNXOQW-AREMUKBSSA-N 377.514 0.717 30 10 GCEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCS(=O)(=O)NC)CC1 1760382951 CBSGRILDTJGKKU-CQSZACIVSA-N 387.506 0.708 30 10 GCEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760445381 IEZXJKVYOIBUSP-CABCVRRESA-N 390.488 0.531 30 10 GCEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1760516539 PZAWONSRFBOLPI-AGIUHOORSA-N 382.490 0.179 30 10 GCEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCn2nc(C)nc2C1 1760557232 FEXYZQUXCAFDFX-UHFFFAOYSA-N 391.501 0.752 30 10 GCEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1=O 1853774891 GBXXLQHSLIRGCK-UHFFFAOYSA-N 375.328 0.979 30 10 GCEE C=C(C)CN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)[C@@H]1C 1854648893 RLRBQRWWTCFLTG-UONOGXRCSA-N 376.482 0.909 30 10 GCEE C=CCCC(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1854976927 RVYNSDBVHSFFMF-MRXNPFEDSA-N 398.529 0.428 30 10 GCEE N#CCCN1CC[C@@H](N2CCN(C(=O)COc3cncc(Cl)n3)C(=O)C2)C1 1855027319 HFXSBRUKWQDDRM-CYBMUJFWSA-N 392.847 0.168 30 10 GCEE Cn1cncc1C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855909576 MILJLXOQIFHTJE-INIZCTEOSA-N 393.451 0.640 30 10 GCEE C=CCN1C[C@H](C(=O)N2CCN(CCN3CCCC3)C(C)(C)C2=O)CC1=O 1856364957 VFOBSRREJFUUFZ-MRXNPFEDSA-N 376.501 0.566 30 10 GCEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1=O 1857154252 XYIYSBMUFFHXQK-WMLDXEAASA-N 380.452 0.952 30 10 GCEE CS(=O)(=O)N1CC(C(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857189422 RHCXQZKEBOWEQV-MRXNPFEDSA-N 396.513 0.411 30 10 GCEE C=CCOc1cn(CCNC(C)=O)c(CN2CCC(C(N)=O)CC2)cc1=O 1870386774 CWLGYWUVADMXNX-UHFFFAOYSA-N 376.457 0.247 30 10 GCEE C#CCO[C@H]1CCCN(c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)C1 2086861513 WTTZPVMMIGNKCC-YOEHRIQHSA-N 395.415 0.706 30 10 GCEE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)CC1 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RUPKGMMOKUYLFU-JTQLQIEISA-N 386.304 0.701 30 10 GCEE CN([C@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366762 KICZDVRAPYZTML-PJXYFTJBSA-N 384.332 0.886 30 10 GCEE C[C@H](CC(N)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267368902 PSYHUXZESLHYKR-SNVBAGLBSA-N 388.320 0.932 30 10 GCEE Cc1sc(C)c(S(=O)(=O)N(C)CC(N)=O)c1B1OC(C)(C)C(C)(C)O1 2267466544 CIACIXHTHSEJLX-UHFFFAOYSA-N 388.320 0.770 30 10 GCEE COC[C@@H](CCO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469155 RAZWKJLIVLRJOK-LLVKDONJSA-N 391.320 0.723 30 10 GCEE Cc1nc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267478360 XGLRIDDDIZDHGO-JTQLQIEISA-N 384.288 0.791 30 10 GCEE C=CC1(C=C)COCCN1C(=O)[C@@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2279211975 GGHYETXIJVXHJT-KKUMJFAQSA-N 382.457 0.687 30 10 GCEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(CCC#N)CC1)[C@@H](O)C(F)(F)F 2280086115 YBCZUPAYCCRBSY-NWDGAFQWSA-N 394.394 0.861 30 10 GCEE CN(C)CC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC1 2282329284 KQTHVCSROKTMHD-UHFFFAOYSA-N 384.311 0.092 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1OCC[C@H]1F 2282329539 NXLDYICFPXHKFZ-MNOVXSKESA-N 389.258 0.125 30 10 GCEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)c1ncon1 2282348439 LIMVEWMKLPZSME-VIFPVBQESA-N 383.239 0.142 30 10 GCEE C#CCN(C1CCC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349239 WDBJMHXOINNICL-UHFFFAOYSA-N 379.291 0.896 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@](C)(N)C2)n1 2282489801 HRXIHTIJYZTFBZ-MRXNPFEDSA-N 384.311 0.221 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC=CC[C@H]2CO)n1 2282492062 PNGSOGFZBFDBGQ-LBPRGKRZSA-N 383.279 0.031 30 10 GCEE Cc1nc(C(=O)N[C@@H]2CCC[C@H](O)[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282515956 YLDNMRYEHGGJSP-MDZLAQPJSA-N 382.291 0.755 30 10 GCEE CNC(=O)[C@@H]1COCCN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282521208 WIIYADDXRBYQCK-ZDUSSCGKSA-N 380.275 0.634 30 10 GCEE Cc1nc(C(=O)NC[C@]2(O)CCCNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282521518 ZVQPULGWXUBVMO-KRWDZBQOSA-N 381.307 0.595 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)[nH]n2)OC1(C)C 2282575734 HNRSMWULMCBRKU-NSHDSACASA-N 383.279 0.264 30 10 GCEE Cc1nn(C)c(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282580789 YLCJCBNTEFPHLD-LLVKDONJSA-N 381.263 0.068 30 10 GCEE CC1(C)OB(c2cnc(C(=O)N[C@H](CO)CCCO)c(Cl)c2)OC1(C)C 2282606302 PJTVSFCRSKINCB-LBPRGKRZSA-N 384.669 0.897 30 10 GCEE CN1C(=O)CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1=O 2282611551 MPNHMLHVHGPHOK-JTQLQIEISA-N 379.247 0.320 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)c1ccsc1 2282655356 OXLDKGBZBLEWJP-NSHDSACASA-N 378.263 0.639 30 10 GCEE C[S@@](=O)C1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2282685571 HINXALQURGJSAT-AREMUKBSSA-N 379.291 0.807 30 10 GCEE CC[C@@H](C1CC1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282840447 NJTMGKCBAOWIFW-LBPRGKRZSA-N 384.311 0.923 30 10 GCEE CN1CC[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282847540 AFIDRWZDRMKKFU-GFCCVEGCSA-N 384.311 0.044 30 10 GCEE COCC[C@@H](C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853809 JNHYVNUCBXLVOI-GFCCVEGCSA-N 387.311 0.670 30 10 GCEE CC[C@@](C)(CO)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282872763 BAXNSBKEPOBOHY-INIZCTEOSA-N 387.311 0.467 30 10 GCEE CCSC[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284371662 AFSILCJAOQNVKE-LLVKDONJSA-N 383.279 0.655 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@H](C(=O)O)[C@H]2CCOC2)OC1(C)C 2284479160 HFYDSIZXQWHMBE-ONGXEEELSA-N 382.247 0.662 30 10 GCEE CC[C@@H](C#N)S(=O)(=O)NC[C@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C 2334006191 SODRKFWUBGJKOM-XDQVBPFNSA-N 391.490 0.857 30 10 GCEE C=CCC1(C(=O)O)CN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2335402212 YKSAKWKPFIPJNL-NSHDSACASA-N 390.458 0.414 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339663079 PXIROOKYMUZPLL-IHRRRGAJSA-N 390.502 0.137 30 10 GCEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339676598 XMBZHHZKKZBTGQ-FZKQIMNGSA-N 386.514 0.902 30 10 GCEE 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C[C@H](C(=O)N1CCC[C@@H](C/N=C(/O)[C@@H](C)N2CCOCC2)C1)N1CCOCC1 329856738 YLYMUIPGBABOMD-KURKYZTESA-N 396.532 0.623 30 10 GCEE C=CCOC[C@@H]1NC(=O)N(Cc2cccc(N3CCCS3(=O)=O)c2)C1=O 348617190 BHLUBZZIJVTDRB-HNNXBMFYSA-N 379.438 0.850 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 368843272 PDYQWQSXPHRTJV-INIZCTEOSA-N 395.423 0.994 30 10 GCEE C=CCN1CC[C@H](N(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1=O 373991488 UKFCLHHZNISAJD-INIZCTEOSA-N 377.466 0.560 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 375740341 BBMZSVCBUODUIN-ZWKOTPCHSA-N 375.473 0.538 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 416369411 FXQWZQKQWYBGBE-UHFFFAOYSA-N 396.469 0.820 30 10 GCEE COCCNC(=O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C 425728348 VBHJHWFVWSMOLI-UHFFFAOYSA-N 397.229 0.447 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 425796256 OKCONGYBZMCDPD-FZMZJTMJSA-N 399.444 0.722 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 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C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)CN(C)C 513471304 ZSWYCFXFYGLHBP-HNNXBMFYSA-N 386.500 0.694 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)OC)CC1 535358190 JSWADDYFUJSXPE-UHFFFAOYSA-N 399.444 0.221 30 10 GCEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 549675898 USRRBTUKJKLUTQ-CABCVRRESA-N 399.517 0.802 30 10 GCEE C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1(S(C)(=O)=O)CC1 554286302 XFDDSULHGPOYRD-CYBMUJFWSA-N 377.470 0.751 30 10 GCEE C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H]1C(=O)O 569244084 PSAMHBLDHBYPRA-UKRRQHHQSA-N 385.424 0.171 30 10 GCEE CN1CCN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@@H](CN)C1 573668810 HFKZAKJUUDZXJZ-IBGZPJMESA-N 391.475 0.943 30 10 GCEE COC(=O)CC1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCC1 575126446 CZCVSUNITLCSGV-UHFFFAOYSA-N 379.438 0.829 30 10 GCEE CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 590991707 XIRGJPKNYLRHTG-QGZVFWFLSA-N 384.484 0.591 30 10 GCEE C[C@H]1CCNC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 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GCEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 618309173 COQQLDZYOVSQIZ-TZMCWYRMSA-N 386.495 0.846 30 10 GCEE C(#CCN1CCN(C[C@@H]2CCCO2)CC1)CN1CCN(C[C@@H]2CCCO2)CC1 671239779 OKWXHPSBVCWSJX-VXKWHMMOSA-N 390.572 0.583 30 10 GCEE C#CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 729266195 XDNLSLNSQYTDIS-ZDUSSCGKSA-N 393.421 0.186 30 10 GCEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N(C)CCOC)cc2C1=O 757332004 PZIWPXHUYBHJCF-UHFFFAOYSA-N 381.410 0.021 30 10 GCEE CC(=NNC1=NC(=O)C(=O)N1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 765596144 SNAYUBOCOYLJPK-UHFFFAOYSA-N 377.426 0.187 30 10 GCEE C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 773496995 OYBLUZUVARGUJW-UHFFFAOYSA-N 395.419 0.785 30 10 GCEE C[C@H](CC(=O)N1CC(F)(F)C[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 781330735 MCTMLJCUCIBOFN-MNOVXSKESA-N 387.408 0.732 30 10 GCEE C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1C)[C@@H]1CCS(=O)(=O)C1 783479661 FXRGOMICAGVCBD-CQSZACIVSA-N 392.433 0.369 30 10 GCEE C#CCN(C(=O)[C@H]1CC(c2cccc(OC)c2)=NO1)[C@H]1CCS(=O)(=O)C1 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380.510 0.968 30 10 GCEE COC(=O)N(C)CCN(C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 850605147 HGMNKIYFNZITSO-UHFFFAOYSA-N 387.440 0.363 30 10 GCEE COC(=O)c1sc(S(=O)(=O)NC(=O)[C@@H](C)CC#N)c(C(=O)OC)c1C 850735438 BRKVPMMSFUFAIT-ZETCQYMHSA-N 388.423 0.984 30 10 GCEE Cn1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(C(C)(C)C)n1 866729921 XZLMQWNGIVBIEH-UHFFFAOYSA-N 383.518 0.954 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 875604990 DGPPNYFYWQYAHX-ZDUSSCGKSA-N 393.390 0.404 30 10 GCEE Cc1[nH]nc(I)c1C(=O)N1CCN(C(=O)CC#N)CC1 896992384 DPIKFKXQBKZUII-UHFFFAOYSA-N 387.181 0.521 30 10 GCEE Cc1ccc(C(=O)NCCNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 900090434 DDCXQPSDMRHKQM-UHFFFAOYSA-N 382.291 0.573 30 10 GCEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCF)c2)c(=O)n1CC 901814359 KIDFZVJNWJXSRT-UHFFFAOYSA-N 377.445 0.125 30 10 GCEE C#CCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1cnn(C)c1 906550673 DFXLEMNKVNBZFM-CQSZACIVSA-N 376.486 0.443 30 10 GCEE C=C1[C@H](C(=O)N[C@@]2(CCOC)CCOC2)[C@H]1C(=O)N[C@]1(CCOC)CCOC1 907791644 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Cc1c(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)ccc(Br)c1C#N 425783612 PTJOCZILQNZSTN-ZANVPECISA-N 382.214 0.379 30 10 GCEE C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1C 440951822 DUMKCRHLHLAGPY-PBHICJAKSA-N 395.467 1.078 30 10 GCEE CNS(=O)(=O)NC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 458783106 GWVAYNXDPXQBNC-UHFFFAOYSA-N 381.458 0.295 30 10 GCEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 463343935 FRULTSDTUVZULJ-AWEZNQCLSA-N 399.476 0.919 30 10 GCEE Cc1nc(Cn2nnc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2C)no1 469787239 OEXGOZWNFORYBS-UHFFFAOYSA-N 393.411 0.555 30 10 GCEE N#Cc1ccc(OCCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 490520196 MJAGLYIHNYAJOI-UHFFFAOYSA-N 396.407 0.167 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 492458617 SUCVSZPNJIDKKQ-GOSISDBHSA-N 384.480 0.482 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2OCCOC)CC1 522317282 GZSCEDCXFPATEO-UHFFFAOYSA-N 391.472 0.236 30 10 GCEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 554634557 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IVKQNDNSNSKJOP-UHFFFAOYSA-N 385.280 0.049 30 10 GCEE CS[C@@H]1CC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267714767 MUYUMYRGIDNSOJ-VXGBXAGGSA-N 387.336 0.892 30 10 GCEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCNC2=O)OC1(C)C 2267723850 ZYQSTPGJXPYIQC-NSHDSACASA-N 386.304 0.604 30 10 GCEE CO[C@H]1[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2271138075 NBCQGBZGKHWTFO-CWSCBRNRSA-N 389.304 0.474 30 10 GCEE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)N1CC[C@H](C#N)C1 2278317009 QQJBVSCUMDRWEP-CYBMUJFWSA-N 390.506 0.986 30 10 GCEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CN)[nH]s2)n1 2281992416 NOVZITFKKJEKBD-UHFFFAOYSA-N 378.267 0.187 30 10 GCEE CCCS(=O)(=O)CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282046449 LGKCOKRBLLMZFO-UHFFFAOYSA-N 385.295 0.274 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3C[P@@](C)(=O)C[C@H]3O)nc2)OC1(C)C 2282172865 BQHOQGQDSLWNLI-UPINHGDLSA-N 380.190 0.847 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C2CCC2)C1 2282288022 IXMWNEUSIACSFG-UHFFFAOYSA-N 382.295 0.535 30 10 GCEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccc(O)nc1 2282308956 YLHKQJOKSAWREK-UHFFFAOYSA-N 381.223 0.016 30 10 GCEE CC[C@H](C[C@H](C)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282350968 UZNPBQWXADIQTH-NWDGAFQWSA-N 387.311 0.547 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)n1 2282409989 TXIKZUXBOLVCFT-SSKLVLDBSA-N 379.291 0.652 30 10 GCEE COC[C@@H](CO)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282496763 HEDOTAXGFCUMEE-OAHLLOKOSA-N 385.291 0.413 30 10 GCEE Cc1nc(C(=O)N2CC3(CCC(=O)N3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282516845 LPKFFXFRRXYQHO-UHFFFAOYSA-N 377.275 0.855 30 10 GCEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2C[C@@H]3OCC[C@@H]3N2)OC1(C)C 2282524518 DDURBCLKEXBKOW-SRVKXCTJSA-N 379.291 0.692 30 10 GCEE Cn1cc(CNC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)nn1 2282542487 FFDGTYQHHOJXBV-UHFFFAOYSA-N 380.645 0.431 30 10 GCEE Cn1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544758 GNVYGAVBSPZLBQ-LLVKDONJSA-N 383.279 0.026 30 10 GCEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)[C@H](O)[C@@H]1CF 2282583336 IPKLOGHPHFUICG-SGMGOOAPSA-N 385.266 0.871 30 10 GCEE COC(=O)C1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2C)CNC1 2282661775 RXKSUMSXFXYRGR-UHFFFAOYSA-N 380.275 0.601 30 10 GCEE CC1(C)C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]1O 2282835305 SBIMQZXHKFQMDX-ZIAGYGMSSA-N 382.291 0.819 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)n1 2282846395 JAMMRRNUSXNQQR-CHWSQXEVSA-N 384.311 0.268 30 10 GCEE C[C@H]1CC[C@@H](N)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282857446 ICYTZGCEJIZYDP-NWDGAFQWSA-N 384.311 0.220 30 10 GCEE CC(C)[C@H](O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861024 JLZYFURJRGCECG-RISCZKNCSA-N 387.311 0.403 30 10 GCEE C#CC[C@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282872421 WIMPQJICLCPAOM-INIZCTEOSA-N 379.287 0.789 30 10 GCEE C#CCN1CCC[C@@H](NC(=O)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 2284235421 JUTSIVQENYVJGO-MRXNPFEDSA-N 376.501 0.751 30 10 GCEE CCO[C@@H]1CN(S(=O)(=O)N2CC(C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C 2330588486 ATTYBCXMKKZHRJ-ZIAGYGMSSA-N 388.490 0.548 30 10 GCEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339669582 PXIROOKYMUZPLL-BFHYXJOUSA-N 390.502 0.137 30 10 GCEE CO[C@@H](CN)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2339879200 SKBHWNLCPIQBEU-LBPRGKRZSA-N 390.336 0.440 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3COC[C@@]3(CO)C2)OC1(C)C 2362502731 HUXICOBPMHAAOI-DIFFPNOSSA-N 380.275 0.523 30 10 GCEE CN([C@H]1CNC[C@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2369652459 NCJROHFTJORORR-CABCVRRESA-N 384.282 0.916 30 10 GCEE C#CCN(C)C1CN(C2(C(=O)O)CC(COC)(NC(=O)OC(C)(C)C)C2)C1 2374459432 AOOKWASMUPWULT-UHFFFAOYSA-N 381.473 0.763 30 10 GCEE CCOC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1C[C@H]2CCO[C@@]2(C#N)C1 2374746444 VHUBVCRQMSKVRS-XWIAVFTESA-N 383.445 0.985 30 10 GCEE C#CC(CO)(CO)N[C@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2379605251 HBIGTYUPTWBQKV-KBXCAEBGSA-N 384.473 0.956 30 10 GCEE C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1ccccc1Cl 25351409 CZAAAPBJJNWKPJ-UHFFFAOYSA-N 385.873 0.935 30 10 GCEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)ccc1Cl 186119054 VORJXMCOCALHEJ-ZDUSSCGKSA-N 382.873 0.797 30 10 GCEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)s1 254968060 LHYDZWJJVUAUFC-UHFFFAOYSA-N 386.502 0.639 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCc4ccnc(O)c4C3)CC2)nc1 297631599 CCYGGUWTORLXAM-UHFFFAOYSA-N 392.419 0.287 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)CCN1Cc1ccccc1 298212387 YOXRJGDXHCFHPJ-OKZBNKHCSA-N 382.464 0.737 30 10 GCEE Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)ncc1C#N 349478160 JNTVCWIZKBWVII-STQMWFEESA-N 386.499 1.064 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)CO 349482043 QIKKAUNZDBDUPD-QWHCGFSZSA-N 389.499 0.611 30 10 GCEE C[C@H]1C(=O)NCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 364490661 LMTLPRDBBPCBDK-LBPRGKRZSA-N 378.454 0.242 30 10 GCEE CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CC2 410729999 LJDYEBLQYPNMKV-IRXDYDNUSA-N 382.468 0.297 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)cn1 425802134 BKNLUGQVYGTKFY-OAHLLOKOSA-N 391.395 0.533 30 10 GCEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@@H](O)COc1ccc(C#N)cc1 441231172 KSGOLTDHCKTTEO-FGTAOJJYSA-N 388.420 0.723 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)OC)cc2OC)CC1 444969616 XHIVKSXISSCBQP-UHFFFAOYSA-N 390.440 0.934 30 10 GCEE CS(=O)(=O)N1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462080782 OPRHJXGLSCUDHN-UHFFFAOYSA-N 389.441 0.638 30 10 GCEE COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1C 470923497 MDAFGLKVNNSOSS-SMDDNHRTSA-N 382.380 0.487 30 10 GCEE N#C[C@H]1CN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCO1 538387550 QJAZSBALXYOKDM-BZSNNMDCSA-N 383.452 0.519 30 10 GCEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1C 544848318 RUGGGEUQSMIKIU-UHFFFAOYSA-N 389.437 0.589 30 10 GCEE Cc1cc(NC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n(CCC#N)n1 548632163 XVZWWBBQBQSFJO-UHFFFAOYSA-N 396.455 0.993 30 10 GCEE C[C@@H](C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)n1cnc(C#N)n1 552261764 ORLKSMZQAGXJDP-RYUDHWBXSA-N 394.482 0.599 30 10 GCEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(C)(C)O)c1 568533355 RMBLFCJKIFRMTQ-LBPRGKRZSA-N 389.499 0.658 30 10 GCEE C[C@H]1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CCO1 577865437 ASHADGQRWVOCEA-QWHCGFSZSA-N 387.483 0.676 30 10 GCEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 580457705 HQHPLQKVADWNAV-UHFFFAOYSA-N 385.449 0.746 30 10 GCEE COCCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)c1 581736702 FUHGMXOZAHTDSI-HNNXBMFYSA-N 387.483 0.582 30 10 GCEE CN1CCN(CCCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 585721039 NBCXLRDHHIJXNB-UHFFFAOYSA-N 375.448 0.457 30 10 GCEE CN1CCC(N(C)CCN(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586861892 CICXJOPLRWLUIV-UHFFFAOYSA-N 389.475 0.798 30 10 GCEE COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(C#N)cc1F 586862489 YKUWOLLGJMSZAE-HZPDHXFCSA-N 379.388 0.250 30 10 GCEE COc1cc(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1C#N 589331355 LEZCCCXASNTUQA-UHFFFAOYSA-N 398.423 0.944 30 10 GCEE CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)NCc3ccc(CC#N)cc3)C2)CC1 592342902 OXYOGTAXFVCVCW-FQEVSTJZSA-N 397.523 0.996 30 10 GCEE CC1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 592427827 LVSDCJXLQWTUAF-UHFFFAOYSA-N 384.436 0.920 30 10 GCEE CN1CC[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)S1(=O)=O 592617517 AEWXINUSEDGLKE-ZDUSSCGKSA-N 379.829 1.370 30 10 GCEE N#Cc1ccc2c(c1)CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 594232795 FYIFSGUVKVRAGQ-UHFFFAOYSA-N 375.410 0.691 30 10 GCEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CC3(F)F)cc1 594489357 ZOHZMUAPUMRRDM-ZDUSSCGKSA-N 391.421 0.908 30 10 GCEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C2)nc1 595206080 QGGGSUKMOZOBOZ-JXFKEZNVSA-N 384.436 0.696 30 10 GCEE CCc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)cn1 595964105 HJVIHGXAYHMFBH-UHFFFAOYSA-N 387.487 0.346 30 10 GCEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@](C)(C#N)C1 596304156 JHBOHNXRIWIXJV-QGZVFWFLSA-N 380.470 0.745 30 10 GCEE 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30 10 GCEE C[C@@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282417749 JYFCIWMNPPWPCB-IUODEOHRSA-N 385.291 0.147 30 10 GCEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCC(CO)CO)OC1(C)C 2282493131 RREIGXUDOZCTML-UHFFFAOYSA-N 385.291 0.006 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCO)CC2CC2)n1 2282496054 VKWWZVNSFCYHKF-UHFFFAOYSA-N 385.295 0.112 30 10 GCEE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282507367 GNJAMQWKPHTROW-IINYFYTJSA-N 389.254 0.145 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CN)C(F)(F)F 2282533999 CGNUWLZBQKAMFB-VIFPVBQESA-N 376.188 0.586 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CO)O[C@H](C)C1 2282584251 CGHUUWBJDOYVOV-PWSUYJOCSA-N 382.291 0.973 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H](N)C[C@]23CCOC3)OC1(C)C 2282619940 YJYBQYHYXICVSG-DIFFPNOSSA-N 379.291 0.775 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2c[nH]c(=N)s2)n1 2282832826 RYTBVDDGAFZEFI-UHFFFAOYSA-N 399.307 0.067 30 10 GCEE 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380.466 0.957 30 10 GCEE C#C[C@@H]1COCCN1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 839194809 IVCAVJCDCQZTAY-GOSISDBHSA-N 388.443 0.242 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 839597198 DKSBMBABBGHQGA-CYBMUJFWSA-N 386.387 0.859 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 845933810 HCBJABMSISELAZ-CXAGYDPISA-N 388.486 0.587 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CN(C2CC2)C(=O)O1 848513762 KRMSXXZRHGJXFK-LBPRGKRZSA-N 379.394 0.606 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](CC)[C@@H]2CCCCO2)n1 848940441 XYMHGWVQANATBF-MSOLQXFVSA-N 390.484 0.955 30 10 GCEE C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCn3nccc32)c1 848953637 NKAWETQURYQFRX-CYBMUJFWSA-N 394.478 0.734 30 10 GCEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 852434885 UATCHNFCVKTTBT-GJZGRUSLSA-N 386.514 0.687 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nnc2cc(F)ccc2c1=O 853502355 YALNVJCCWLMIGG-GFCCVEGCSA-N 380.387 0.760 30 10 GCEE 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Cn1cc(C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)nn1 1854881547 SCZMNWCILHHFAS-INIZCTEOSA-N 395.423 0.366 30 10 GCEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(CCCC#N)CC1=O 1855562788 GYDUQQDCJMNJJS-UHFFFAOYSA-N 395.419 0.829 30 10 GCEE C#CC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 1855594713 BIBCNBADWCRNPA-AAEUAGOBSA-N 392.437 0.784 30 10 GCEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2csnn2)C1)[C@@H]1CCN(C)C1=O 1857045888 NSAHIBNDEPTMIZ-GXTWGEPZSA-N 377.470 0.636 30 10 GCEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nn(C)c3c2CCC3)C1)[C@H]1CCN(C)C1=O 1857228324 PIUVGRJRQMSXLL-PBHICJAKSA-N 399.495 0.616 30 10 GCEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnn3ccncc23)C1)[C@@H]1CCN(C)C1=O 1857274607 PSOKHLPRNDWOMY-GOEBONIOSA-N 396.451 0.437 30 10 GCEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 1889206034 CQOCRFWCDJMFRY-UHFFFAOYSA-N 390.572 0.977 30 10 GCEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@H]1CCOC1 1890720730 GAFYJTIBVYFYIP-UONOGXRCSA-N 386.470 0.175 30 10 GCEE C#CCN1CC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2024567185 YGMDNXMTMPZXHL-HNNXBMFYSA-N 389.477 0.690 30 10 GCEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC[C@H](C=O)C1 2060717703 DVLBQOPPKIPEHJ-QWHCGFSZSA-N 376.475 0.752 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2126907828 QDTCGLLYEUJTFV-RDBSUJKOSA-N 388.490 0.427 30 10 GCEE CN([C@H]1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1)S(C)(=O)=O 2172713189 IUPKPNLZRLFJQI-ZDUSSCGKSA-N 381.307 0.851 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1CO 2178904038 SWJFOOJBCSPUSO-STQMWFEESA-N 396.469 0.849 30 10 GCEE C#C[C@@]1(C)COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2228830960 WIARMAXFRFLLSD-DYVFJYSZSA-N 386.470 0.271 30 10 GCEE C#C[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244223358 UGFKYKTYXBAREO-GJZGRUSLSA-N 380.422 0.793 30 10 GCEE CNS(=O)(=O)CCN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2266995325 GXAQZAMGNACIEL-UHFFFAOYSA-N 389.308 0.064 30 10 GCEE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267464362 NTVXRYIMAMWZEP-PWSUYJOCSA-N 388.320 0.727 30 10 GCEE C[C@H](O)CCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267472006 XSHKRHPTEGNSDE-NSHDSACASA-N 390.336 0.975 30 10 GCEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CCCS2(=O)=O)OC1(C)C 2267485324 GIGJWMLKQSLEPY-SNVBAGLBSA-N 386.304 0.749 30 10 GCEE CO[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269032683 NRKOWYCOWWKVIF-JTQLQIEISA-N 391.276 0.425 30 10 GCEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N[C@@H](CCS)C(=O)O)C1 2271746147 ZBNMGLVZKCLYAN-QWHCGFSZSA-N 387.502 0.959 30 10 GCEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C(=O)O)c2cn(C)nn2)C1 2281242573 YPVYHUVZVQTQPN-JKIHBJTHSA-N 377.401 0.364 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1N(C)C 2281960091 UMLJJPGNHWVQRV-NWDGAFQWSA-N 381.307 0.810 30 10 GCEE C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281976237 YSVUXAMPNTXTIC-LLVKDONJSA-N 385.295 0.272 30 10 GCEE 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CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@]34CNC[C@H]3C4)c2)OC1(C)C 2282502272 ISFJFCLGJJQGHL-KDOFPFPSSA-N 378.303 0.767 30 10 GCEE C[C@@H]1CN(C)C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282515742 VRGMAXONIPOLKU-VXGBXAGGSA-N 381.307 0.891 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1([S@@](C)=O)CCC1 2282531351 HYXXCVQNIHLBCJ-AREMUKBSSA-N 381.307 0.750 30 10 GCEE C=C1CCC(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282840292 MHADHWQVYVIKBD-UHFFFAOYSA-N 382.295 0.891 30 10 GCEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2=CCOCC2)n1 2282842415 XZMFEFGRYCFMQR-UHFFFAOYSA-N 383.279 0.344 30 10 GCEE C[C@@H]1COCCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282842504 ZCEHIDGJAVNPRF-GFCCVEGCSA-N 385.295 0.519 30 10 GCEE Cc1ncc[nH]c1=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844996 LNBGMNLAQJTEFO-UHFFFAOYSA-N 396.303 0.905 30 10 GCEE C[C@@H]1[C@H](N)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856775 XXVARCZUCNUBJV-VXGBXAGGSA-N 384.311 0.220 30 10 GCEE CC[C@]1(O)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864951 NIXPUVMCKRAFKL-KRWDZBQOSA-N 382.291 0.916 30 10 GCEE C=CC[C@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282865451 UKECKZSAYSZOTA-LBPRGKRZSA-N 385.295 0.182 30 10 GCEE CC1(C)OB(c2nc(=NC(=O)Cn3cc([N+](=O)[O-])cn3)s[nH]2)OC1(C)C 2284017892 PQJVOZJNVIGYKL-UHFFFAOYSA-N 380.195 0.003 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CCOC[C@H](C(=O)O)C2)OC1(C)C 2284435117 IPHNZTUZJZAKFC-SNVBAGLBSA-N 382.247 0.616 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CC(CO)C3)ns2)OC1(C)C 2284472344 DNTGRVNZSYLXGJ-UHFFFAOYSA-N 382.247 0.398 30 10 GCEE C#CC1(N(C)C)CN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2290358234 FIZFYKTWBKVYLD-CQSZACIVSA-N 399.513 0.186 30 10 GCEE C[C@H](C#CC(=O)O)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2341131668 JJBHYEMGYIYARO-NEPJUHHUSA-N 388.442 0.003 30 10 GCEE Cn1nccc1C#C[C@H](N)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2341991965 UJVPVQDRNUKWEC-DZGCQCFKSA-N 382.486 0.523 30 10 GCEE 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Cc1cc(NC(=O)C(=O)N2CCC(Oc3cnccn3)CC2)nn1CCC#N 427400477 UVNGAFALVQDNLA-UHFFFAOYSA-N 383.412 0.904 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CC(C)C)C2CCCC2)CC1 459996502 ONGIXPZNSOSVBX-UHFFFAOYSA-N 378.517 0.860 30 10 GCEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 460930932 IYLRJNLPNKVODJ-KBPBESRZSA-N 394.505 0.897 30 10 GCEE CC(C)(C(N)=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462082676 CNPWOWIANMLZCM-UHFFFAOYSA-N 382.428 0.552 30 10 GCEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2OC)no1 464201306 YVSIOVSCAQCXPE-GFCCVEGCSA-N 394.409 0.858 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)CC1 467595524 RPJPVVOFQVDYHD-UHFFFAOYSA-N 375.429 0.245 30 10 GCEE N#Cc1ccc(N2CCC[C@H](Nc3ccc(C(=O)NCCO)nn3)C2=O)cc1 503278801 BWOFDLHKTDMVCE-INIZCTEOSA-N 380.408 0.678 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S[C@H](C)C(N)=O)CC1 512316305 MQIZHNPNIWLYPH-CQSZACIVSA-N 390.509 0.713 30 10 GCEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2cccc(C#N)c2)c1 530675229 VDVVFHAMWWGWBB-UHFFFAOYSA-N 386.433 0.764 30 10 GCEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4CCOC[C@H]4C3)C2=O)cc1 543687495 PCIIMXWAQQEAHN-MSOLQXFVSA-N 383.452 0.780 30 10 GCEE Cn1ncc2c(=O)n(CC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cnc21 552902500 MFTBRFFPLGAVCH-ZDUSSCGKSA-N 379.380 0.077 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 576823501 LPLBFLLGXNTUIY-CVEARBPZSA-N 381.454 0.893 30 10 GCEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2cscn2)CC1 586845559 KSIOFZGMXVFFHN-UHFFFAOYSA-N 386.437 0.845 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(Cc3nc[nH]n3)CC2)cn1 593182005 SJJYQZGXVVULJD-UHFFFAOYSA-N 378.400 0.607 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC(n2ccnn2)CC1 593572296 LHXUOFFJZPHIOJ-UHFFFAOYSA-N 375.410 0.962 30 10 GCEE N#CC1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1 593779452 JHOMODYQQVYHEN-CYBMUJFWSA-N 390.465 0.887 30 10 GCEE C=CCCn1cc(C[S@@](=O)CC(=O)N[C@@H](C(=O)NC)c2ccccc2)nn1 593937946 DUWJASOYGPGLEN-XGCWNURASA-N 389.481 0.706 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(C)(C)O)c1 594635023 BEUNZEJPGVRPPK-QWRGUYRKSA-N 375.472 0.315 30 10 GCEE C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H]1CCO 595199608 PMRQZUVDDVGIKU-RDJZCZTQSA-N 385.468 0.611 30 10 GCEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](Cn4ccnn4)C3)C2=O)cc1 596583160 LHMHFUMNBZGZBQ-ZWKOTPCHSA-N 393.451 0.982 30 10 GCEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(O)(CO)C1 597704544 CVDZFOGOHPXFEF-UHFFFAOYSA-N 385.214 0.664 30 10 GCEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2 598198315 CDIISYMPSUWZSC-OWCBBSPXSA-N 375.450 0.668 30 10 GCEE CN(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 600604688 JAJFDABDZFMGGO-UHFFFAOYSA-N 398.419 0.886 30 10 GCEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 600834473 VKKYHRZUAHTEBL-NWDGAFQWSA-N 388.424 0.962 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 604173087 IFASUKYDMLMFTH-UHFFFAOYSA-N 394.497 0.220 30 10 GCEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O)C(=O)OCC 734023291 QRKKRSVROVKVKG-GDBMZVCRSA-N 399.465 0.994 30 10 GCEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 742253638 VGZFMYKFBOIUDM-AMGRQBIBSA-N 384.436 0.719 30 10 GCEE COc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 773487718 JJPQFDLUCGUPCY-QWRGUYRKSA-N 392.416 0.242 30 10 GCEE COc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nn1C 775094582 RBHLDJRFJCOGOS-UHFFFAOYSA-N 377.426 0.886 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1)[C@H]1CCS(=O)(=O)C1 783479402 JYLDSYAFTAREQO-HNNXBMFYSA-N 376.434 0.785 30 10 GCEE Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)c2nccc3ccccc23)n(C)c1=O 792100251 DIADZVHRWYIMJS-AWEZNQCLSA-N 388.387 0.858 30 10 GCEE C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 802575708 VUYMEZYJNXEYHL-ZJUUUORDSA-N 395.362 0.457 30 10 GCEE N#C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCO1 804988440 JOXCNNUUKVHXTD-VIFPVBQESA-N 384.357 0.893 30 10 GCEE O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCN(O)C1=O 816694813 OGRUCEHKLMIEIA-MRXNPFEDSA-N 395.481 0.900 30 10 GCEE C#C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Cl)cc1 820578417 HVNWWDNSQXGFDY-OAHLLOKOSA-N 387.831 0.555 30 10 GCEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2cnnn2C)c1 822544214 XAGXWUWIOYVMDW-CYVLTUHYSA-N 376.442 0.809 30 10 GCEE C#CCN(CC(=O)N1CC[C@@H](OC)[C@@H](C)C1)CC(=O)N1CC[C@H](OC)[C@H](C)C1 823360681 FDOYYDLLHGOXFF-SEXKYXSUSA-N 393.528 0.688 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CC(=O)NC23CCCC3)c1 842907585 DJBXLFSMLOPILO-OAHLLOKOSA-N 376.434 0.956 30 10 GCEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 847578997 ARGVYRJPNOFGKM-ZDUSSCGKSA-N 382.417 0.027 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCC(=O)N[C@@H](C(=O)NC)c1ccccc1 849964065 ZHJKKUVKANQKEN-NVXWUHKLSA-N 375.425 0.604 30 10 GCEE NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1Br 854648927 MWKHQUYJGWKCBE-VIFPVBQESA-N 392.231 0.207 30 10 GCEE C#C[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 854767945 HNJXNXMAGKBKQB-ZDUSSCGKSA-N 377.445 0.882 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@H]3C2)c(F)cc1C#N 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0.740 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCCCCO)CC2)c1 913689124 AKKCCIDKPFPINN-UHFFFAOYSA-N 393.509 0.519 30 10 GCEE Cn1cc(Br)c(C(=O)N(CCC#N)CCN2CCOCC2)cc1=O 931263978 YMAZFHQEMOTOPY-UHFFFAOYSA-N 397.273 0.836 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 1119262686 NUHTWOAEFRTTQC-UTUOFQBUSA-N 377.363 0.056 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)C(=O)NCC[C@@H](N)Cc2ccccc2)n1 1119366059 FHDLUNKUSDQKDV-GOSISDBHSA-N 381.480 0.941 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC4(CCC4)O3)CC2)nc1 1119578508 ATCQYOOOLSYYIT-INIZCTEOSA-N 383.452 0.820 30 10 GCEE C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1120436439 ATSPABTYGYKAAR-QGZVFWFLSA-N 394.493 0.516 30 10 GCEE C=CCn1c([C@@H]2CC=C[C@H](O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1121592788 WFYFTKXKCQMCJW-SJORKVTESA-N 388.516 0.905 30 10 GCEE C#CCN(c1nnc(-c2ncc3ncccn23)n1CC)[C@H]1CCS(=O)(=O)C1 1121866037 RTCLIBCFNBWSPT-ZDUSSCGKSA-N 385.453 0.634 30 10 GCEE N#Cc1cn(CCC(=O)NCCNc2ncccc2C(F)(F)F)c(=O)nc1O 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C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)C1 1325177843 TYPUNSHMJCBVDU-XMTFNYHQSA-N 379.501 0.890 30 10 GCEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 1327355529 VLKAUVXPJQYPDE-VLIAUNLRSA-N 398.467 0.149 30 10 GCEE C[C@@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCC(F)CC1 1327985976 FZALJWUKUQDPQY-FYJIZNBXSA-N 380.420 0.662 30 10 GCEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)N1Cc3ccc(C#N)cc3C1)C2 1329154527 SWNWJKCILABESM-OXJNMPFZSA-N 383.404 0.439 30 10 GCEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)CC2)cc1 1329908026 CUZPUHIKGQIIEY-IPMKNSEASA-N 382.464 0.574 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@@H](n1cccn1)C(F)(F)F)C1CCN(C)CC1 1333135362 BOMYFCZTPGJBMT-CQSZACIVSA-N 385.390 0.659 30 10 GCEE N#CCN1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CC(F)(F)C3(F)F)CC1 1333141111 FMTQSBYIFGNICT-CQSZACIVSA-N 376.354 0.984 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1338869836 QLLBELCPGVOOAJ-KGLIPLIRSA-N 390.513 0.439 30 10 GCEE 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C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@@H]1CCCO1 1567814963 XHXPDNSNGNDRDR-XHSDSOJGSA-N 375.400 0.025 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](OC)C1 1572970608 MRIUTAUZKCFPIA-WCXIOVBPSA-N 381.517 0.897 30 10 GCEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccnc1OCC#C 1574455499 FDWYYKJMYKLOCA-NXHRZFHOSA-N 381.432 0.995 30 10 GCEE C=CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1577862281 XMFNUHFSBTUPCS-XLAORIBOSA-N 379.501 0.653 30 10 GCEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1587878902 JCYOPUXVCYFHHL-UHFFFAOYSA-N 381.502 0.685 30 10 GCEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1594857737 PHPJGUIRMUTOJI-UONOGXRCSA-N 393.517 0.970 30 10 GCEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595788534 BUZPCMCMICGRRW-KGLIPLIRSA-N 395.485 0.691 30 10 GCEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCc3nnc(O)n3C2)cc(OC)c1OC 1598245121 LOXGNGRXDDOMLG-PWSUYJOCSA-N 387.396 0.953 30 10 GCEE 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C#C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)c1ccc(Br)cc1 1636542171 SOCJOHIIEGERSR-GWCFXTLKSA-N 391.229 0.431 30 10 GCEE CN(C)[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(Cl)c1 1641967693 GRNCRCKVMLOEDB-AWEZNQCLSA-N 375.816 0.893 30 10 GCEE CC1(C)OC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](c2ccccc2)O1 1644781491 ASOXKYDVBZGNEP-GDBMZVCRSA-N 384.392 0.830 30 10 GCEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3CCN(S(N)(=O)=O)CC3)C2)nc1 1645084685 CCIJTQHLIITBFE-OAHLLOKOSA-N 392.485 0.272 30 10 GCEE C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645268039 YQMVMLSWLZIHPB-YEWWUXTCSA-N 391.449 0.698 30 10 GCEE N#Cc1cn(C2CN(C(=O)Cc3ccccc3N3CCCC3=O)C2)c(=O)nc1O 1648790406 HSBIRZQJWSFORT-UHFFFAOYSA-N 393.403 0.573 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)c1 1652552086 IJWXTGSEGXMFDL-TZMCWYRMSA-N 386.495 0.846 30 10 GCEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1664345847 VDKCUMDQBYXIBP-VIFPVBQESA-N 396.284 0.515 30 10 GCEE 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C[C@@H]1O[C@H](C)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1C 588871274 RNPMLDBQJXTCOO-ZXFNITATSA-N 398.463 0.800 30 10 GCEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](CNC(C)=O)C1 593536300 QDZTYHMGTIQWEE-CQSZACIVSA-N 379.438 0.882 30 10 GCEE CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593581118 MWQYSZSSDVEIMJ-CQSZACIVSA-N 379.438 0.976 30 10 GCEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c1 594630179 KITXANCZYFGVQW-SWLSCSKDSA-N 399.494 0.365 30 10 GCEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCO[C@@H]3CC3(F)F)CC2)c(F)c1 595154190 SOCWKAYTLMIPCE-OAHLLOKOSA-N 396.369 0.886 30 10 GCEE CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC2(COC2)C1 595961319 ACQDYQMLSBOSGT-OAHLLOKOSA-N 391.515 0.040 30 10 GCEE C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C#N)CCCCC2)C(=O)N1c1cnn(C)c1 597313503 WNDLVZJAMFYTPK-UKRRQHHQSA-N 386.456 0.620 30 10 GCEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@]23C[C@H]2COC3(C)C)c1 600761822 SEFRVXPAWJNXFG-BLLLJJGKSA-N 399.494 0.676 30 10 GCEE CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]1C 600766910 NUMCYCWXBYXXKF-ZYHUDNBSSA-N 375.476 0.234 30 10 GCEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)C1 627734912 GPMWNMZSQSAFST-CYBMUJFWSA-N 377.466 0.908 30 10 GCEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 643684373 MZZYJXZBTFFXGX-AWEZNQCLSA-N 388.472 0.285 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 644785111 YWQHBXHYVZPJHQ-BIVLZKPYSA-N 398.525 0.803 30 10 GCEE C=CCCn1cc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)nn1 655472731 ZCMJNGMRMWJVDP-GOSISDBHSA-N 393.411 0.797 30 10 GCEE CC1(C)OB(c2cccc3c2CN(C(=O)CNS(C)(=O)=O)C3)OC1(C)C 713230775 AMTBZERYRYGJFV-UHFFFAOYSA-N 380.275 0.377 30 10 GCEE COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)NCCN(C)C)S2)cc1 730271022 HSIAYKIAAUCSQA-AWEZNQCLSA-N 377.470 0.685 30 10 GCEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)CC3CC3)CC2)n1 760686740 QSFBMBNMUBJBLZ-UHFFFAOYSA-N 377.470 0.610 30 10 GCEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)CC1(C#N)CCC1 771070083 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C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 848285959 YCAPCKXYKFMOCM-LTIDMASMSA-N 380.510 0.968 30 10 GCEE C#CCOc1ccc(NC(=O)C(=O)NCCC2(CS(C)(=O)=O)CC2)cc1 850528444 HKHDLMJGEQZJLS-UHFFFAOYSA-N 378.450 0.968 30 10 GCEE C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C)C1CCOCC1 850687923 KVEBDELUAJYTFD-OAHLLOKOSA-N 393.465 0.386 30 10 GCEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C1CCOCC1 851826971 DBCVHIYMKQXLSJ-AWEZNQCLSA-N 386.495 0.644 30 10 GCEE CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1 852326268 NAWCVCPAVDVMJM-NRFANRHFSA-N 398.511 0.171 30 10 GCEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 854766869 XCTWCYUNZNKJMC-MRXNPFEDSA-N 378.450 0.400 30 10 GCEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(OC)c1 855463790 IRHDQFYRAHHAKV-QCPHZMBFSA-N 387.392 0.942 30 10 GCEE C#CCN(c1nnc(-c2cn[nH]c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 859029043 XEDQHYYNCCLCMC-OAHLLOKOSA-N 392.485 0.722 30 10 GCEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC 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C=C1[C@@H](C(=O)N[C@H](COC)[C@@H]2CCCO2)[C@H]1C(=O)N[C@H](COC)[C@@H]1CCCO1 907850479 SSDRFXIYZJZITF-LMMHAMTPSA-N 396.484 0.409 30 10 GCEE C#CCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 913980787 GHRRSKGFVXYHHA-UHFFFAOYSA-N 378.498 0.834 30 10 GCEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CCC2=O)cn1 930426823 OQPQCYAEQFUOKC-MRXNPFEDSA-N 393.451 0.779 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 930770544 YWINEDXJHMSPKI-ZKXLYKBJSA-N 396.484 0.505 30 10 GCEE C=CCc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)C[C@H]2CCO)c(OC)c1 932316549 NBKIVVCBNCTCBT-SJORKVTESA-N 399.509 0.645 30 10 GCEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H](N(C)C)C2)cc1 1118374784 WBYFULBZIRLQMM-NFAWXSAZSA-N 392.481 0.767 30 10 GCEE CNCCCC(=O)N1CCC(NC(=O)C(=O)NCC2CCC(C#N)CC2)CC1 1118483421 XXFGYMSMYJYFFA-UHFFFAOYSA-N 391.516 0.539 30 10 GCEE C=CCn1c(CSC(F)(F)F)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1121596266 ODZVMADAHYFFOU-VIFPVBQESA-N 398.436 0.556 30 10 GCEE 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CC1(C)OB(c2ccc(S(=O)(=O)NCC3[C@@H]4CNC[C@@H]34)s2)OC1(C)C 2267711776 PSRUGKXSNBCOKR-GHMZBOCLSA-N 384.332 0.791 30 10 GCEE CSC[C@@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267718886 ZNXCCLGSCORXJP-SNVBAGLBSA-N 390.340 0.486 30 10 GCEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@@H]2C(=O)O)OC1(C)C 2269027911 GCYNFCFLKVZCMX-QWRGUYRKSA-N 387.288 0.940 30 10 GCEE C#Cc1c(NC(=O)[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O2)cnn1C 2279860068 YIQSSSYEAODRGW-ILXRZTDVSA-N 376.413 0.743 30 10 GCEE C[C@H](CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)S(N)(=O)=O 2281762550 IGDVEQFNEIGPTE-SNVBAGLBSA-N 386.254 0.532 30 10 GCEE Cc1nc(C(=O)Nc2nnc(CCN)o2)c(B2OC(C)(C)C(C)(C)O2)s1 2282024378 ZYVJJRXXQDSRFW-UHFFFAOYSA-N 379.251 0.887 30 10 GCEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CN[C@@]3(CCOC3)C2)OC1(C)C 2282031066 NPCQQVJJVNJVPU-DIFFPNOSSA-N 379.291 0.693 30 10 GCEE CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282034326 GPJMBDYQWJYGPP-NSHDSACASA-N 383.279 0.119 30 10 GCEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC3(CNC(=O)N3)C2)OC1(C)C 2282331461 NTEPSNYVJVUVIR-UHFFFAOYSA-N 399.303 0.103 30 10 GCEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(CO)CCOC3)cc2)OC1(C)C 2282333336 NDEWICVGLKHDPL-QGZVFWFLSA-N 383.275 0.416 30 10 GCEE C[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)nn3C)C[C@H]12 2282333812 SXIXGNFIBOTSTF-FRRDWIJNSA-N 381.307 0.996 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CO)CC1CC1 2282413597 GXZILDRTGXHTHG-LBPRGKRZSA-N 385.295 0.159 30 10 GCEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C)C1 2282494199 XBTMCNFFXSHDAZ-UHFFFAOYSA-N 382.291 0.587 30 10 GCEE COC(C)(C)CN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282495133 IFQDAMHVVLHGMR-UHFFFAOYSA-N 387.311 0.765 30 10 GCEE Cc1nc(S(=O)(=O)N2CCO[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508540 XTEMVCVIJUTJBO-RYUDHWBXSA-N 383.279 0.190 30 10 GCEE CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282511007 HYADLYXZGVMVFK-MNOVXSKESA-N 387.311 0.729 30 10 GCEE Cc1nc(C(=O)NC[C@@H]2C[C@@H](CO)CO2)c(B2OC(C)(C)C(C)(C)O2)s1 2282511926 FIPJFAJLPIOJKD-RYUDHWBXSA-N 382.291 0.878 30 10 GCEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@]3(C[C@H](O)CO3)C2)OC1(C)C 2282540418 JQXGHAGRABNKRA-APPDUMDISA-N 380.275 0.808 30 10 GCEE CC1(C)OB(c2occc2C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)OC1(C)C 2282627772 PNRRSKYKNMOYBR-LLVKDONJSA-N 384.263 0.472 30 10 GCEE CCS(=O)(=O)C[C@H](C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282670053 ZTDGTYFJXJLHGC-NSHDSACASA-N 383.279 0.329 30 10 GCEE Cc1cc(C(=O)N[C@H]2CCO[C@H]2C(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282688660 XOKPONWOXFOEBG-CMPLNLGQSA-N 380.275 0.728 30 10 GCEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCO)CC(F)F)c2)OC1(C)C 2282827634 BDZDSWMNTFHTGK-UHFFFAOYSA-N 392.233 0.629 30 10 GCEE CC[C@@](C)(COC)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851247 ZKAYPIBWQCKIOD-INIZCTEOSA-N 387.311 0.813 30 10 GCEE Cc1c(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)cnn1C 2282851665 FJJWDDHAMSQNSJ-UHFFFAOYSA-N 381.267 0.562 30 10 GCEE C[C@@H](ONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O 2284410814 WRQAZLDWMTVSFS-SECBINFHSA-N 389.210 0.808 30 10 GCEE C[C@@H](C(=O)O)N1CC(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2284454464 UXLCHWMXYVAYKY-JTQLQIEISA-N 380.275 0.934 30 10 GCEE C#CC[C@H](NC(=O)C1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O 2286815479 CEFNYONDEDUFIT-HNNXBMFYSA-N 379.457 0.910 30 10 GCEE C#CC1(N(C)C)CN(C(=O)[C@@H]2[C@@H](OC)[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2290368362 LNFATIDWHNPVLN-KKUMJFAQSA-N 381.473 0.412 30 10 GCEE COC1(C#C[C@@H](N)[C@H](O)c2cn(C)nc2I)CCC1 2337576257 WLBQTDAWDUQVJQ-GHMZBOCLSA-N 375.210 0.958 30 10 GCEE CO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 2362561703 IGZLAAJIDHYNOF-WDEREUQCSA-N 382.247 0.614 30 10 GCEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H](O)[C@H](CC(=O)O)C2)OC1(C)C 2362567364 MQDKTMQEXKQHCL-MWLCHTKSSA-N 382.247 0.350 30 10 GCEE CC#CCN(CC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C(=O)OC(C)(C)C 2363126419 IYBIVQAAHGKGTK-SFHVURJKSA-N 378.429 0.447 30 10 GCEE CNC(=O)[C@@H]1CNCCN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364852494 JZCGHNJKSMVMGW-ZDUSSCGKSA-N 380.685 0.558 30 10 GCEE COCCn1cc(C#C[C@@H](N)[C@@]2(O)C[C@H](C)N(C(=O)OC(C)(C)C)C2)cn1 2365967260 OYEMNKKNMMIPFH-ZSZQSSIHSA-N 378.473 0.969 30 10 GCEE CN[C@H](C#Cc1cnn(C)c1)[C@H](O)c1cc(I)nn1C 2366050838 IWQRZHASCLKWJG-MFKMUULPSA-N 385.209 0.431 30 10 GCEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(=O)NC2(CCOCC2)C1 2366968563 CNDXNDHMHCHBLS-CQSZACIVSA-N 379.457 0.801 30 10 GCEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@H](C#N)N4CC[C@H]3C4)[C@@H]2C1 2368812467 GCHSBJZZABSOKD-QXKUPLGCSA-N 376.457 0.677 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 49618412 MSLCXNLZSMFRNW-UHFFFAOYSA-N 393.509 0.929 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCC(C)C)CC2)c1=O 77442587 KRPZVZOSLLWTJP-UHFFFAOYSA-N 377.489 0.165 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 105265431 YYDMVYALSUOAIG-IBGZPJMESA-N 398.507 0.790 30 10 GCEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)CN3CCCC3)CC2)c1 128606339 QSNYCBQXZCGYJN-UHFFFAOYSA-N 390.509 0.572 30 10 GCEE CC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 193883881 CPHCXNHYKPYSGW-MRXNPFEDSA-N 387.459 0.946 30 10 GCEE C=C1[C@H](O)[C@@]2(O)OC[C@@]34[C@H](C[C@@H]5C(C)=CC(=O)[C@H](O)[C@]5(C)[C@@H]23)OC(=O)C[C@@H]14 257591119 WBBVXGHSWZIJST-RONQHESVSA-N 376.405 0.086 30 10 GCEE biogenic CC(C)c1nc2n(n1)C[C@H](N/C(=N/C1CCOCC1)NCC(=O)N(C)C)CC2 262354014 ZILDMBMPHVPJAX-OAHLLOKOSA-N 391.520 0.519 30 10 GCEE CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 265410950 DYENEZMKLBABEE-SUQMRRJOSA-N 380.470 0.671 30 10 GCEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 273451384 TZWWCWOIXAATGH-OAHLLOKOSA-N 395.481 0.853 30 10 GCEE CN1CCN(S(=O)(=O)c2cccc(N=C(O)N3CC[C@H](N(C)C)C3)c2)CC1 328912324 HDXXEVMORLHHQJ-INIZCTEOSA-N 395.529 0.804 30 10 GCEE O=S(=O)(CC/N=C(/O)N1CCO[C@H]2CCC[C@H]21)NC[C@H]1CCCCO1 330285672 ZGDFMKJMXFSHJB-KFWWJZLASA-N 375.491 0.642 30 10 GCEE CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 363882225 FFOCYGZXCUTNJU-AWEZNQCLSA-N 381.396 0.060 30 10 GCEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cn2)C[C@@H](C)O1 409563048 URWYCHGLNHKTPC-FMKPAKJESA-N 395.485 0.254 30 10 GCEE CCOc1cc(C)nc(N2CCN(C(=O)C(=O)N3CCC(C#N)CC3)CC2)n1 410429874 DLFBZINNFXPBHH-UHFFFAOYSA-N 386.456 0.595 30 10 GCEE C[C@H]1CCNC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 415613432 AGRNQYRUPZXOEG-SMDDNHRTSA-N 386.843 1.450 30 10 GCEE CCC(CC)(CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)O 424493544 OGFMTSMFWTWVHO-UHFFFAOYSA-N 387.440 0.609 30 10 GCEE COC(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460717666 QMBLAELOVSEIEC-UHFFFAOYSA-N 382.380 0.489 30 10 GCEE C=CCNC(=O)CN1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 485710458 SHONWSQNUCQBLD-IBGZPJMESA-N 381.480 0.973 30 10 GCEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C3CC3)C(=O)C2)CC1 501886742 KTKUXYSEPZWLEX-INIZCTEOSA-N 387.509 0.764 30 10 GCEE COc1cc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)nn1C 526138156 DBCIKXVPRDNQIN-UHFFFAOYSA-N 382.424 0.978 30 10 GCEE 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387.502 0.203 30 10 GCEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)c1=O 853572369 PUPBVHTXFMIXMV-VXGBXAGGSA-N 390.362 0.153 30 10 GCEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1)c1cc[nH]n1 856483024 RKTDWTXXXWACCR-MGPLVRAMSA-N 388.371 0.965 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 860803203 QQDJWPDMFCZVEP-MELADBBJSA-N 390.444 0.803 30 10 GCEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)CS(=O)(=O)N(C)C)cc1 861156447 NEORQKHMKKPDND-LBPRGKRZSA-N 390.483 0.588 30 10 GCEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)c1 863837568 UFTJDNHTUFFSRD-INIZCTEOSA-N 375.450 0.481 30 10 GCEE C#C[C@H](NC(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)[C@@H]1CCCO1 875325950 UXXARRGCGZIPRX-IRXDYDNUSA-N 377.485 0.387 30 10 GCEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 882773445 NWSBRLAJUSEDKQ-UHFFFAOYSA-N 375.443 0.768 30 10 GCEE C=C1[C@@H](C(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)[C@H]1C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 887923151 PBNXYORLABVPCA-VSJSMKOKSA-N 386.540 0.609 30 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COC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1233854562 YOABXVRNKDQYBS-RWMBFGLXSA-N 381.433 0.885 30 10 GCEE Cc1ccc(CC[C@H](C)NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)o1 1258383930 QBSVFSHITUNBIM-ICDILTBESA-N 388.424 0.668 30 10 GCEE C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)C1 1261322001 RAHKWJSFUHZGAR-ZWKOTPCHSA-N 378.517 0.417 30 10 GCEE C#Cc1ccc(NC(=O)C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c(Cl)c1 1262727723 XWFRBEBFPNZXHW-UHFFFAOYSA-N 383.857 0.800 30 10 GCEE C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(C)CCC(=O)NC1 1263339846 VFVKRVCZRCIZHN-LJQANCHMSA-N 390.488 0.317 30 10 GCEE C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCN1C(=O)CNC1=O 1282639122 PNGJEZHKTXOZHX-ILXRZTDVSA-N 376.457 0.923 30 10 GCEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)=O 1282698411 USBVOMXVTFKUAC-VQHPVUNQSA-N 378.473 0.184 30 10 GCEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1286430648 PPZBHNGQKTYFMJ-NGEICVOHSA-N 385.468 0.622 30 10 GCEE C=CC(C)(C)C(=O)N1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1291755945 BFPAFBBKNLDOSI-ZFCANOHDSA-N 380.485 0.984 30 10 GCEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1299274814 PCEUSTYDYZWFOF-UHFFFAOYSA-N 381.440 0.803 30 10 GCEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1301297317 PFZQRZCNAHFNBF-HNNXBMFYSA-N 397.545 0.913 30 10 GCEE Cn1c(=O)[nH]c(N2CC(O)(c3ccc(Br)cc3)C2)c(C#N)c1=O 1307173748 AYADXFGMGAPCOG-UHFFFAOYSA-N 377.198 0.416 30 10 GCEE CCNC(=O)c1cccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1318715034 BVMOYZVVMHMAKW-FBMGVBCBSA-N 385.424 0.762 30 10 GCEE C#CCN(C(=O)C(=O)NCc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1321716462 YGARWAUEWRSHBH-INIZCTEOSA-N 376.478 0.877 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1323475624 LHLXMFTVFMXOFS-UONOGXRCSA-N 396.440 0.358 30 10 GCEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ncnc3ccsc23)CC1 1325157682 MEKSIICBGWURKB-CYBMUJFWSA-N 385.449 0.201 30 10 GCEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(OC)c(Br)c1 1325498277 PTYJGPHVWUZWBE-LBPRGKRZSA-N 381.226 0.935 30 10 GCEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)ccc1OC 1325717629 PQFYYCSWMGBYFN-OWCLPIDISA-N 386.452 0.955 30 10 GCEE N#CCC(=O)N1CCN(C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 1326754152 AQJFZPAVHAWJSU-MRXNPFEDSA-N 383.452 0.586 30 10 GCEE CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1329343043 BCTJSFNELDHYMV-ROUUACIJSA-N 386.452 0.567 30 10 GCEE CN(C)[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccsc1 1329968985 GHGHIQYQZXNUQD-JKSUJKDBSA-N 375.498 0.666 30 10 GCEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 1332657239 AVXFQHYFPMTBKA-HOTGVXAUSA-N 386.408 0.103 30 10 GCEE C#CCN(C(=O)C(=O)N[C@@H](C)COCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1334463936 HPHMSCDPZRRLRR-DOTOQJQBSA-N 398.525 0.737 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnnn2[C@@H]2C[C@@H]3CCCCN3C2=O)n1 1335099512 YVAPCAFZFIIMSI-DLBZAZTESA-N 398.471 0.482 30 10 GCEE N#C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2C(=O)Nc3ccccc32)CCN1C1CC1 1336111620 YQINBONFDIOPBC-GDBMZVCRSA-N 381.436 0.427 30 10 GCEE C#CCC1(O)CCN(c2nnnn2Cc2c(Br)cnn2C)CC1 1336122490 VJIADAVPTLCAFW-UHFFFAOYSA-N 380.250 0.572 30 10 GCEE C=C1[C@H](C(=O)N2CC[C@]3(CCOC3=O)C2)[C@H]1C(=O)N1CC[C@@]2(CCOC2=O)C1 1336353653 YGMQIUKNNMRDSQ-WZBLMQSHSA-N 388.420 0.120 30 10 GCEE C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1336390493 GTTQDHMVRXXPJL-RFQIPJPRSA-N 378.429 0.755 30 10 GCEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NC)CC1 1338753434 BYOBWRVASLZWIM-OAHLLOKOSA-N 380.489 0.620 30 10 GCEE C#CCN(C(=O)C(=O)NC[C@H](C)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1338759970 NCDZEAFQNKGCMT-AWEZNQCLSA-N 381.473 0.999 30 10 GCEE C#CCN(C(=O)C(=O)NCCOCCF)C1CCN(C(=O)OC(C)(C)C)CC1 1338779318 ULCZMYAPZKENOS-UHFFFAOYSA-N 399.463 0.950 30 10 GCEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1338869464 IKMDWQOVBXCCNC-IHRRRGAJSA-N 381.502 0.478 30 10 GCEE C=CCn1c(N2CCO[C@@](C)(C(=O)OCC)C2)nnc1C1(O)CCOCC1 1339008442 UFCUYFOZDYHHKH-QGZVFWFLSA-N 380.445 0.621 30 10 GCEE C=CCn1c([C@H]2CCc3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1340309107 PNKSSOVTQNEMQD-RDJZCZTQSA-N 392.463 0.689 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 1341546392 IWFIOLPBKRBIKT-QZNHQWIBSA-N 379.457 0.821 30 10 GCEE C=C(C)Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](C(=O)OCC)C1 1342027345 MFYMPKCLHGCMCL-CVEARBPZSA-N 393.488 0.579 30 10 GCEE C=CCn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(C)CCC(=O)NC1 1342057384 SPNJABZGHVBOME-SUMWQHHRSA-N 383.518 0.891 30 10 GCEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCC(CNC(C)=O)CC1 1343762253 DZDLCNLSAORZNQ-SJORKVTESA-N 376.505 0.944 30 10 GCEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1343879026 KKQAEJSMXKOSOG-JKSUJKDBSA-N 378.477 0.199 30 10 GCEE C=C[C@H](O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@@H]1CCOC1 1344209967 ILTPEJSQTHAGIJ-HOTGVXAUSA-N 390.488 0.872 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CNC(=O)C1CC1 1344465700 MIBRCBRRHFRIFC-XBVQOTNRSA-N 377.485 0.847 30 10 GCEE C#CCn1ccc(CN(CCOC)c2nnc(C[C@H]3CCCCNC3=O)n2C)n1 1355228529 SAARWOJCMLQNKT-MRXNPFEDSA-N 399.499 0.757 30 10 GCEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC(OCC)C1 1358999131 FUTHCUGCMBKHRZ-UHFFFAOYSA-N 375.473 0.904 30 10 GCEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)C)CC1 1359333420 XEDWDAPQFVPBDF-MRXNPFEDSA-N 397.545 0.913 30 10 GCEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1360475765 DMBPXNWXXPPTGD-QWHCGFSZSA-N 395.489 0.003 30 10 GCEE COC(=O)C1(C#N)CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1436234639 PQUIUQWUEPREOL-ZIAGYGMSSA-N 375.425 0.857 30 10 GCEE COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnc1Br 1453839676 BJDWJAOMRKLVOB-UHFFFAOYSA-N 394.185 0.417 30 10 GCEE COc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1459238469 NNXMKPXGPLPASX-GFCCVEGCSA-N 386.408 0.068 30 10 GCEE C#CCn1ccc(CN(CC)C(=O)CNc2ccc(S(N)(=O)=O)cc2F)n1 1467715267 HUBDDMFVJZGNHM-UHFFFAOYSA-N 393.444 0.763 30 10 GCEE CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)NCCn1cnc(C#N)n1 1470104475 SACOQEVUOQNUFO-GFCCVEGCSA-N 381.437 0.019 30 10 GCEE C#CCCCCC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1490546958 JXEOLMXZXOOUOD-TZZQWLEDSA-N 399.491 0.531 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)CC 1507547634 MXXBWFNOGSZRKD-KKUMJFAQSA-N 399.517 0.399 30 10 GCEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507608054 IMGQRBMZPGSXCO-SFHVURJKSA-N 390.465 0.573 30 10 GCEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519032510 BBFCYWYILYWDRP-HOTGVXAUSA-N 387.488 0.832 30 10 GCEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CC(F)(F)CO2)CCO1 1521129757 ODRVZVURGHOGCN-NEPJUHHUSA-N 377.355 0.888 30 10 GCEE C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@]2(C)C1 1521699344 RDFRRYKCSTVBQZ-IIMDRIAPSA-N 384.480 0.870 30 10 GCEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2CCOC)CC1 1523386197 CUFLYUGNOSXKEC-HRCADAONSA-N 389.504 0.588 30 10 GCEE C#CCN1CCN(c2nnc(C[C@@H]3CCOC[C@@H]3OCC)n2CCOC)CC1 1523660152 VMHYASUIMSUEOE-ROUUACIJSA-N 391.516 0.664 30 10 GCEE COc1ccc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1C#N 1533571811 NFBTXSGZQLMLTJ-UHFFFAOYSA-N 375.410 0.327 30 10 GCEE N#CCCN(Cc1ccccn1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1543040814 LPNDNAILBRBIMG-UHFFFAOYSA-N 384.421 0.933 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)NC/C=C/CNC(=O)OC(C)(C)C)C1=O 1546139513 JZDKYKALNKRHSW-VOTSOKGWSA-N 380.401 0.160 30 10 GCEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)CCO1 1555994055 FERJVUYGKNTOEW-UONOGXRCSA-N 386.412 0.881 30 10 GCEE N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1F 1557027983 GBQZILRVFFKHOL-UHFFFAOYSA-N 375.381 0.886 30 10 GCEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 1558060982 XAXUHDIYVKXJGP-JKSUJKDBSA-N 393.465 0.271 30 10 GCEE N#C[C@@]12CN(c3ncc(I)cn3)C[C@H]1CS(=O)(=O)C2 1559287501 UFYXULPSKAUWDH-KWQFWETISA-N 390.206 0.456 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588811142 ATLUWDZDYZEIMY-QKLQHJQFSA-N 389.500 0.467 30 10 GCEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1594679975 LXQBKVXZIXVLAV-DZGCQCFKSA-N 398.533 0.959 30 10 GCEE Cc1nn(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1[N+](=O)[O-] 1616329537 UZTKSDFBDIWARB-SWLSCSKDSA-N 381.414 0.195 30 10 GCEE C=C(CC)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1632832134 WHIDRZCXQJGPJI-UHFFFAOYSA-N 390.483 0.873 30 10 GCEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1 1636074292 CLFBRDMPLQDGHF-UHFFFAOYSA-N 396.490 0.881 30 10 GCEE N#Cc1cn(CCC(=O)N2Cc3cccnc3N3CCC[C@H]3C2)c(=O)nc1O 1636089433 VRHCPCLRDRCHRH-HNNXBMFYSA-N 380.408 0.617 30 10 GCEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)n[nH]2)c1C 1640825386 RRLOMGQJHTZAPS-KRWDZBQOSA-N 393.469 0.355 30 10 GCEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 1643593055 WONIDCKIWPRMMB-CYBMUJFWSA-N 390.506 0.584 30 10 GCEE Cc1nc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n[nH]1 1648164259 CEBYMUICKCIZFA-UHFFFAOYSA-N 391.439 0.931 30 10 GCEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 1656641268 ARGYNQFKHFZXPH-OAHLLOKOSA-N 399.538 0.974 30 10 GCEE C#C[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1662180802 CIAXXBKSKDKGGT-NSHDSACASA-N 376.228 0.898 30 10 GCEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H](O)C1 1671053373 WHJCRYFJXVZMOW-ZIAGYGMSSA-N 382.442 0.602 30 10 GCEE C#C[C@H]1COCCN1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1676568264 FWOKRVVFGJYARS-KGLIPLIRSA-N 392.456 0.250 30 10 GCEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)CCS2(=O)=O 1676632845 QZRBUZJRQICLKF-MITNXELNSA-N 383.470 0.831 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1679681897 ZKOYLMDUQHRXAX-IECFSIQFSA-N 396.484 0.220 30 10 GCEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CCN(C)S(C)(=O)=O)[C@@H]1CC 1689189353 NILYGHLAFZYMGB-NXOAAHMSSA-N 387.546 0.828 30 10 GCEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC 1690081285 CUGSUCCNWPUHLE-UHFFFAOYSA-N 382.515 0.643 30 10 GCEE C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1690284173 OPBLFNOUPNYWOG-BRFLTPSNSA-N 377.485 0.475 30 10 GCEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCN(C)C2)CC1 1705641174 VPYIGRXHYAUMBJ-NRFANRHFSA-N 395.511 0.086 30 10 GCEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1712143807 DIQKCUMFFDLVNZ-CQSZACIVSA-N 384.440 0.947 30 10 GCEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C 1719774836 ZRLDNPZNOSMKRP-AHCXZYCDSA-N 390.484 0.991 30 10 GCEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)O)CC1 1722447864 ODYDAYDXFCDJKP-MRXNPFEDSA-N 389.500 0.909 30 10 GCEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)CC)CC1 1722560091 PJMQUKZOPDVMBN-CYBMUJFWSA-N 384.506 0.523 30 10 GCEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1740568220 ZZTJOSYMPDGEJG-OLZOCXBDSA-N 382.490 0.003 30 10 GCEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN2CCC[C@H]2C)CC1 1740695397 PNFUHMXHJDKHAV-QGZVFWFLSA-N 380.500 0.975 30 10 GCEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 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382.515 0.526 30 10 GCEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760341920 DXUMDDJXUBQBEV-RBSFLKMASA-N 382.461 0.938 30 10 GCEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760407838 QYHJPZKFVJKWIV-CQSZACIVSA-N 392.504 0.970 30 10 GCEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC(=O)N2)CCO1 1770751799 NZBZURQGEUCCHL-NVXWUHKLSA-N 396.451 0.907 30 10 GCEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnco3)C3(CCCC3)C2=O)CC1=O 1854375936 JUZBFVDQNAWVHL-CQSZACIVSA-N 387.440 0.588 30 10 GCEE CO[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C[C@H]1F 1856751538 OCBGCGUXUNVMMR-OCCSQVGLSA-N 381.385 0.373 30 10 GCEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccn(C)n2)C1)[C@H]1CCN(C)C1=O 1857050145 DZPRERCKWZNADL-WBVHZDCISA-N 387.484 0.447 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(C#N)o2)[C@H](S(C)(=O)=O)C1 1877646533 FXCALRIWWYMKTE-WCQYABFASA-N 383.426 0.914 30 10 GCEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)nn1 1882730489 XJSFREWXVUARHM-NSHDSACASA-N 387.462 0.581 30 10 GCEE C#CCN(C(=O)C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1968929269 KVGDFMKECRBEOW-KRWDZBQOSA-N 390.461 0.904 30 10 GCEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@@H](C#N)C1 2118172453 VOHSHWLVTZSHAZ-KBPBESRZSA-N 388.490 0.644 30 10 GCEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(N)(=O)=O)CC1 2124706475 SVSVDYOIXWZLRG-CYBMUJFWSA-N 388.490 0.031 30 10 GCEE CCc1nn(C[C@H]2CCS(=O)(=O)N2)c(CC)c1B1OC(C)(C)C(C)(C)O1 2149721253 VGLPKTANFVIKGN-GFCCVEGCSA-N 383.323 0.999 30 10 GCEE CC(C)(C)OC(=O)N1CCN(c2ncnc(N)c2C#N)[C@@H]2CS(=O)(=O)C[C@H]21 2173784341 XCIXYGSPCNUKOL-VXGBXAGGSA-N 394.457 0.153 30 10 GCEE CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194126686 UHAKFTKQSDQPFG-WBMJQRKESA-N 387.311 0.467 30 10 GCEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](O)[C@@H](F)C3)c2)OC1(C)C 2255943036 QEIDTFBCQJAFAW-QWRGUYRKSA-N 377.268 0.751 30 10 GCEE C#CCN(C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)C1CSC1 2265105837 XDMAMXGEAJQGNU-KKUMJFAQSA-N 382.482 0.967 30 10 GCEE 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LDIFQNSYJLXYJT-ZWKOTPCHSA-N 384.429 0.781 30 10 GCEE CCN[C@@H](C#Cc1ccnn1C)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379794770 DILADDGYBAFSSA-HNNXBMFYSA-N 396.513 0.784 30 10 GCEE C[C@@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O 4731356 CZQLULNMKQAIQL-WCMOBSJKSA-N 381.425 0.221 30 10 GCEE biogenic Cn1ncc2c(=O)n(CC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc21 26020796 QKATVPJWAPFINU-UHFFFAOYSA-N 395.398 0.490 30 10 GCEE C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 171980813 ZPQLEKNTHUIOON-UHFFFAOYSA-N 375.494 0.865 30 10 GCEE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(N)=O)N2C=C(C(N)=O)C=C[C@@H]21 221905532 PIJQBUHWCOSEBC-NLDJYOPPSA-N 398.394 0.459 30 10 GCEE O=c1c(C=NN[C@@H]2CCS(=O)(=O)C2)c(N2CCCCC2)nc2ccccn12 254463824 SKRBPWYZKPHLEO-CQSZACIVSA-N 389.481 0.795 30 10 GCEE CON=C(C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)c1ccco1 255548525 VYDFJLGRYLNXHH-MRXNPFEDSA-N 378.473 0.884 30 10 GCEE CCOC(=O)CO/N=C(/C(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1cc[nH]n1 276610536 PNJYHVQHMNPVDE-WSRQSJKRSA-N 399.407 0.615 30 10 GCEE CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 298126046 WBEKUOWSNKGYTG-UHFFFAOYSA-N 390.425 0.364 30 10 GCEE CCn1c(O)nnc1C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 377571990 NZWQYXWVMQNLKU-UHFFFAOYSA-N 390.469 0.924 30 10 GCEE NCC#Cc1cncc(S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 398311805 SYPVUMRESYAQIC-RTBURBONSA-N 382.489 0.801 30 10 GCEE COC(=O)[C@@H](C)S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 405113882 PYOFKAMGDMFILF-MRVPVSSYSA-N 376.265 0.746 30 10 GCEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 425889094 MGUAGIHQNMUVEK-HOTGVXAUSA-N 376.457 0.346 30 10 GCEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl 427698169 SLBIWHLKYZQFFS-UWVGGRQHSA-N 394.815 0.723 30 10 GCEE COCC[C@@H](COC)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 461264900 PGAMFQAGMRQDSL-GOEBONIOSA-N 388.424 0.931 30 10 GCEE CCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481215877 RODWUVLMOLJMIA-HIFRSBDPSA-N 392.481 0.742 30 10 GCEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 508922588 RDMLAKQDLLDYMR-MCIONIFRSA-N 385.490 0.411 30 10 GCEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508944229 CKLJIIPUXGCURC-ZBFHGGJFSA-N 390.488 0.341 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCC)cc2)CC1 510593732 ASXCBUBARMZQIZ-UHFFFAOYSA-N 388.468 0.860 30 10 GCEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 528481941 URZKPIHHDRATSN-GOSISDBHSA-N 379.482 0.761 30 10 GCEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 530068574 OSTRAFHOKWEVRF-AHALITIFSA-N 395.506 0.737 30 10 GCEE Cc1ccccc1CC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 561938732 CQUSDUKVIDNJCZ-UHFFFAOYSA-N 381.440 0.555 30 10 GCEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCOC(C)(C)C)cc1 565228663 KPTOMVFHUUHNTQ-LBPRGKRZSA-N 389.499 0.970 30 10 GCEE CC1(C)COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 576002801 DJFWDUICPNDCNI-AWEZNQCLSA-N 399.494 0.724 30 10 GCEE Cc1nnc(CS(=O)(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)o1 585328647 LPMHRSLHRJIROJ-CQSZACIVSA-N 396.450 0.628 30 10 GCEE Cc1ccc(OCCN(C)C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 590974227 YBNTXJFFJXDOAE-UHFFFAOYSA-N 398.467 1.100 30 10 GCEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(Br)cc1C#N 593401712 FVDIXKLKYGAOEI-ZDUSSCGKSA-N 394.225 0.753 30 10 GCEE N#Cc1sccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 593532815 UHWRYAOMALTSPZ-UHFFFAOYSA-N 382.467 0.075 30 10 GCEE CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1 593579997 HKJKRIRPWBYJDN-CQSZACIVSA-N 394.497 0.649 30 10 GCEE N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 595203568 DEADSDMXJIPUGO-FQEVSTJZSA-N 383.452 0.365 30 10 GCEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCC2 595961794 MCVCUGPCDYCLPD-HUUCEWRRSA-N 399.494 0.412 30 10 GCEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 600101638 FAICNIYNDGOAKC-LBPRGKRZSA-N 382.417 0.424 30 10 GCEE COc1coc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1=O 600604136 DNJCIUVWXVTMKD-UHFFFAOYSA-N 389.364 0.233 30 10 GCEE CN1CCO[C@@H](CS(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 601291291 BWLOKYXJSXPUHM-QZTJIDSGSA-N 378.498 0.529 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 603815796 LZFYUCPMOIYAPC-OAQYLSRUSA-N 386.496 0.070 30 10 GCEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN[C@H]2C)cc1 626908873 HYBSEVHNADAMON-SWLSCSKDSA-N 380.470 0.298 30 10 GCEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 669038868 ZJCPOWRCEVGRKR-ZDUSSCGKSA-N 392.489 0.264 30 10 GCEE C#CCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 733246870 UHSCRQSBKIIOEE-UHFFFAOYSA-N 387.255 0.942 30 10 GCEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 776752166 HHJZCZKSTZUQCZ-HNNXBMFYSA-N 382.445 0.827 30 10 GCEE N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 781022408 ZZTQEPXSNGZASO-IAGOWNOFSA-N 393.465 0.245 30 10 GCEE C#CCN(C(=O)C(=O)Nc1ccc(-c2ncco2)cc1)[C@H]1CCS(=O)(=O)C1 783479002 HXYFAQJSNNFRGT-HNNXBMFYSA-N 387.417 0.929 30 10 GCEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)nn(COC)c2C)n1 788695078 CQLJCUOHEPFBBX-UHFFFAOYSA-N 395.485 0.771 30 10 GCEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 790931330 GQKBSUFQZFYEEU-NJSLBKSFSA-N 390.440 0.475 30 10 GCEE CCCN(C(=O)[C@@H](C)OC(=O)c1ccnc(C#N)c1)[C@H]1CCS(=O)(=O)C1 795970576 FWUIBERBIHONGP-DOMZBBRYSA-N 379.438 0.924 30 10 GCEE C[C@@H](C(=O)OCC(=O)NC[C@H]1CCN(c2ccccc2)C1)n1cnc(C#N)n1 798744098 OXNPUFWGZRVHMA-LSDHHAIUSA-N 382.424 0.897 30 10 GCEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(Nc1ccc(S(N)(=O)=O)cc1C#N)C2 804820032 XUKHQILFMCGMJK-GJZGRUSLSA-N 391.497 0.701 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccn(C)n3)c2C)n1 814416425 NLVIYUKYEYUQRP-UHFFFAOYSA-N 382.428 0.428 30 10 GCEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)s1 821797856 SPVAGRIIDFPLPE-LBPRGKRZSA-N 397.522 0.882 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)CC2CCN(C)CC2)C1=O 829573354 WTMKVSCPNMRCJN-UHFFFAOYSA-N 378.473 0.790 30 10 GCEE C#CCN(C(=O)[C@@H](C)CC(=O)OC)C1CCN(C(=O)[C@H](C)CC(=O)OC)CC1 831551037 KRGUNORHZIYSLG-CABCVRRESA-N 394.468 0.838 30 10 GCEE C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C1 832766032 WMUHPOWTRQBGKM-LSDHHAIUSA-N 392.481 0.752 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3nc(C(F)(F)F)cc3C2)C1=O 834413243 GWZTXYNLNRBTFF-UHFFFAOYSA-N 385.302 0.221 30 10 GCEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CCC#N)CC(=O)N2C(C)(C)C)cn1 835410565 VIONTYLYDZWRLM-GXTWGEPZSA-N 381.458 0.468 30 10 GCEE C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 838553126 RXINVMVFUYSRBB-RBSFLKMASA-N 381.477 0.453 30 10 GCEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 846340113 GVNQIBYVOIKRRP-MRXNPFEDSA-N 395.419 0.253 30 10 GCEE N#Cc1cccnc1NCCNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 858761656 FMOALTIUSQAZBG-UHFFFAOYSA-N 395.419 0.865 30 10 GCEE C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 862195585 SCAWXIUXKSXEIK-MRXNPFEDSA-N 381.436 0.908 30 10 GCEE Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 871807963 TZTOAGHWLFPUOK-CYBMUJFWSA-N 376.404 0.981 30 10 GCEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 874865292 NARXJUNXGILQFY-KOMQPUFPSA-N 389.477 0.729 30 10 GCEE C#CCCN1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 878424022 MBWLURVIGRMTEI-CQSZACIVSA-N 381.523 0.755 30 10 GCEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908278888 SIWMGVDUNWOYBG-HNNXBMFYSA-N 398.506 0.884 30 10 GCEE C#C[C@H](NC(=O)[C@@H]1C(=C)[C@H]1C(=O)N[C@@H](C#C)C1CCOCC1)C1CCOCC1 912693342 WCRPXBXSRNJERN-VNTMZGSJSA-N 384.476 0.878 30 10 GCEE Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1116734486 WGXRGWFQJUPKDB-AWEZNQCLSA-N 391.395 0.570 30 10 GCEE C=CCN(C(=O)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O)[C@@H](C)COC 1118646845 OZVNRHGYMFJODT-GJZGRUSLSA-N 386.452 0.951 30 10 GCEE CN1CC(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C1 1123934804 CZXMHRQBHNEXAZ-UHFFFAOYSA-N 390.509 0.836 30 10 GCEE Cn1nc(C2CCOCC2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124724243 NEFMSXDOUOXTIX-UHFFFAOYSA-N 385.428 0.998 30 10 GCEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C 1152041081 GDQXPFQHBDTRBP-ZDUSSCGKSA-N 384.458 0.919 30 10 GCEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 1152967391 GWMPQYAGVUQMFH-UHFFFAOYSA-N 394.453 0.484 30 10 GCEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](n3ccnn3)CC2)cc1 1168443723 ASNNPDMLNDELLH-OAHLLOKOSA-N 388.453 0.682 30 10 GCEE C#CCN(C(=O)C(=O)NCc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1261103013 IMSNGGJVQWKEDH-CQSZACIVSA-N 382.413 0.099 30 10 GCEE C=CCN(Cc1ccccc1F)C(=O)C(=O)NCC[C@@H]1CNCCS1(=O)=O 1262549348 RLKZLWZXZVDOLE-OAHLLOKOSA-N 397.472 0.233 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCSC[C@H]2C(F)(F)F)C1=O 1262815284 KWXMNQGBGIFMJY-VIFPVBQESA-N 379.360 0.860 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1286298284 HXAZKYHUFAJVFV-MELADBBJSA-N 393.513 0.553 30 10 GCEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1286432371 HIEOFXPCFLGPJC-MRXNPFEDSA-N 396.495 0.778 30 10 GCEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 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C[C@@H](CCS(C)(=O)=O)NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282188696 YZZXEXDIJRPNOR-LBPRGKRZSA-N 382.291 0.934 30 10 GCEE CCC(F)(F)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304663 NODMABKGKCTRJB-UHFFFAOYSA-N 394.253 0.828 30 10 GCEE CN(C[C@@H]1CCCN1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329468 MPTXDKKRPMEBID-LBPRGKRZSA-N 384.311 0.092 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2CC(F)(C2)C1 2282340420 FUKMBSCTOTVBCH-UHFFFAOYSA-N 385.270 0.842 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCCO1 2282345591 QBDMPFLGTKHRFU-LBPRGKRZSA-N 385.295 0.567 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H](O)C(F)F 2282350087 IKAGEOHQSMLYPH-SNVBAGLBSA-N 395.237 0.014 30 10 GCEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CCC(=O)N2)OC1(C)C 2282353652 WUACGLPKTGPOHI-GFCCVEGCSA-N 380.275 0.543 30 10 GCEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1[C@H]2CCO[C@@H]12 2282419800 YCRISAADAIJQNY-JTNHKYCSSA-N 383.279 0.033 30 10 GCEE COCC[C@H](N)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282553399 XQKKLELWUDFSAW-JTQLQIEISA-N 386.689 0.466 30 10 GCEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC1(CO)CO 2282582140 RYWOKNJFRPCCAL-UHFFFAOYSA-N 382.291 0.710 30 10 GCEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCCS(=O)(=O)C2)OC1(C)C 2282665605 QZLYTRAFMAEKKI-LLVKDONJSA-N 381.263 0.083 30 10 GCEE CC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CS(=O)(=O)C1 2282686180 PAXVDRXKVRNQLI-UHFFFAOYSA-N 380.275 0.545 30 10 GCEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1C[C@H](N)C1 2282859779 QOHPSPSNZILNKJ-HAQNSBGRSA-N 384.311 0.125 30 10 GCEE CNCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2282871428 GXOMOXYEBBIKJC-UHFFFAOYSA-N 384.307 0.882 30 10 GCEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](O)C[C@@H](C(=O)O)C3)s2)OC1(C)C 2284421784 SKAZXJGUFFEFLG-GHMZBOCLSA-N 381.259 0.955 30 10 GCEE Cc1c(C(=O)N2CSC[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2284425018 QHZYUDOSZHPOKJ-JTQLQIEISA-N 381.263 0.627 30 10 GCEE CN(C)CC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284431937 QXKDCUQIEJOKLD-LLVKDONJSA-N 383.279 0.577 30 10 GCEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(CC(=O)O)CC(=O)O 2284440233 JCVXJVDUITVUND-UHFFFAOYSA-N 383.231 0.967 30 10 GCEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1C(=O)O 2284457895 ZYSAUGFCLZAPGR-LLVKDONJSA-N 381.263 0.283 30 10 GCEE C=CC[C@]1(CO)CCCCN1C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2287715197 AIGLRYIDDFMLGR-XTDOFWJNSA-N 384.473 0.647 30 10 GCEE C=C(Cl)CONS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2313808918 MZICXDDHDYULRH-UHFFFAOYSA-N 378.647 0.077 30 10 GCEE CC(C)(C)OC(=O)N[C@H]1CCN(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2342039544 HNHDJMKJJMVZMK-GJZGRUSLSA-N 386.514 0.917 30 10 GCEE CC#CCN(CC(=O)O)C(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C 2363051286 WJBOCTWYMXVGEF-QEJZJMRPSA-N 384.429 0.572 30 10 GCEE CC1(C)OB(c2c(F)cc(NC(=O)CNS(C)(=O)=O)cc2F)OC1(C)C 2366931244 ZXRKLKUXMUCLKU-UHFFFAOYSA-N 390.217 0.752 30 10 GCEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN[C@H]4CCN3C4)cs2)OC1(C)C 2368745770 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30 10 GCEE COCCCS(=O)(=O)NCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 269241081 ALFKTCYSLRKJSR-UHFFFAOYSA-N 395.481 0.884 30 10 GCEE C=CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 273536565 RZXILBXXYOUDDQ-MRVPVSSYSA-N 391.243 0.995 30 10 GCEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276136310 DLVKPTHJLKEDSR-CQSZACIVSA-N 394.476 0.446 30 10 GCEE N#Cc1ccc(N[C@H]2CCc3ncnn3C2)nc1N[C@H]1CCc2ncnn2C1 276398553 GEBGONBZLXPHSK-KBPBESRZSA-N 376.428 0.990 30 10 GCEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)C1=O 281345790 DIWZKEIAQDVRGG-HNNXBMFYSA-N 389.408 0.422 30 10 GCEE Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 283730777 OCIMNQKMNOCVAG-KRWDZBQOSA-N 395.419 0.730 30 10 GCEE CO[C@H](C)c1noc(CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 290517177 XTEXQEOGVJZJLN-LLVKDONJSA-N 393.425 0.586 30 10 GCEE C#CCNC(=O)c1ccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)nc1 301240571 NTYLFBICAWFUMH-UHFFFAOYSA-N 383.496 0.825 30 10 GCEE CCc1cnc(CC/N=C(/O)N2CCC(NS(=O)(=O)NC)CC2)s1 331336424 IZGUOAQGFCTOEE-UHFFFAOYSA-N 375.520 0.680 30 10 GCEE COCCN(CCC#N)S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 367135560 MXWYBOCXJZOHCP-UHFFFAOYSA-N 382.490 0.511 30 10 GCEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(C)CC2)CC1 369190839 CIWDAJUVRJRVLP-OAHLLOKOSA-N 379.505 0.263 30 10 GCEE CC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCOCC1 372084645 WOKFFGUKAWTAMY-OAHLLOKOSA-N 383.412 0.898 30 10 GCEE COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 372982383 MARILUXSHGITIX-CQSZACIVSA-N 386.408 0.619 30 10 GCEE CNCc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 415069724 TVVUTYRVWCIUCR-UHFFFAOYSA-N 378.436 0.960 30 10 GCEE COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(C#N)cc1F 416648810 AZAYULAYSUKTRY-AWEZNQCLSA-N 383.401 0.281 30 10 GCEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c1 416660806 ISVWHGOOGZZYDF-HUUCEWRRSA-N 381.498 0.678 30 10 GCEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC12CCSCC2 422101862 QAXYXANSTAEARP-ZDUSSCGKSA-N 395.572 0.614 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2csc([C@H](C)OC)n2)CC1 439630185 BNACKMFSLOIWIN-ZDUSSCGKSA-N 381.502 0.980 30 10 GCEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cn1 460687123 AYPGROPFKVYRNX-CABCVRRESA-N 380.408 0.962 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)CC1 468145545 IBVDLJHVNBRBCT-UHFFFAOYSA-N 380.518 0.965 30 10 GCEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 469312800 YNUKESOUYUGUET-UHFFFAOYSA-N 390.465 0.137 30 10 GCEE CCOC(=O)c1c(NC(=O)N2CC(=O)N(CC)C2)c(C#N)cn1CCOC 484351349 ILTZOEWGQZHMTP-UHFFFAOYSA-N 377.401 0.836 30 10 GCEE C=CCCc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 504346442 VZIWJZILHPRIBA-OAHLLOKOSA-N 380.466 0.752 30 10 GCEE CN(CCCc1[nH]nc(N)c1C#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 534099711 YIIVBFYLDKYDMN-GFCCVEGCSA-N 382.424 0.385 30 10 GCEE COc1cccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550905223 IGGUPVNBUPOXNQ-UHFFFAOYSA-N 393.447 0.969 30 10 GCEE CS(=O)(=O)c1nccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 553145301 FOKMTAAJRYGISE-UHFFFAOYSA-N 385.449 0.710 30 10 GCEE CN(C)c1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 563664401 YCRMNHTVBGNGQR-UHFFFAOYSA-N 392.463 0.984 30 10 GCEE C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCCO)cc1 565216345 VJZHNIPQMBKKNM-CYBMUJFWSA-N 389.499 0.612 30 10 GCEE COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)nn1 567781402 DQJRCDNQGKTNFT-OAHLLOKOSA-N 389.437 0.908 30 10 GCEE CC1(C)COC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 570373436 WOUBNONCFACLAQ-MRXNPFEDSA-N 392.481 0.999 30 10 GCEE C[C@@H](CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(C)(=O)=O 578351800 QOLUDQPWWDKEGR-ZDUSSCGKSA-N 393.465 0.477 30 10 GCEE CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)O)c1 594633079 RFPVHKPTJYRZJG-GFCCVEGCSA-N 389.499 0.658 30 10 GCEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](OC)[C@@H]1CCOC1 595077283 QLKPAVZUBZVVQI-RHSMWYFYSA-N 391.424 0.690 30 10 GCEE CCN1CC[C@@H](N(CC)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 595129625 FRCOKQCEVSUFFJ-MRXNPFEDSA-N 395.467 1.329 30 10 GCEE C[C@]12COC[C@@]1(C)CN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)C2 595143543 QVDGVLIEJHZZOO-KDURUIRLSA-N 380.408 0.962 30 10 GCEE C[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@@](C)(C(F)F)O1 596103245 BATIZLCZOHNSHP-QGHHPUGFSA-N 398.414 0.526 30 10 GCEE COC(=O)C12CC(CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 598059931 PCWLKXKELLXOEZ-FFLHNBHYSA-N 377.422 0.389 30 10 GCEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](OC)(C(=O)OC)C1 599220447 LCXGIDXVDUOZLX-SFHVURJKSA-N 386.412 0.880 30 10 GCEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)C(=O)Nc1cccc(CC#N)c1 600021949 OXDJHLIQSDNFHK-HXUWFJFHSA-N 386.452 0.423 30 10 GCEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 609040738 RHKZBIDSDRCKFY-HNNXBMFYSA-N 393.513 0.477 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 680517280 KZIBIOUUVLGTHQ-UHFFFAOYSA-N 395.463 0.403 30 10 GCEE C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)sc1Br 717822394 JALHTYUPCWCKNA-SSDOTTSWSA-N 382.257 0.960 30 10 GCEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 729330559 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C#CCN(C)CCCNC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 847526703 BCCYJBRLNNHIQZ-HXUWFJFHSA-N 399.451 0.093 30 10 GCEE N#CCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 847579920 TYGCVJWXNSCPEG-UHFFFAOYSA-N 387.396 0.629 30 10 GCEE COCCCn1nc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1=O 849851496 DDFTUGJGKSJKCV-UGSOOPFHSA-N 378.429 0.880 30 10 GCEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC1(n2cnnn2)CCOCC1 850845061 XZSVNZWJTMRRNK-UHFFFAOYSA-N 390.425 0.254 30 10 GCEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c1 851040343 IHOUEBCUIXRKCM-CMPLNLGQSA-N 393.343 0.742 30 10 GCEE C=CCN(C(=O)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C(C)C 852917676 QIOOKYANCWLSOX-INIZCTEOSA-N 388.516 0.948 30 10 GCEE C#CCN1CCC[C@H](NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 890371464 VYESRSQYLQZNEJ-IBGZPJMESA-N 389.544 0.670 30 10 GCEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)C1=O 912177036 FODJVWKERVHUFH-SJORKVTESA-N 399.447 0.948 30 10 GCEE CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 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CC(C)(C)OC(=O)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1136672728 XCBGPRTYDJXDLN-CCEZHUSRSA-N 393.440 0.768 30 10 GCEE COC[C@@H]1CC[C@H]([C@H]2COCCN2CCS(=O)(=O)c2ccc(C#N)cn2)O1 1198042541 PISQDPBAERHCBZ-GVDBMIGSSA-N 395.481 0.622 30 10 GCEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1228517667 ZJAQPNZOGJKJLK-CFVMTHIKSA-N 394.472 0.849 30 10 GCEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCN3CCOC3=O)C2=O)cc1 1251842146 HKPVVXOWUZGXRB-HNNXBMFYSA-N 399.407 0.722 30 10 GCEE C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N(C)Cc1ccccc1 1261923720 CWHBMWVPXIFZLT-VQIMIIECSA-N 383.496 0.822 30 10 GCEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1286419326 SFHPVCZKLQHAPR-INIZCTEOSA-N 394.435 0.804 30 10 GCEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1286601854 PEPABTGFELKAEB-OAHLLOKOSA-N 390.488 0.809 30 10 GCEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1286726073 ASDXCYPKIXRTIS-PBHICJAKSA-N 399.517 0.802 30 10 GCEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCOCCS(C)(=O)=O 1286965870 VLNPSCZKDLIRSR-CQSZACIVSA-N 392.485 0.997 30 10 GCEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc2c(cnn2C)c1 1291866754 ZEOQWIXNKFCALS-IEAZIUSSSA-N 381.436 0.868 30 10 GCEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c(C)nn2cccnc12 1291871445 HPXHYEBEICJDGQ-WCVJEAGWSA-N 381.436 0.938 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1300308221 NLGUBWMLDCUCKX-CFAJVAMVSA-N 382.486 0.178 30 10 GCEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1300329612 RDQWVUIYFSIVJM-VGWMRTNUSA-N 396.513 0.895 30 10 GCEE CO[C@]1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCSC1 1303869201 KWHZZVDTEWPNPI-WBMJQRKESA-N 383.495 0.863 30 10 GCEE C#CCOCCC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1304078114 IDXKHMZEIJOIMX-CQSZACIVSA-N 380.441 0.895 30 10 GCEE C[C@H](C#N)CN(C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)C1CC1 1321276645 IPUWKBYCUHPBIJ-CYBMUJFWSA-N 396.455 0.948 30 10 GCEE 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N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 528410548 MSNIBDOIZBQDOU-CQSZACIVSA-N 389.481 0.924 30 10 GCEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cn1 545501921 ZSLAUHDZHSNNHB-INIZCTEOSA-N 392.419 0.811 30 10 GCEE CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 572507036 ZVHBKVMOJGFKNW-UHFFFAOYSA-N 398.467 0.023 30 10 GCEE C=CCNC(=O)CN1CCN(C(=O)C2CCN([C@@H]3CCSC3)CC2)CC1 573741068 MMSZUHRFQLSHDD-QGZVFWFLSA-N 380.558 0.650 30 10 GCEE Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 588524400 XGKDIBPZCAEEEO-CYBMUJFWSA-N 386.477 0.507 30 10 GCEE N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C1 592079160 ZTZAOTAVUMPTAJ-GOSISDBHSA-N 375.450 0.951 30 10 GCEE N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)ccc1Br 593712808 ZSVYZZUUUPVTHN-WEVHURDZSA-N 382.239 0.991 30 10 GCEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C[C@@H]12 596580676 JRBXGJSXYLXLMC-HZMVEIRTSA-N 375.450 0.999 30 10 GCEE N#Cc1cccnc1OC1CCC(NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 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O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1ccccn1 764975940 YPHXCDWWNUFDPS-HNNXBMFYSA-N 388.449 0.750 30 10 GCEE C#CCOc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 768265266 USMBPGBHHJOXFB-UHFFFAOYSA-N 379.482 0.393 30 10 GCEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc[nH]n1 772434812 ISSBQXFPCYXPCX-ZDUSSCGKSA-N 399.407 0.936 30 10 GCEE C#CCN(C(=O)Nc1ccc(OCC(=O)NC)cc1)[C@@H]1CCS(=O)(=O)C1 774038274 XEOBUKPLMGXDOY-CQSZACIVSA-N 379.438 0.466 30 10 GCEE Cc1cc(Cl)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O 774585214 IHYKGBKSYVEJGU-UHFFFAOYSA-N 386.817 0.064 30 10 GCEE C[S@@](=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782809595 XOOOCGONCNXUKD-RUZDIDTESA-N 379.829 0.831 30 10 GCEE N#Cc1cccc(N2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)n1 790383060 IDZXRHRRNHYGQA-HXUWFJFHSA-N 382.468 0.949 30 10 GCEE Cn1ncc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 807438808 BWBLAVHPIYLCOG-UHFFFAOYSA-N 384.787 0.781 30 10 GCEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)n1 809134174 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