smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCCC#N)cc1 7728251 GHVCQZQQKXRCOL-NSHDSACASA-N 369.399 -0.065 30 20 FBED C#CCN1CCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 128419515 FKGRRHOEALPBES-UHFFFAOYSA-N 360.439 -0.155 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nc2cnccn2c1=O 133640435 LIVWPYKSTQTWCT-LBPRGKRZSA-N 351.374 -0.279 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)c1 262284757 ZFYQPFDMHOTUIT-RISCZKNCSA-N 366.395 -0.088 30 20 FBED Cc1oc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(N)(=O)=O 268044391 RJFWNHMPFYSZOX-UHFFFAOYSA-N 370.431 -0.077 30 20 FBED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n[nH]c1=O 268352269 VENPXWCWTBPBJO-ZETCQYMHSA-N 366.403 -0.900 30 20 FBED CC(=O)NCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268775238 VKUSICZTEIROPJ-NSHDSACASA-N 352.416 -0.133 30 20 FBED C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCN(C(=O)OCC)CC2)C1=O 281155736 DHRJPJXGMQZCIM-ZDUSSCGKSA-N 374.463 -0.276 30 20 FBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCF 282772079 LOPFNEOVPMJZMX-QWRGUYRKSA-N 370.406 -0.185 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N(CCO)CC(F)F)CC2)nc1 297752893 LQPJKOMZLSQOIR-UHFFFAOYSA-N 367.356 -0.312 30 20 FBED C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330642392 RDCXJPFXQSHZGT-CYBMUJFWSA-N 363.418 -0.960 30 20 FBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)CCO1 410126410 YYQVIJVYYMFXDS-OCCSQVGLSA-N 359.379 -0.376 30 20 FBED N#Cc1cccc(C2(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 435576924 XNYZNJNWYJZRPG-UHFFFAOYSA-N 365.397 -0.053 30 20 FBED COCCN(CC#N)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 459536752 BJYZPRQUKINBPA-UHFFFAOYSA-N 353.467 -0.483 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCCO3)CC2)c1C#N 477055811 JRIHROSXBPYBAT-AWEZNQCLSA-N 374.445 -0.066 30 20 FBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 509351495 QXJCCQMNAXXLBK-KBPBESRZSA-N 359.496 -0.003 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[S@](=O)C3)CC2)c1C#N 530460777 SWKWAIZCHBGSBY-MCFWBGNESA-N 350.448 -0.047 30 20 FBED CNC(=O)[C@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)c1ccccc1 534978211 NBFTZWXTPYVFIE-CQSZACIVSA-N 355.354 -0.978 30 20 FBED Cc1nnc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c1C 537604510 KHIZTEPBFIALEC-KBPBESRZSA-N 351.432 -0.755 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1 572042402 MWQKXBDBELGIHQ-KBPBESRZSA-N 364.427 -0.003 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccccc2N)C1=O 614395075 XUEDKFGFYXIFJS-CYBMUJFWSA-N 366.443 -0.208 30 20 FBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1 672355330 IEHHPMZFBXMATB-CVEARBPZSA-N 369.462 -0.310 30 20 FBED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCC#N)cc1 731235028 OKZIYLOPQRCRLG-JTQLQIEISA-N 355.372 -0.455 30 20 FBED C#CCN1CCN(C(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)CC1 748814479 CDBHKRUXZGUSOZ-UHFFFAOYSA-N 356.492 -0.880 30 20 FBED C#CCCN1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 772156160 WGJCSWUSZFJQKB-UHFFFAOYSA-N 361.402 -0.139 30 20 FBED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cnc21 774290516 DCKPFKRGHZMWPH-UHFFFAOYSA-N 365.371 -0.357 30 20 FBED COC(=O)c1cc(C=NNC(=S)NCCN2CCOCC2)cn1C 790143802 WIBANWPSCBXMPM-UHFFFAOYSA-N 353.448 -0.058 30 20 FBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 799286493 ORBHHMHFPTXSOG-ZDUSSCGKSA-N 367.427 -0.268 30 20 FBED C=CCC(F)(F)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 815312403 VYEOIVVBXIOVBV-MRVPVSSYSA-N 354.331 -0.246 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)CC)C2)c1 836904450 XKBPIBGVZIOFEX-UHFFFAOYSA-N 370.452 -0.143 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COCC)C(C)C)CC1 894379445 NDCRYNDMXAYUOU-AWEZNQCLSA-N 360.480 -0.158 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccccc1 914822810 FEOGFQJGNLNCMQ-UHFFFAOYSA-N 369.399 -0.138 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 938204911 SIJKQTMMHHBJQC-MJBXVCDLSA-N 356.444 -0.271 30 20 FBED C#CCOc1ncccc1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 938961815 QFXFQCRSSUYCQR-YUELXQCFSA-N 370.409 -0.112 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939762384 QLLZKTQLBMRLIT-MJBXVCDLSA-N 363.414 -0.214 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@H](C)C2)nn1 940483252 JLUGOFTZIGHNHY-VXGBXAGGSA-N 358.406 -0.208 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 951094290 JRYAQAPAQPXWIW-XEZPLFJOSA-N 363.414 -0.263 30 20 FBED Cn1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O 962308979 WDEMIQXOTOPFGD-KGLIPLIRSA-N 355.354 -0.800 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2O)nn1 964280024 ZBPUHFXRANUNKA-YUELXQCFSA-N 364.450 -0.504 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnco2)C1 969186665 ZFXBOPABARLIFF-OLZOCXBDSA-N 356.338 -0.303 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCC(=O)N3)C[C@@H]2O)nc1 969348098 FATJYVSEXBZXSO-IMJJTQAJSA-N 370.409 -0.577 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(O)nc3)C2)nc1 970534011 QUMARVWPTKWYFE-CABCVRRESA-N 352.350 -0.221 30 20 FBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cnn(C)c1 982415872 AOBACPSZAQUWDC-FPMFFAJLSA-N 370.417 -0.084 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)[nH]1 985976666 VIDKHOLNKVPJNU-WVWOOGAGSA-N 355.398 -0.072 30 20 FBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 986675312 YAUSSHBBTVGJLM-XQQFMLRXSA-N 361.402 -0.605 30 20 FBED CC(C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 990841627 PKRXLQJJWFXMCL-KGLIPLIRSA-N 371.401 -0.179 30 20 FBED C=CC(C)(C)C(=O)N1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 994720458 QMOBBHYDFXIPKD-OLZOCXBDSA-N 360.418 -0.389 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)c[nH]1 1002130001 ITBQARURAXNSIR-KFWWJZLASA-N 370.413 -0.820 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCN2CCCS2(=O)=O)C1 1015721717 NMMGRSLXGOHFCP-ZNMIVQPWSA-N 357.476 -0.197 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3Cc4cccnc4C3)C[C@H]2O)c1 1023329327 GVMFWDCRHOYGFA-IAOVAPTHSA-N 365.393 -0.002 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)n3cccn3)C[C@H]2O)nn1 1023769436 RHAMLKBFBFOTRV-OUCADQQQSA-N 359.390 -0.777 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@H]2O)nn1 1023921797 IGULJZQGSBVYSJ-QHSBEEBCSA-N 363.418 -0.277 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@H]1O 1023940120 YLDKEVQAHAIKBN-YFCNSXCBSA-N 364.402 -0.294 30 20 FBED CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2O)nc1 1024268758 KKRCVTPNDNUXHU-HZPDHXFCSA-N 368.397 -0.037 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncnc3O)C2)c1 1024298859 MGXOVIKBMOWJDM-ZIAGYGMSSA-N 353.338 -0.826 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)c[nH]1 1024520638 GPVLHLXQUNGTRO-HUUCEWRRSA-N 367.365 -0.399 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2O)cc1 1024984706 MTKUKDQUNYWVHT-BNEJOLLZSA-N 371.437 -0.312 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2O)c1 1025554184 HBQDNAOPWFRIJV-HZPDHXFCSA-N 354.366 -0.015 30 20 FBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CN1CCCCS1(=O)=O 1026621900 LPEOGEHTFGQURY-UKRRQHHQSA-N 367.471 -0.212 30 20 FBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(Cl)c1 1041206829 ADICHGMZIJAXCF-RAIGVLPGSA-N 363.805 -0.201 30 20 FBED Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CN(c3ccnc(C#N)n3)C[C@H]1O)CC2 1041312259 LHEWLHCUKWCUIF-UXIGCNINSA-N 367.413 -0.447 30 20 FBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1042317779 HHWQTHBBKZIFLZ-ZIAGYGMSSA-N 367.446 -0.427 30 20 FBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1nc(C)c(C)[nH]c1=O 1042909042 FFHPOWJGXINILP-CHWSQXEVSA-N 369.385 -0.318 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1043246756 QQPHQQJWVFLTBN-MJBXVCDLSA-N 365.430 -0.865 30 20 FBED C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043629196 RPELTTYHLHKFCH-DDTOSNHZSA-N 366.385 -0.014 30 20 FBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)C2)ccc1C#N 1044373569 JZFQLXXSCJQMCI-ZNMIVQPWSA-N 357.414 -0.062 30 20 FBED Cn1cnc2cncc(C(=O)N[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]3O)c21 1044736281 MYVYVDBATHRPSC-KGLIPLIRSA-N 364.369 -0.391 30 20 FBED C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1c1ccc(C#N)cn1 1050461472 VALOMCGQOUTWOT-YPMHNXCESA-N 356.386 -0.069 30 20 FBED C=CCCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1058842593 NQVHTUKFCGIQET-UONOGXRCSA-N 367.446 -0.297 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(C(N)=O)[nH]1 1058859021 IMEXNPBKLYDJPU-RISCZKNCSA-N 364.402 -0.745 30 20 FBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1060016583 DTFZVVWYPWVPCA-GNRYUNBRSA-N 373.453 -0.096 30 20 FBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@H](CNC(=O)CSCC#N)C2)O1 1065297754 LWTFSECWYNKABJ-MGPQQGTHSA-N 370.475 -0.694 30 20 FBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2COCCN2c2ccnc(C#N)n2)C1 1066527148 URVLQOZUIMGWPE-FRRDWIJNSA-N 358.402 -0.416 30 20 FBED Cn1cc(CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2n2ccnn2)nn1 1070172190 RZOUGQFBJUZQHN-CABCVRRESA-N 366.389 -0.538 30 20 FBED COc1c[nH]c(C(=O)N2C[C@@H](NCC#N)[C@H](c3cn(C)cn3)C2)cc1=O 1070513406 LXXKAINTXWIUMY-SMDDNHRTSA-N 356.386 -0.162 30 20 FBED CC#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cncnc4O)C3)[C@@H]2C1 1070915185 QUVXCNPGCRBKTH-YUELXQCFSA-N 371.397 -0.075 30 20 FBED C=CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)CC1 1074623158 DUKUIPLOHJJDLZ-KKUMJFAQSA-N 370.446 -0.149 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)c1 1076855643 GBFTTXJGPCUHDN-LERXQTSPSA-N 352.416 -0.904 30 20 FBED C=C(Br)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COC(=O)N1 1083069298 QOWQCCBKHVOQDU-GARJFASQSA-N 360.208 -0.085 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)nc1 1083969030 QGMTZANXQGYMMO-BMFZPTHFSA-N 363.439 -0.728 30 20 FBED N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1087443991 QUPGIXVCWYKDDX-HUUCEWRRSA-N 367.413 -0.125 30 20 FBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C2)cn1 1090471086 LKTHGIAKUPUFRF-GHMZBOCLSA-N 357.292 -0.703 30 20 FBED 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CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 610677193 XVMYNZYIPHNMRB-ZDUSSCGKSA-N 368.463 -0.609 30 20 FBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 619749504 UAXZQFVXDJYTAX-TZMCWYRMSA-N 357.480 -0.121 30 20 FBED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@@H](C(N)=O)C2)C1=O 725772275 RWHJSDLQXIYXHG-CXAGYDPISA-N 357.370 -0.531 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](C(=O)O)C3)CC2)o1 738340090 MSXKHFOVBCEEON-ZDUSSCGKSA-N 363.374 -0.711 30 20 FBED N#CCN(CC(=O)O)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 739076930 FCCATYLUVNOLPY-UHFFFAOYSA-N 366.399 -0.081 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)OCC)C1=O 753083284 LZLYKPWUMXHYLU-VIFPVBQESA-N 355.372 -0.572 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](COC)C(=O)OC)c1 778506934 RNIHTTOCILIZMP-CYBMUJFWSA-N 354.384 -0.484 30 20 FBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NC1(C#N)CCC1 784233553 NPAQCHZHRQGCQK-SNVBAGLBSA-N 369.403 -0.807 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCCO1 809311876 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30 20 FBED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833219064 IZTDTEFEFURWLM-UHFFFAOYSA-N 352.435 -0.582 30 20 FBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835119122 GRMXPIQQZNJHFW-SUMWQHHRSA-N 364.402 -0.975 30 20 FBED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342439 CFCWUZDYZKXRJU-QGZVFWFLSA-N 351.403 -0.217 30 20 FBED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)c1 1842884230 KMWUADMUJIVWKH-UHFFFAOYSA-N 358.377 -0.003 30 20 FBED C=CC/N=C(/NCC(=O)N(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 262301414 NRQPOGYAENEUHG-QGZVFWFLSA-N 364.450 -0.484 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1=O 292381177 UKRALBYGKCWMBE-STQMWFEESA-N 362.430 -0.451 30 20 FBED O=C(N1CCCC1)[C@]1(O)CCCN(/C(O)=N/[C@@H]2CCS(=O)(=O)C2)C1 329005753 XNRUTYJTOZPGTL-DOMZBBRYSA-N 359.448 -0.463 30 20 FBED C[C@H](/C(O)=N/CCN1CCOCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329754723 XNSOGDIHCCXNDW-KSTCHIGDSA-N 351.403 -0.174 30 20 FBED 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30 20 FBED N#CCNC(=O)CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 553765434 CUNOAZIDOOYUPU-UHFFFAOYSA-N 366.399 -0.923 30 20 FBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)CC1 562695672 FWVDWMZKXFTMMV-ZMSDIMECSA-N 369.425 -0.169 30 20 FBED C=CCN1C(=O)c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2C1=O 568268048 QLFUNNYTXHCYPZ-IUODEOHRSA-N 368.393 -0.147 30 20 FBED C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 569238343 LVCKWPYGXFJUDK-JTQLQIEISA-N 361.445 -0.074 30 20 FBED Cc1nsc(N2CCN(C(=O)c3nc(N)nc(N(C)C)n3)CC2)c1C#N 572010401 PRVGQUNDQRMRGJ-UHFFFAOYSA-N 373.446 0.119 30 20 FBED CCN1C[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1=O 593825403 HKBRPSBIEPSBRT-ZDUSSCGKSA-N 364.427 -0.179 30 20 FBED CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(C(N)=O)CCOCC2)CC1 595728394 NDVUBIFNHRPBOO-AWEZNQCLSA-N 351.451 -0.697 30 20 FBED CN(C)S(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 596687499 NMNOAAREIUYIIS-HNNXBMFYSA-N 365.459 -0.209 30 20 FBED CN1CCN(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1=O 614821863 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1024358556 OXVOHJADCZOSSO-VNHYZAJKSA-N 358.398 -0.814 30 20 FBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccc(O)nc3)C2)[nH]1 1024713985 BFLVJQQJCBBWCC-ZIAGYGMSSA-N 355.354 -0.469 30 20 FBED C[C@]1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)CCC(=O)NC1 1025172901 DOWFNPBKBVIGNT-XNJGSVPQSA-N 359.386 -0.896 30 20 FBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1039680458 GLUVVCRHFCAWIK-MFWIUYSUSA-N 362.426 -0.469 30 20 FBED N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)sc1Cl 1040965977 ZUBJAQHAIGRZQB-SZEHBUNVSA-N 369.834 -0.140 30 20 FBED Cn1ncc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)c1C1CC1 1041084281 WHDLALMSXVCATD-ZIAGYGMSSA-N 353.386 -0.061 30 20 FBED COc1ccc(C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2O)nn1 1041156911 REWKZNOMRZVJBD-CHWSQXEVSA-N 358.333 -0.130 30 20 FBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)C2)ccc1C#N 1041299678 JKKFQQRAQJVUND-LBTNJELSSA-N 357.414 -0.156 30 20 FBED Cc1cnn(CC(=O)N2CCO[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)c1 1043678540 SMCJINRKFPDNFE-LSDHHAIUSA-N 353.386 -0.031 30 20 FBED COc1cc(CC(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)ccn1 1044527632 PJMBEMREGNQWGA-KGLIPLIRSA-N 354.370 -0.340 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccnc4c3CC(=O)N4)C2)nn1 1044803428 PXZMGCRSQHLZHD-OLZOCXBDSA-N 365.353 -0.783 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C(=O)N(C)C)CC2)C1 1046824069 NOEVUVXYCOLLOQ-OLZOCXBDSA-N 365.430 -0.865 30 20 FBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 1049176251 KFXLGYMKHHOZMR-ZDEQEGDKSA-N 353.419 -0.738 30 20 FBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)cn1 1055058507 BSVJNQLEEVNWSL-AGIUHOORSA-N 354.370 -0.373 30 20 FBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nnc(O)nc2O)n1 1055478526 CRUWLWOHJXCXPO-HLTSFMKQSA-N 354.330 -0.516 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057299213 RHLSTEKTTUYRBQ-BBRMVZONSA-N 365.434 -0.344 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(C(N)=O)[nH]1 1058875031 GFVBKFJZQOZQTH-RISCZKNCSA-N 364.402 -0.745 30 20 FBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1059645502 DADHGTZVTOJPTK-QLFBSQMISA-N 365.430 -0.586 30 20 FBED CO[C@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3n3ccnn3)nc2C1 1069957147 RTYISNMTMFEBLZ-GUTXKFCHSA-N 370.417 -0.385 30 20 FBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1069986989 NFPUWDJESUEPNG-XUJVJEKNSA-N 352.826 -0.102 30 20 FBED C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 1070258169 HXYUTKVJPLPYNC-UPJWGTAASA-N 352.826 -0.007 30 20 FBED Cn1cnc([C@@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@H]2NCC#N)c1 1070569037 NXZVCQBYKDKACG-XHDPSFHLSA-N 353.386 -0.365 30 20 FBED Cn1cncc1[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1NCC#N 1070657965 VOUKVWHDOMDYCB-CHWSQXEVSA-N 355.402 -0.132 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)CNC(C)=O)CC2)C1 1073527964 YOVSZXSMYGZVHL-CVEARBPZSA-N 364.446 -0.931 30 20 FBED Cn1cc(C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)ncc1=O 1077415462 TXJOPQSNMXOPEI-GDBMZVCRSA-N 353.382 -0.373 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]2O)cc1 1077493942 RDBHADPIOSXGIO-RCCFBDPRSA-N 371.437 -0.574 30 20 FBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1077977747 NGNYFQSCEAZDLC-CHWSQXEVSA-N 358.402 -0.250 30 20 FBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1078150879 VOPIEEPCVXLFCT-HUUCEWRRSA-N 356.382 -0.631 30 20 FBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@H]2OC)C1 1082111649 GHEWNLRWSLEQFT-CHWSQXEVSA-N 350.419 -0.290 30 20 FBED CC(=O)N[C@@](C)(C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)C1CC1 1090461633 KMZNTFNYOLCRLH-CKEIUWERSA-N 358.402 -0.681 30 20 FBED CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)CNC(N)=O 1090861320 SKZGMFVMWAGDQS-GHMZBOCLSA-N 352.782 -0.405 30 20 FBED C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1Nc1ccc(C#N)nn1 1090997115 NCTPSKTWWPJHSV-DGCLKSJQSA-N 356.390 -0.048 30 20 FBED CN(C)CCOCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1091047392 AYCNSXHMJAAQSO-DLBZAZTESA-N 359.430 -0.053 30 20 FBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2c(C)c(C)nc3ncnn23)C[C@@H]1O 1091092440 HMLUNFCWVVDZQJ-IIYDPXPESA-N 360.418 -0.266 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3CC)C[C@@H]1O 1091152510 BKHIZBMCWKIPQP-XQQFMLRXSA-N 358.402 -0.450 30 20 FBED Cc1nccc(CCC(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)n1 1091163156 LJELTDNPAJYOHK-CABCVRRESA-N 353.386 -0.255 30 20 FBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2NC(=O)NC2=O)nn1 1092975597 IHIHCLPXANNJED-LPWJVIDDSA-N 369.385 -0.438 30 20 FBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]2C(C)C 1093480222 XUMVNCXIGXGTDO-FXRXJOCMSA-N 358.442 -0.007 30 20 FBED C#CCN1CCN(C(=O)c2ccn(CCOC)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094643452 MRQXSFFFLZPZBT-LSDHHAIUSA-N 366.443 -0.914 30 20 FBED C=CCOCC(=O)N1C[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@@]2(C)C1 1101175057 DENNGASVEDGDAC-GJYPPUQNSA-N 365.474 -0.047 30 20 FBED CC(C)(C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1)S(C)(=O)=O 1101380358 UAENGELDWDWGIF-WBMJQRKESA-N 370.475 -0.770 30 20 FBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C 1102890968 ANHVGEJWSPAYMH-HZPDHXFCSA-N 362.474 -0.178 30 20 FBED C=CCNC(=O)[C@H](C)NCC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1104832816 VIFAOIQZOSRUIX-QLFBSQMISA-N 363.466 -0.172 30 20 FBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1C 1106448219 BGMJJTLBFYWJQQ-GDBMZVCRSA-N 368.441 -0.135 30 20 FBED CCN(CC)C(=O)CN1CCN(C(=O)[C@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463257 GAQNZLMOPBVCQE-HZSPNIEDSA-N 370.475 -0.676 30 20 FBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1109360971 IKGOELPMRZNIDL-NCOADZHNSA-N 363.458 -0.147 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCCS1(=O)=O 1109397539 GCTMVNPCAPXYCF-QPSCCSFWSA-N 367.471 -0.575 30 20 FBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(C)(=O)=O 1109456284 NNEOMCLAOTUSIU-MQYQWHSLSA-N 357.476 -0.167 30 20 FBED C=CCNC(=O)[C@H](C)NC[C@]12CCC[C@H]1CN(C(=O)CS(C)(=O)=O)C2 1112275803 UVRVXYLUVAFQPZ-ZQIUZPCESA-N 371.503 -0.060 30 20 FBED 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N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC(=O)N2)c1 589504210 QLMPPCUZSPLXTR-LBPRGKRZSA-N 350.400 -0.379 30 20 FBED N#Cc1nc(=NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc[nH]1 594544790 REHQJMGBARDQJV-UHFFFAOYSA-N 373.442 -0.271 30 20 FBED CC(C)NS(=O)(=O)NCCNC[C@@H](O)COc1ccccc1C#N 600735427 TVAYAEQYSKEWNJ-CQSZACIVSA-N 356.448 -0.280 30 20 FBED C=CCC1(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCOCC1 618245034 FNFNXGWZIQHDBY-UHFFFAOYSA-N 361.402 -0.325 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 646952098 YILXKJKVXGUWSQ-HIFRSBDPSA-N 371.393 -0.279 30 20 FBED CS(=O)(=O)c1cccc(OCCn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 737174998 ZCKUZVOYPCLARN-UHFFFAOYSA-N 374.386 0.000 30 20 FBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CO)CCOCC1 749019301 PIKODYBUVNSTPB-UHFFFAOYSA-N 367.427 -0.370 30 20 FBED CCn1nc(C)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C 755805983 XLKDYSFTXXVJCE-UHFFFAOYSA-N 368.419 -0.770 30 20 FBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 757589871 SRXLLDXDAPRHNT-GUBZILKMSA-N 351.363 -0.540 30 20 FBED COC[C@H](O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 765905484 QGMBHGBOADOTFD-LLVKDONJSA-N 355.416 -0.371 30 20 FBED C#CCN1CCN(C(=O)CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 785876702 JNCOHIGFNHXVPD-KRWDZBQOSA-N 361.490 -0.158 30 20 FBED C#C[C@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@@H]1CCCO1 787140493 SMQUVMLRTUGLHD-HOTGVXAUSA-N 350.463 -0.574 30 20 FBED C#CCCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 804147373 AYRVXLSQAFYBAS-UHFFFAOYSA-N 372.429 -0.839 30 20 FBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 804943567 KYKUASRVMOJDGA-UHFFFAOYSA-N 351.494 -0.066 30 20 FBED N#Cc1cncc(S(=O)(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)c1 810048502 HSOLNIBQQCGVTI-UHFFFAOYSA-N 360.351 -0.064 30 20 FBED CN(C)S(=O)(=O)c1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)cc1 812231232 LMTQXDSUQJJBEE-UHFFFAOYSA-N 365.415 -0.220 30 20 FBED CC(C)[C@](C)(C#N)NC(=O)CN1CCS(=O)(=NS(C)(=O)=O)CC1 821300184 QFHXZWALARQUCJ-ZDUSSCGKSA-N 364.493 -0.216 30 20 FBED CCOCCCN(C[C@@H](C)C(=O)O)c1c(C#N)c(=O)n(C)c(=O)n1C 830000919 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30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C(F)(F)F)C[C@@H]2O)nn1 963318086 VWHQKEIDMXPSFT-KKZNHRDASA-N 361.324 -0.036 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 964615150 JCKGXZUJWAPEMR-NDBYEHHHSA-N 353.419 -0.833 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1O 968345953 PSLRNTKNUKPGEZ-ILXRZTDVSA-N 360.389 -0.380 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@@H]2O)cn1 969352761 ALGKLORPVNAHPU-OCCSQVGLSA-N 355.354 -0.883 30 20 FBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C)nc1 989164326 UMNVPTRSMBWUNB-YPMHNXCESA-N 369.381 -0.666 30 20 FBED Cn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)nn1 990865605 GSKPLRDYYIYUPL-OCCSQVGLSA-N 354.374 -0.998 30 20 FBED C#Cc1cncc(C(=O)N2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C)C2)c1 993400512 GOWUVSXLNNBPAG-QAPCUYQASA-N 365.397 -0.330 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](c2cncn2C)C1 993631265 KOAIEBDOQWLJCG-IJLUTSLNSA-N 356.390 -0.649 30 20 FBED 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30 20 FBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)C1 1792439966 WRWSXYWCECQRHQ-MIFYACCESA-N 364.446 -0.187 30 20 FBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415163 FWDNQHQCSJVOCT-FPYNETTCSA-N 371.459 -0.361 30 20 FBED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795539142 PRRXPPYGLBUNFP-HLPPOEQASA-N 363.462 -0.173 30 20 FBED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1804128515 VXRBGUBYOKSCLM-FZKCQIBNSA-N 371.441 -0.139 30 20 FBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825671644 LKPHZDUHYCAQIG-QMMMGPOBSA-N 361.335 -0.769 30 20 FBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1834763517 MUHPSHJCDHHQTJ-QGZVFWFLSA-N 360.370 -0.229 30 20 FBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)CC1 1835345852 GPYRPMHUWCZJSV-QGZVFWFLSA-N 374.401 -0.962 30 20 FBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1839811123 IBFYPDNITQNXGD-GOSISDBHSA-N 368.430 -0.135 30 20 FBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842943600 WYAJHIAGGSTBJY-OLZOCXBDSA-N 352.435 -0.626 30 20 FBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cn3cccnc3n1)C2 1846195770 BIPDFBHOENNKPH-UHFFFAOYSA-N 353.338 -0.366 30 20 FBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccccc2)c1=O 8224689 IVNRDFQIUGBIRB-UHFFFAOYSA-N 356.382 -0.140 30 20 FBED C=CCNC(=O)NC(=O)CN(C)c1c(N)n(CCCC)c(=O)[nH]c1=O 10044037 VDHUQSCCSICEIK-UHFFFAOYSA-N 352.395 -0.633 30 20 FBED Cn1c(=O)c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)nc2n(C)c1=O 26266344 FWWNEDXLHYPRAL-UHFFFAOYSA-N 350.298 -0.649 30 20 FBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(c2ncccn2)CC1 262825339 ZPLZSQKLCWXYDE-MRXNPFEDSA-N 358.494 -0.436 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)cc1 263283406 KFEFFCYUAFPBEE-ZDUSSCGKSA-N 366.395 -0.086 30 20 FBED C#Cc1cccc(NC(=O)CNC(=O)NCCCN2C(=O)CNC2=O)c1 264511463 SKMKOXJDKQXUDY-UHFFFAOYSA-N 357.370 -0.153 30 20 FBED CCC[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291503797 SJBAOQVKGNCFGO-AWEZNQCLSA-N 364.427 -0.036 30 20 FBED N#C[C@H]1CN(C(=O)C(=O)N2CCNC(=O)C2)CCN1Cc1ccccc1 297810063 JSEHMABNRKNQIE-HNNXBMFYSA-N 355.398 -0.819 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCNS(C)(=O)=O)cc1 298303728 MFXCJWOTCZOCMZ-UHFFFAOYSA-N 373.456 -0.733 30 20 FBED N/C(=N\C[C@@]1(N2CCOCC2)CCSC1)NCCCN1CCOCC1 303895148 SZSMAOPLENFGTL-KRWDZBQOSA-N 371.551 -0.179 30 20 FBED CCS(=O)(=O)N1CCC(N/C(O)=N/CCN2C(=O)CCC2=O)CC1 328831214 UWXWXGWBQRDXAI-UHFFFAOYSA-N 360.436 -0.547 30 20 FBED Cn1ccc(N2CCC[C@H](N/C(O)=N/[C@H]3CCCS(=O)(=O)C3)C2=O)n1 329860777 XONFJLHWKSQYRM-RYUDHWBXSA-N 369.447 -0.004 30 20 FBED CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 330900928 AWJMTNXDZIIHOG-IUODEOHRSA-N 359.496 -0.052 30 20 FBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349464023 NIWUEPRVMYGTJR-NWDGAFQWSA-N 367.493 -0.275 30 20 FBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCc2cnccc21 349604805 VUJDORDSBXDSGF-UHFFFAOYSA-N 358.445 -0.003 30 20 FBED Cc1cccc(OC[C@@H](O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410116130 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FBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)OC 590294797 DLUWWOBKJVRCQK-SNVBAGLBSA-N 351.363 -0.248 30 20 FBED N#CC1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 590482953 NOAVHBSLWZNMFB-OCCSQVGLSA-N 353.375 -0.068 30 20 FBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 596691208 XGBFDMGRJZFNKN-LLVKDONJSA-N 374.440 -0.086 30 20 FBED N#Cc1cn(C2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)c(=O)nc1O 599006955 NOJLINRLNJRNOQ-UHFFFAOYSA-N 374.317 -0.808 30 20 FBED C#CCNC(=O)C1CCN(CC(=O)N(CC)CC(=O)NC(C)C)CC1 747968389 BOFMYBHDTUBXOG-UHFFFAOYSA-N 350.463 -0.179 30 20 FBED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3cccn3C)CC2)CC1 748812826 IHXNCPRYJIUIMP-UHFFFAOYSA-N 357.458 -0.440 30 20 FBED C#CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763052790 KQAKGGYHXFYMLS-LLVKDONJSA-N 369.468 -0.065 30 20 FBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 783012062 CROBNHRAXFVOGC-NSHDSACASA-N 353.466 -0.690 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)C1=O 792520435 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-0.801 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]2O)c[nH]1 962391800 CSCFUYJMCNGJQH-XZJROXQQSA-N 368.397 -0.353 30 20 FBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)no1 963263774 KPHKJNTYRGZRIL-KGLIPLIRSA-N 359.342 -0.364 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@@H]2O)CC1 966004007 DHXSGEATCZEFRG-ZACQAIPSSA-N 363.458 -0.411 30 20 FBED Cn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)ccc1=O 968697851 IMIYFWJLAYQTBQ-KGLIPLIRSA-N 355.354 -0.800 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CN3CCCNC3=O)C2)cc1 968726608 UACHJJDZFADMCR-CVEARBPZSA-N 370.409 -0.615 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@@H]2O)cc1 969474249 FEQWGFXYXYENGJ-VCBZYWHSSA-N 355.394 -0.504 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 973326094 RHMZAFHSPTXEOX-KSTCHIGDSA-N 350.419 -0.245 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 978168455 OYLVRRQNWQWPGT-UNQGMJICSA-N 361.446 -0.116 30 20 FBED N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3nnc(O)nc3O)C2)c[nH]1 981189544 PREYTGXRTAUVLZ-WCBMZHEXSA-N 371.357 -0.189 30 20 FBED O=C1NC(=O)[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)N1 986316583 ZYKBADODTQHCLU-RDBSUJKOSA-N 358.398 -0.695 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@@H]1C 988738811 VFQQEHCZBMPGEA-COXVUDFISA-N 360.458 -0.332 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2n2ccnn2)nn1 990870765 HBJKUJGHPYJYIP-OCCSQVGLSA-N 356.390 -0.353 30 20 FBED Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 990948327 SNQREPAUCPELFJ-WQAKAFBOSA-N 358.362 -0.760 30 20 FBED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCC(=O)N2)nn1 995915715 OWZDHMGNKCYDRT-CXTNEJHOSA-N 372.429 -0.006 30 20 FBED CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1=O 1000633593 NXKRKNHVMAEEGX-RDBSUJKOSA-N 358.398 -0.458 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2COCCN2C)C1 1001511648 YGCPKJPXBDPGGV-XHSDSOJGSA-N 351.447 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C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1Nc1nccnc1C#N 1043576540 JYQOTGPBGKUZHE-DGCLKSJQSA-N 364.431 -0.357 30 20 FBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)c3nccnc3N)C2)n1 1043889296 GXCHNJGBROUVIF-MNOVXSKESA-N 354.374 -0.738 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccc4nnc(O)n4c3)C2)cn1 1044047103 CRIQKCBVYSHJFQ-NEPJUHHUSA-N 366.341 -0.924 30 20 FBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]nc3[C@H]3CCOC3)C2)n1 1044350065 DXGUYHOGHBADSY-GDLCADMTSA-N 369.385 -0.445 30 20 FBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1044442548 XSTNVIUANKLQDE-BNOWGMLFSA-N 353.386 -0.143 30 20 FBED Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)cn1 1044576437 HBJFWYZSHQEOLB-YJNKXOJESA-N 353.386 -0.449 30 20 FBED C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1c1cncc(C#N)n1 1050304505 HXBTYIKSHXGLLA-SKDRFNHKSA-N 355.358 -0.455 30 20 FBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 1050517511 YRBKCKKCGLUMKM-BYCMXARLSA-N 358.402 -0.321 30 20 FBED 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C=CCN[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@@H]1n1ccnn1 1070278967 AKARBXDWOKHSBO-CABCVRRESA-N 355.402 -0.078 30 20 FBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2NCC#N)c1 1070526448 KBZRBSANUQXFNV-HEHGZKQESA-N 368.445 -0.239 30 20 FBED C#CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2CC1 1074332722 FLLFIYFHZTYOSW-RBZJEDDUSA-N 361.442 -0.157 30 20 FBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cnnc3O)C2)cc1F 1076904496 HTWDOVAPPQWFOK-ZIAGYGMSSA-N 360.349 -0.644 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1081010822 UJAFBXLSEMWXJN-MJBXVCDLSA-N 367.446 -0.441 30 20 FBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)[C@H]2C)C1=O 1089023152 GFSUFBJUVVAWKL-VNHYZAJKSA-N 359.430 -0.240 30 20 FBED CN(CC(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21)S(C)(=O)=O 1090362039 SEHVITXGPRSDHS-UONOGXRCSA-N 363.443 -0.118 30 20 FBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)c(Cl)c1 1090443202 SLQJMQOLGUTHPB-VXGBXAGGSA-N 351.794 -0.072 30 20 FBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3CC)C[C@H]1O 1090488099 BKHIZBMCWKIPQP-JHJVBQTASA-N 358.402 -0.450 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)nc(C)c2F)C[C@H]1OC 1090889274 KZEBYYFMSULRBC-CHWSQXEVSA-N 363.393 -0.308 30 20 FBED C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091190502 RNHHUEJAZRFJLQ-HONMWMINSA-N 370.369 -0.575 30 20 FBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(c3ccc4nnnn4n3)[C@H]2C1 1091209008 WNTLMKBZHCEWIA-STQMWFEESA-N 368.401 -0.914 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1 1092285862 WTGSUWFJEUCOLD-ACJLOTCBSA-N 352.398 -0.228 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 1092453124 DSBTXYWZOGZXCQ-VXGBXAGGSA-N 368.401 -0.468 30 20 FBED C=CCO[C@H](C)C(=O)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1092783739 UCEFRZBKFFGGKO-MCIONIFRSA-N 366.443 -0.118 30 20 FBED Cc1cnc(CN2CCN(C(=O)[C@H](C)C#N)[C@@H]3CS(=O)(=O)C[C@@H]32)o1 1094614861 SDFQZLAYGLOURM-KGYLQXTDSA-N 352.416 -0.048 30 20 FBED C=CCCN1CCN(C(=O)CCc2nc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094622864 LKPOUOKTEJRJNT-QWHCGFSZSA-N 353.448 -0.377 30 20 FBED C=CCCN1CCN(C(=O)Cc2nonc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094672523 BKRVXOSVROMOKE-UONOGXRCSA-N 354.432 -0.194 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C(C)(C)NC(C)=O)C[C@]2(C)C1 1101393807 GMEJEHRWRSJEJW-OHNRDTAOSA-N 362.474 -0.181 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)COC[C@@H]1CCCO1 1102617274 OMUCZQIPAHSORG-KFWWJZLASA-N 352.435 -0.494 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CO[C@@H]2CCOC2)C1 1102980383 IZBCBFGVIPJDHN-BZUAXINKSA-N 351.447 -0.385 30 20 FBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCS(=O)(=O)CC2)C1 1103717708 FNMJUSRHBGXCAF-HZPDHXFCSA-N 355.504 -0.186 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN[C@@H]2CCN(CC=C)C2=O)C1 1106035226 PORQYSLUVBYOSH-BZUAXINKSA-N 360.458 -0.403 30 20 FBED Cc1cc(COCC(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)on1 1106307712 PNSBTAMQIRSCJO-TZMCWYRMSA-N 363.418 -0.177 30 20 FBED CC#CCN1CCN(C(=O)CN(C)C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476474 MIINIHLNOLSZIJ-LSDHHAIUSA-N 367.471 -0.812 30 20 FBED C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110127834 YZZBXLRWLGQTNR-CRWXNKLISA-N 373.413 -0.241 30 20 FBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC(N)=O)C1 1112589181 OBVFUERREWKRBG-IGCXYCKISA-N 352.435 -0.009 30 20 FBED CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1125272682 WXPMSYYBCSPFNV-VHDGCEQUSA-N 361.402 -0.758 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc[nH]n2)C1 1128736690 QEBGKILTPNIKEM-BNOWGMLFSA-N 358.406 -0.653 30 20 FBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1n1ccnn1 1128961292 AQCLRSHTKOGLPB-IJEWVQPXSA-N 361.406 -0.162 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nonc2C)C1 1129830224 YBVCLFOLSICPAI-CFVMTHIKSA-N 359.390 -0.450 30 20 FBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCc2n[nH]c(C)n2)C1 1129837321 BHMMBVWKSUKNKE-KGLIPLIRSA-N 358.406 -0.714 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC[C@H](C)OC)C2)nn1 1130033249 ZWBJRWOUPUTGTO-GUTXKFCHSA-N 360.422 -0.254 30 20 FBED C=CCCN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@@H]1n1ccnn1 1130066474 AQSNVNMXCRKJKJ-KGLIPLIRSA-N 360.422 -0.459 30 20 FBED C=CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)NC(C)=O)n1 1130181463 IUUSFLHESKIIRA-UBHSHLNASA-N 364.450 -0.016 30 20 FBED CC(C)[C@H](F)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130647265 YLPHRQKPVVHKOU-BJJXKVORSA-N 364.425 -0.062 30 20 FBED C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCN(C)C)CC1 1131564297 FZONEZUOIDDICB-APWZRJJASA-N 364.490 -0.327 30 20 FBED Cn1cc([C@@H]2C[C@H]2C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)cn1 1148321220 SMBRVHAROJLBRT-LSDHHAIUSA-N 356.430 -0.302 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1186756063 FGDZCYIOCDWXML-KWCYVHTRSA-N 365.434 -0.945 30 20 FBED CC(C)Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162307 PZZLAJPIQKWVEH-CHWSQXEVSA-N 352.464 -0.148 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1191384050 LVNYUWVEWQOUKW-HUUCEWRRSA-N 362.434 -0.734 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O 1192539369 GSURNAYVUNRWMI-CPUCHLNUSA-N 351.403 -0.264 30 20 FBED CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862141 MMHBNWRHHRZFIT-IACUBPJLSA-N 350.419 -0.816 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Oc2ccccc2F)C1 1193212396 RHWSVQJDCBJMEO-NWANDNLSSA-N 363.389 -0.496 30 20 FBED C#CCC1(C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2O)CCOCC1 1193726475 CXZNQYMTCHWOHF-HZPDHXFCSA-N 363.458 -0.506 30 20 FBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 1197000800 KMTPFQPEVTWWRS-HZPDHXFCSA-N 355.398 -0.104 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2noc3c2COCC3)[C@H](C)C1 1211184723 YAHLPDPCWNJLPE-YRGRVCCFSA-N 360.414 -0.065 30 20 FBED CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212353207 MDRULCNRYOFASO-BFHYXJOUSA-N 357.430 -0.879 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc(CCC)[nH]n2)[C@H](OC)C1 1213246165 RQYWPCZKDWIZIW-APHBMKBZSA-N 361.446 -0.071 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H](OC)C1 1213335505 DUKLBNOHCUCQGS-BZUAXINKSA-N 356.426 -0.324 30 20 FBED C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](OC)C1 1213506098 CEIAAXWQYTZOTD-BPLDGKMQSA-N 364.446 -0.132 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1C 1215134634 XIPQSSNYKXXBKK-YRGRVCCFSA-N 355.402 -0.688 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 1217713555 RIQKNJHUKDDHTH-VBNZEHGJSA-N 364.446 -0.933 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(F)F)[nH]n1 1218610336 VJQLJIQMGSKSGP-QWHCGFSZSA-N 367.356 -0.378 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COc2ccccc21 1219068671 CNBMWIMDVVFNQJ-YQQAZPJKSA-N 370.409 -0.286 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NCc2ccccc2F)C[C@@H]1O 1219365768 HADOZYYJLJMRDP-CVEARBPZSA-N 365.405 -0.194 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2nccn2CC)C1 1219531341 QKQCJFGGTFPMSF-KGLIPLIRSA-N 362.434 -0.560 30 20 FBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O)OCC 1219726279 WFMWUSYEFJZSRS-FRRDWIJNSA-N 353.423 -0.859 30 20 FBED Cc1ccnc(C(C)(C)C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c1 1219867843 SOXDKMQQSFYYIH-KGLIPLIRSA-N 359.430 -0.531 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1219883413 SEZKABMEJXBCRW-CABCVRRESA-N 360.414 -0.598 30 20 FBED CC[C@@H](C)n1nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cc1C 1219921710 OSKWCSOMDBSMEB-DFBGVHRSSA-N 362.434 -0.423 30 20 FBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3ccc4nnnn4c3)[C@@H]2C1 1221686315 URXZVXLNAZLGBG-GZBFAFLISA-N 367.413 -0.592 30 20 FBED CC(C)(C)n1cnc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)n1 1221813361 HEYCMKSCOWHNRB-CHWSQXEVSA-N 359.434 -0.181 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3c(C)nc(C)nc3O)[C@@H]2C1 1222011255 WLZFDAOHHAKIKR-GDBMZVCRSA-N 371.441 -0.376 30 20 FBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 1225969383 JSHALMSJJMRRSV-UTUOFQBUSA-N 367.406 -0.876 30 20 FBED N#Cc1ncn(CC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)n1 1255030937 AKTIHVNVHNVUQL-UHFFFAOYSA-N 354.370 -0.061 30 20 FBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 1261412033 RYNUSYSRWDFRSD-UHFFFAOYSA-N 356.426 -0.484 30 20 FBED C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1292362105 QEQDWRRQEMUTBH-DEYYWGMASA-N 362.430 -0.250 30 20 FBED N#Cc1ccc([C@@H](C(N)=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1320685579 RYZOXHDIVAELQN-CVEARBPZSA-N 362.455 -0.111 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)OC(C)C)CC1 1321609625 ATYXXNRELJIQQH-UHFFFAOYSA-N 351.403 -0.568 30 20 FBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1321625879 RXWSMMBCKVJXOE-LLVKDONJSA-N 355.420 -0.126 30 20 FBED C[C@H](CCN(C)C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1323607039 FPHHIDXMZQYKNL-ZIAGYGMSSA-N 373.461 -0.158 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1CCOCC1 1325613616 VDPGUEKMXGAMNJ-GFCCVEGCSA-N 358.402 -0.319 30 20 FBED C#CC1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 1326436507 GFVVSEFFPVJSPG-UHFFFAOYSA-N 363.458 -0.144 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 1327401685 CWOMWSNFDNGWLO-UHFFFAOYSA-N 371.381 -0.590 30 20 FBED N#CCOc1cccc(CNC(=O)C(=O)NCc2nnnn2C2CC2)c1 1328878391 SHONNMVVHOTADY-UHFFFAOYSA-N 355.358 -0.157 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)CC(C)C)CC2)nn1 1329223542 SJRADNUIEKZGCP-UHFFFAOYSA-N 362.434 -0.203 30 20 FBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCC(CO)CC1 1338866798 GSGRIWAVGVQPGP-UHFFFAOYSA-N 360.418 -0.263 30 20 FBED C=CCn1c(Cc2nccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1339520299 YJBPDNAAWKIOTD-NSHDSACASA-N 373.442 -0.342 30 20 FBED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCC(CC#N)CC1 1340658142 NCIXTMIOONAUCV-UHFFFAOYSA-N 358.464 -0.027 30 20 FBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)n1 1343130007 FXXRTGQXFKCEND-HOCLYGCPSA-N 361.446 -0.300 30 20 FBED N#Cc1ccc(OC2CN(C(=O)C(=O)NCCCN3CCOCC3)C2)cc1 1344798329 LAOAJHXDLYWOLM-UHFFFAOYSA-N 372.425 -0.014 30 20 FBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1516614398 USAOWHDVBKZMSA-GFCCVEGCSA-N 357.436 -0.022 30 20 FBED Cc1c(-c2nn[nH]n2)c(=O)n(CC2CCC(C#N)CC2)c(=O)n1CCO 1570997343 IOGLHJGHCXUATG-UHFFFAOYSA-N 359.390 -0.179 30 20 FBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O 1573584840 GGPXINDSTXPFOO-OWYVNGRQSA-N 359.365 -0.173 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)c1 1581862962 RRUBWMIAMGHKJH-JTQLQIEISA-N 350.346 -0.135 30 20 FBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354770 ZAEZWXYLZZASSU-GFCCVEGCSA-N 370.417 -0.614 30 20 FBED C#CCNC(=O)CN[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1588354810 ZWUKDURTSHMAFK-ZDUSSCGKSA-N 356.390 -0.958 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)[C@H](C)C1 1588356404 XDPLBOOPLWQDCV-NQBHXWOUSA-N 356.390 -0.046 30 20 FBED C[C@@H](C#N)C(=O)N(C)CCOCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588926609 HZXHYKILEYYVNW-NSHDSACASA-N 374.405 -0.099 30 20 FBED CC1(NCC(=O)NCC#N)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1590146982 ONTVCVPAXVUBQR-UHFFFAOYSA-N 371.405 -0.581 30 20 FBED C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CC(=O)NCC#N 1590172776 XRTBBQHRRSRRDD-MNOVXSKESA-N 371.405 -0.583 30 20 FBED C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1NCC(=O)NCC#N 1590293602 IJBAOBDYSUGTRR-CMPLNLGQSA-N 371.405 -0.725 30 20 FBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)CC1 1601049461 RDPGIDYXBXOQDH-IGQOVBAYSA-N 360.414 -0.340 30 20 FBED CN1CCN(C)[C@H](CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1604865684 HIYRQPKGMBMSGB-JKSUJKDBSA-N 368.445 -0.089 30 20 FBED N#Cc1ncn(Cc2ccc(C(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 1609501501 UYWJJWNRYQGOJR-UHFFFAOYSA-N 361.329 -0.147 30 20 FBED CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1637652557 OPWSKGUCPPEWEZ-NSHDSACASA-N 363.374 -0.054 30 20 FBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](CO)CN1CCOCC1 1656473634 WHROBKDCVWGBJJ-OAHLLOKOSA-N 357.407 -0.190 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(CCN2CCNC2=O)C1 1755335953 AZSPDZPQFWSKBL-KGLIPLIRSA-N 352.435 -0.844 30 20 FBED CN1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781031267 AVQYUIPDUYXRDS-KSSFIOAISA-N 363.414 -0.611 30 20 FBED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)CCC1 1783123131 AZICAZNWSVZREJ-PMUMKWKESA-N 363.462 -0.520 30 20 FBED Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783556623 ASXSSAPXSPOJHS-LJQANCHMSA-N 371.393 -0.150 30 20 FBED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557708 PYPOSQNFKMANNF-KRWDZBQOSA-N 374.353 -0.983 30 20 FBED CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784029429 FNSZGBCKHBRYPS-QCQGSNGOSA-N 366.414 -0.539 30 20 FBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112831 GWHHREPNJYTBOC-KRWDZBQOSA-N 360.370 -0.955 30 20 FBED N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381936 PMUHNDPVTBDUKY-JYJNAYRXSA-N 373.457 -0.781 30 20 FBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1786366514 YKJHSXLQKBPSHE-DLOVCJGASA-N 361.358 -0.605 30 20 FBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794087615 IXLQDMKFWUJDAH-CHWFTXMASA-N 354.432 -0.505 30 20 FBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1cccc(=O)n1O 1794356134 GCSJVYNZICUDRB-ZSBFGKGUSA-N 371.393 -0.298 30 20 FBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)CC1 1795412727 QZUPFXXSRIEZBE-AGGWBTHJSA-N 358.402 -0.438 30 20 FBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1798398933 QIHZNLWWHFZIMK-RNJOBUHISA-N 352.435 -0.134 30 20 FBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(=O)NC)C3)C2)C1 1829660995 LFUJEBVZGGMYPG-GOSISDBHSA-N 365.430 -0.455 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834978113 GRAFWRSFSABAKD-MAUKXSAKSA-N 368.430 -0.482 30 20 FBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312483 ZYJNGELQFXYIHR-DYVFJYSZSA-N 351.403 -0.703 30 20 FBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1835353931 HOHSKMINMPVKCV-QGZVFWFLSA-N 361.402 -0.357 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840159732 LWWRRKSYMCZVED-IOASZLSFSA-N 358.460 -0.060 30 20 FBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846979203 VCZGJLDLGSYYOG-UHFFFAOYSA-N 370.413 -0.376 30 20 FBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c1 1848068001 XFMHKELDSKUJDQ-STQMWFEESA-N 370.369 -0.746 30 20 FBED Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)CCC#N)cc1 45805851 FXXXKWBGLIMKQQ-UHFFFAOYSA-N 360.461 -0.047 30 20 FBED C#CCN1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 112920823 NEZRBROPIQZHNY-UHFFFAOYSA-N 353.382 -0.189 30 20 FBED N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 263731101 FCAFOPOGMOCGGL-GJZGRUSLSA-N 368.459 -0.197 30 20 FBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 272517787 JLPBNGZPXQIFKB-CHWSQXEVSA-N 374.397 -0.032 30 20 FBED C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 278168427 FKJMOAAAAROJLQ-LBPRGKRZSA-N 351.432 -0.118 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1 285317568 IPVFMKATODUBDG-YOEHRIQHSA-N 350.463 -0.179 30 20 FBED Cc1nc(S(=O)(=O)NCC/C(O)=N/C[C@H]2CN(C)CCN2C)cn1C 329376780 OJGHMFRSKNECJX-ZDUSSCGKSA-N 372.495 -0.401 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)c1C#N 472267732 JFHPFAGVEZMSAR-NSHDSACASA-N 354.436 -0.814 30 20 FBED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(N3CCC3=O)c2)CCO1 548774211 STMFVTFEULSSLC-AWEZNQCLSA-N 350.400 -0.018 30 20 FBED COc1ccc(C(=O)CNC(=O)CCC(=O)NCC(=O)NCC#N)cc1 557723430 KFXQYQVJTATFRR-UHFFFAOYSA-N 360.370 -0.470 30 20 FBED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)n1 567835465 QSYGQTMFDAORAK-UHFFFAOYSA-N 365.415 -0.273 30 20 FBED Cc1nc(=NC(=O)CN2CCCS2(=O)=O)n(-c2ccc(C#N)cc2)[nH]1 610231783 ADIZFAOCNYTFDG-UHFFFAOYSA-N 360.399 -0.157 30 20 FBED COCCN(CCC#N)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 615255174 AXMLGTBYSUPRPW-UHFFFAOYSA-N 358.358 -0.011 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCc3c2cnn3CCO)CCO1 619710206 NFJVMUAMBAGMPM-YPMHNXCESA-N 355.420 -0.688 30 20 FBED COc1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1C(=O)N(C)C 738057550 CXFGXSLVAZCQSL-UHFFFAOYSA-N 355.372 -0.004 30 20 FBED CN1CCC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 748504152 POTBTHLPDVKJPN-NSHDSACASA-N 350.400 -0.538 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 760494423 JLFAJUYBDJXJHV-UHFFFAOYSA-N 352.398 -0.226 30 20 FBED CN(C(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)(C)C#N 803863182 BVERCIJUPIDCTF-UHFFFAOYSA-N 370.387 -0.841 30 20 FBED C=C[C@H](O)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 814546740 JOQDIWKLGGTPMK-LBPRGKRZSA-N 373.365 -0.550 30 20 FBED CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)O)[C@@H]1CCS(=O)(=O)C1 820332739 HFGHKYQRECMIEG-YGRLFVJLSA-N 360.388 -0.430 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 825975004 JDAMACQXEXZWBT-ARFHVFGLSA-N 360.458 -0.425 30 20 FBED C#CC[C@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)OC 837943085 LDOFMWVYLKOBCL-JTQLQIEISA-N 358.354 -0.765 30 20 FBED CCOC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(C=NO)nc2=O)CC1 853670886 WUMAXWWSPZNSRP-LLVKDONJSA-N 351.363 -0.087 30 20 FBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1 860804361 ACDQFIQFNJYTOR-YFKTTZPYSA-N 352.391 -0.105 30 20 FBED CCN(C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCNC1 887067023 YJQJVQDQKFXZEF-HNNXBMFYSA-N 356.430 -0.188 30 20 FBED CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1cncn1C 943591695 NDLWRTJDXIFMDJ-HUUCEWRRSA-N 356.386 -0.182 30 20 FBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)c3nnc(O)nc3O)[C@H](OC)C2)C1 943807034 GUBKQDNVKGFQTM-NXEZZACHSA-N 363.374 -0.405 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccncn2)[C@H](OC)C1 946064178 YNXGSHWYYVBOCT-OWCLPIDISA-N 357.414 -0.470 30 20 FBED CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 946797255 DQWLJQLTRDHDOT-ZIAGYGMSSA-N 370.369 -0.417 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 948720945 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350.419 -0.501 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839768288 XITPJNRPTXXCSU-XSWJXKHESA-N 368.405 -0.161 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840158915 SWBHGZFCFBZVAE-ABAIWWIYSA-N 369.447 -0.797 30 20 FBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCNC(=S)NC)C2 1841600732 PRTDBPAINCZVIM-CYBMUJFWSA-N 366.487 -0.288 30 20 FBED COCCn1nccc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843510204 LMRWSXYFLWPUDM-UHFFFAOYSA-N 360.370 -0.566 30 20 FBED COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 92617310 KQIJHSWPKHAWLT-KRWDZBQOSA-N 351.495 -0.057 30 20 FBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C[C@H](C)O)CC2)CC1 189295692 BEDGWVMDSDEYEY-DLBZAZTESA-N 351.495 -0.323 30 20 FBED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 272951389 OSEZMVLRAPKZLJ-UHFFFAOYSA-N 357.414 -0.026 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1CCCNC1=O 273142081 XABYVHYVVDITPU-JTQLQIEISA-N 351.388 -0.328 30 20 FBED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCNC1=O 282245901 SCZYDVWCQRYQTM-BXUZGUMPSA-N 364.427 -0.038 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCOC[C@@H]2CCCO2)C1=O 284865333 YTLKQJVILLQQMV-LSDHHAIUSA-N 367.446 -0.066 30 20 FBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 288157237 KBYOQNSBUBWAIP-ZDUSSCGKSA-N 363.418 -0.341 30 20 FBED C=CCCOCCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 289327966 CLZJLBXYDZLVJU-CQSZACIVSA-N 355.435 -0.209 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cccnc2)C1=O 290818402 GSPFCTAFGMAPMN-CYBMUJFWSA-N 352.416 -0.395 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)OC)C1=O 361067042 LZNORLHOCDIENX-GHMZBOCLSA-N 367.358 -0.858 30 20 FBED COC(=O)c1cn([C@H]2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)nn1 374446129 GPRAAANDGAIICW-MNOVXSKESA-N 356.408 -0.352 30 20 FBED C=CCCn1cc(C(=O)N2CCN(CC(=O)NCCOC)CC2)nn1 424567245 SJYHZKQAIKGCLE-UHFFFAOYSA-N 350.423 -0.625 30 20 FBED C=CCN(CC(=O)c1c(O)nc(=O)n(CC)c1N)[C@@H]1CCS(=O)(=O)C1 440295464 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C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ccnc3)nn2)CC1 728530366 ATLSCNDDKNQRCA-UHFFFAOYSA-N 353.386 -0.831 30 20 FBED C#CCNC(=O)C1CCN(C(=O)NCCCN(CC)S(C)(=O)=O)CC1 747857945 ZYPYYKTYWVBFTG-UHFFFAOYSA-N 372.491 -0.171 30 20 FBED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccnc(S(N)(=O)=O)c1 772425886 PWQZAFYYLQFJNT-SNVBAGLBSA-N 354.388 -0.106 30 20 FBED Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(O)cc(C#N)c2)n(C)c1=O 776280494 RQDMMRUXXOMMPW-UHFFFAOYSA-N 369.337 -0.132 30 20 FBED CC(C)CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1=O 787756522 ACZUEHAYHOETRP-UHFFFAOYSA-N 372.429 -0.192 30 20 FBED N#Cc1ccc(S(=O)(=O)CCn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1 822833851 XRSJRBDDJNYJCV-UHFFFAOYSA-N 369.370 -0.137 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1 831564535 ARSWWMFYCMGVJC-UHFFFAOYSA-N 350.400 -0.520 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnn2CC(C)C)CC1 831579600 IWMKBEWMKBKFOY-UHFFFAOYSA-N 353.448 -0.236 30 20 FBED C#CC1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)CC1 834301811 SRLVAVBKSHNANB-UHFFFAOYSA-N 370.409 -0.027 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCN(CCOCCOC)CC1)[C@H]1CCCO1 846738644 KUSDZZOUWJKUHR-JKSUJKDBSA-N 367.446 -0.909 30 20 FBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 848960507 CVZNKYXLANTJJF-LBPRGKRZSA-N 360.461 -0.294 30 20 FBED C#CCOCCOn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 853640570 LSRJYSWQWCXEEO-UHFFFAOYSA-N 366.399 -0.469 30 20 FBED C=C(CNC(=O)[C@H]1CCN(C)C(=O)C1)CNC(=O)[C@H]1CCN(C)C(=O)C1 856339266 SGPVRAVOTDMDPG-KBPBESRZSA-N 364.446 -0.488 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 893536804 LOVUORASDXWHFF-KBPBESRZSA-N 369.491 -0.594 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2(OC)CCC2)CC1 895047419 DPQPSRHNBRUTKV-UHFFFAOYSA-N 358.464 -0.260 30 20 FBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnc2[nH]c(O)nc2c1 942567893 BTGYJELQYZHSJP-GGZOMVNGSA-N 358.358 -0.221 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C)cn1 951556312 LVNBCLDEFYUALG-OSAQELSMSA-N 368.393 -0.308 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@]34COC[C@@H]3C4)C2)nc1 958865052 IRUYTNNYUMUQNC-FJXLLPKBSA-N 355.394 -0.257 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 958865513 FLIGRNPLZGYIDT-MJFSBKNWSA-N 361.402 -0.856 30 20 FBED C[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)n1cncn1 960263558 OBQBIHCKKCFMLT-TUKIKUTGSA-N 369.385 -0.209 30 20 FBED C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 960429609 DZGNGPIANDYNOZ-LSDHHAIUSA-N 371.401 -0.587 30 20 FBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(C)n(C)n3)C2)c1 961782289 DRVGFKRVDQGMHF-CVEARBPZSA-N 353.382 -0.280 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc4nc[nH]c4n3)C[C@@H]2O)c1 962135746 ZJULDLRKFJTNNG-KGLIPLIRSA-N 365.353 -0.227 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2O)[nH]1 962335330 SBWITSMYGQAPJJ-IGRKVFDLSA-N 356.382 -0.389 30 20 FBED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 962905628 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372.491 -0.187 30 20 FBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 470602017 NKDABPQYGQAEMN-GXTWGEPZSA-N 367.427 -0.086 30 20 FBED COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 501160133 AGGWPAZGLNHVIE-GFCCVEGCSA-N 352.372 -0.604 30 20 FBED N#Cc1ncn(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 547329908 GRUYBYNDGNJBBU-OAHLLOKOSA-N 368.397 -0.264 30 20 FBED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 557848688 HILVMZCUHPKZPZ-GFCCVEGCSA-N 352.482 -0.177 30 20 FBED N#Cc1ccc(S(=O)(=O)NCCOCCS(N)(=O)=O)c(Cl)c1 573841219 AEWYHXJTTYDREO-UHFFFAOYSA-N 367.836 -0.205 30 20 FBED C[C@@H](N)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 591361078 AVYWOKYGIDZBDB-GFCCVEGCSA-N 351.432 -0.079 30 20 FBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593575337 GGWGWSXZQQFZKV-HNNXBMFYSA-N 370.383 -0.063 30 20 FBED C[C@H]1CN(S(=O)(=O)N2CCN(c3c(C#N)cnn3C)CC2)C[C@@H](C)O1 596074629 IJCGILDZUWPAFI-BETUJISGSA-N 368.463 -0.232 30 20 FBED C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)OC 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FBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 485106636 MFVTVSUFPBXISH-QGZVFWFLSA-N 367.369 -0.199 30 20 FBED C=C(C)CN(CC)C(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 532706071 PKCGSLHUZJFRQE-HUUCEWRRSA-N 359.492 -0.502 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 546697639 LLKIFIMQSXLDES-LNSITVRQSA-N 367.427 -0.573 30 20 FBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 595128419 HNUBOSGCRHYVGE-AAEUAGOBSA-N 367.383 -0.566 30 20 FBED CNC[C@@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 595282081 UOXZEZMEGDPGAG-LLVKDONJSA-N 360.418 -0.204 30 20 FBED C=C[C@@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 666373662 FEYOUKNIMCMDOR-CYBMUJFWSA-N 354.432 -0.804 30 20 FBED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 761024412 NKVSEWOZVREDJD-GJZGRUSLSA-N 356.492 -0.234 30 20 FBED Cn1cc(S(=O)(=O)NN=C2CCc3cc(F)ccc32)c(=O)n(C)c1=O 771891895 VJYUWRWRCNIGPH-UHFFFAOYSA-N 366.374 -0.148 30 20 FBED N#CC1(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)CCC1 784218687 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371.445 -0.772 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C1 976695231 LRCANTBDIIOAGE-QDEPRCCBSA-N 363.414 -0.991 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](c2cnn(C)c2)C1 982417460 SXFDLWDVBKHZSY-VBNZEHGJSA-N 369.429 -0.033 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cn1 983055195 YMGKZKHVJUGOBL-VBNZEHGJSA-N 370.409 -0.326 30 20 FBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C)nn1 988062941 BSMRVGLQVDBACO-PWSUYJOCSA-N 367.431 -0.772 30 20 FBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C)c1 989991352 UKVINMVZQDBMBZ-IPOQPSJVSA-N 370.409 -0.185 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 990938873 GKFBGBQOSQBVBT-WQAKAFBOSA-N 370.373 -0.953 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](c2cncn2C)C1 993632871 RJKFOVZTJIDAOE-NQBHXWOUSA-N 369.385 -0.200 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1009440436 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354.374 -0.241 30 20 FBED N#Cc1nccnc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)NC1 1043819482 YDDZNBWYBSWLGT-KWCYVHTRSA-N 356.386 -0.710 30 20 FBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1043943718 PXQDVRGBNDIPSC-KGLIPLIRSA-N 367.369 -0.182 30 20 FBED Cc1ccn(CC(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)c(=O)c1 1044616825 JMJZMZOFSCYSPW-KGLIPLIRSA-N 354.370 -0.816 30 20 FBED COCCn1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)n1 1044821378 UXGPJRFBCQZAGP-OLZOCXBDSA-N 357.374 -0.829 30 20 FBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1044847841 RFWLEPHETGGTQF-YUELXQCFSA-N 367.413 -0.137 30 20 FBED N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)C[C@H]4CC(=O)NC4=O)C[C@@H]32)n1 1045062452 QIBYZAFFZHYKCJ-XQQFMLRXSA-N 368.397 -0.172 30 20 FBED N#Cc1nc(=N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cc[nH]1 1047551802 MQAKCLFGODUPRW-AXFHLTTASA-N 357.374 -0.935 30 20 FBED CC[C@@H]1[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CCN1c1cncc(C#N)n1 1048775496 IKRYQSALHFUTPD-UONOGXRCSA-N 370.417 -0.274 30 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C[C@@]1(C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2O)CCNC1=O 1077666782 DNTJPQRDYRMKKY-GPMSIDNRSA-N 359.401 -0.135 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CN(C)C(=O)COC)C1 1079916627 RTGMZIXNDUEJBG-CABCVRRESA-N 367.446 -0.258 30 20 FBED CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1nnc(O)nc1O 1081899380 PDDAXBUENJCHCI-CHWSQXEVSA-N 370.369 -0.216 30 20 FBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1083670980 VNJSBZXYTZCLNL-UTUOFQBUSA-N 353.797 -0.134 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nnnn3CCCC)C[C@@H]2O)nc1 1083969603 LFHBEFLJSGFXKN-CVEARBPZSA-N 369.429 -0.175 30 20 FBED C=CCN1CC[C@H](NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2OCC)C1=O 1087092051 SWDFYHRBUGQFSB-HZSPNIEDSA-N 362.434 -0.342 30 20 FBED C[C@H](NC(N)=O)C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2ccc(C#N)cn2)C1 1089086256 NFNHLCXYYONJET-UHTWSYAYSA-N 369.389 -0.534 30 20 FBED CN(C)[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)c1cccnc1 1091116126 IUEJTIQADFQGKA-VYDXJSESSA-N 367.413 -0.288 30 20 FBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@@H]1O 1091118327 IETALVGXFBZHOJ-RTXFEEFZSA-N 350.423 -0.497 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc4nnnn4n3)C[C@@]2(C)C1 1092299217 ZYUPWYWLPSJGRD-AHIWAGSCSA-N 355.402 -0.158 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O 1092381335 GADSJMZFHACYHC-IJLUTSLNSA-N 356.386 -0.410 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O 1092382564 RKUZCZVXFLLMME-VXGBXAGGSA-N 371.401 -0.569 30 20 FBED C=CCN1CC[C@@H](N2CCN(C(=O)CC)[C@@H]3CS(=O)(=O)C[C@@H]32)C1=O 1094596260 NNCDWKIBJACOIC-HZSPNIEDSA-N 355.460 -0.507 30 20 FBED N#CCN1CCN(C(=O)[C@@H]2CCn3ccnc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641094 CKZMSPOBDYKLPT-HZSPNIEDSA-N 363.443 -0.721 30 20 FBED C=C(C)CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641635 SFMGYRDKNDDFMY-SOUVJXGZSA-N 369.487 -0.259 30 20 FBED C[C@H](CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21)c1cnn(C)c1 1094645511 QDNLJNFAYVDREJ-VHDGCEQUSA-N 365.459 -0.253 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)N(C)C)C2)C1 1094789306 ZJTOSOZXPPAZKT-CFVMTHIKSA-N 364.446 -0.933 30 20 FBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@]2(C)C1 1101466362 SQMAUHIRUSSCGL-LMMKCTJWSA-N 363.458 -0.336 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CCn2cncn2)C1 1102671748 DONMEDFZEIARJG-OWCLPIDISA-N 360.462 -0.120 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1106132847 BAFJIBRKTCBKTB-HUBLWGQQSA-N 361.406 -0.220 30 20 FBED C=CCCCN1CCN(C(=O)[C@@H]2COC(=O)N2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108471740 RUMVKKOGXKRFJT-RWMBFGLXSA-N 357.432 -0.629 30 20 FBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCOCC 1109167698 FSVRHDIXAWFVPQ-ILXRZTDVSA-N 364.446 -1.000 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCc2nccn2C1 1109463894 BRBMKHQQPSOJRW-WCVJEAGWSA-N 355.442 -0.084 30 20 FBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109804691 YNEFSAQYNDZARZ-QXSJWSMHSA-N 361.446 -0.181 30 20 FBED 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COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1609349801 MIJXCDGNLSRZRB-INIZCTEOSA-N 371.357 -0.309 30 20 FBED C=CCSCCNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1609461919 WIXCXCDZCXRBAC-JTQLQIEISA-N 353.404 -0.215 30 20 FBED C=C(C)CN(CC)C(=O)CNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1755008669 SHOQIQJWHLPOKL-ZNMIVQPWSA-N 366.462 -0.651 30 20 FBED CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1757003456 ONHFSTBHXDFHBC-CHWSQXEVSA-N 370.475 -0.420 30 20 FBED CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1757021252 MIDRYQDZNARVOG-JHJVBQTASA-N 352.435 -0.439 30 20 FBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779276338 ZLWOSWGDTAUJQG-KUHUBIRLSA-N 359.426 -0.080 30 20 FBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796022491 GJMJOFLERUAGBF-APIJFGDWSA-N 361.446 -0.497 30 20 FBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796425317 BJSJXZYTYSSPDW-DQYMBCKPSA-N 364.427 -0.988 30 20 FBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)CCC1 1801984625 QKNOWEUTPRCYES-GUIRCDHDSA-N 360.414 -0.594 30 20 FBED C[C@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1820882153 ZOTSOWOOUSGYFF-JQWIXIFHSA-N 361.358 -0.376 30 20 FBED CC[C@H](NC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056362 VISOJHKSYJBBOO-KSSFIOAISA-N 366.462 -0.009 30 20 FBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)CC1 1835342499 DRWKSWHRZZNBDP-GOSISDBHSA-N 371.397 -0.150 30 20 FBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839234514 AJRJQRVYZKYIEB-MRXNPFEDSA-N 362.390 -0.962 30 20 FBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)CC1 1839862917 HQJUWROVYAWVHL-QGZVFWFLSA-N 364.402 -0.988 30 20 FBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840873909 QWNZCDCQPNFMBG-YOEHRIQHSA-N 351.403 -0.217 30 20 FBED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1848063332 RYUBIHYMIASGFN-DZKIICNBSA-N 369.487 -0.242 30 20 FBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1CCS(=O)(=O)CC1 268604345 XATVDQJFZNZZGU-UHFFFAOYSA-N 350.396 -0.387 30 20 FBED CNC(=O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268788761 BCXZRJJMRMUBFN-NSHDSACASA-N 352.416 -0.180 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)C1=O 268882336 XBCVETZKFFDINQ-MFKMUULPSA-N 350.400 -0.428 30 20 FBED CCOC(=O)CO/N=C(/C(=O)NCC1(C(=O)OC)CC1)c1cc[nH]n1 278627357 MGOIJZPARSSPJT-XDHOZWIPSA-N 352.347 -0.237 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1=O 281383241 NVYSSFFQKIIKMP-ZDUSSCGKSA-N 371.397 -0.509 30 20 FBED C#CCOc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C 290276208 BTHSXAICTSEVAG-UHFFFAOYSA-N 353.400 -0.355 30 20 FBED CS(=O)(=O)N1CCC(C/N=C(/O)NCC(=O)NCC(F)(F)F)CC1 330442388 TWHDLXNTVBTRCF-UHFFFAOYSA-N 374.385 -0.160 30 20 FBED C=C[C@@H]1OCC[C@H]1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 411790448 OOBAQLHFAAIQMB-YPMHNXCESA-N 350.419 -0.099 30 20 FBED CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1cccnc1C#N 428414518 UYQNFRNYEGOUND-QWRGUYRKSA-N 358.445 -0.051 30 20 FBED C=CCOC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1)C(=O)OC 451493032 IZYICOUIJWJNJO-CYBMUJFWSA-N 367.383 -0.054 30 20 FBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@](C)(O)C1 460726614 NDFMKJRAEUJVHC-QGZVFWFLSA-N 354.370 0.369 30 20 FBED C=CCOC[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)OC 481749293 MKVFVGXOHQBTAL-CYBMUJFWSA-N 356.400 -0.051 30 20 FBED Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)nc1=O 489211876 ZMRMEDZYLXAGAU-CQSZACIVSA-N 367.365 -0.112 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)c1C#N 519618639 ZRPHXSOTQJGVOH-KGLIPLIRSA-N 362.434 -0.028 30 20 FBED C=CCNC(=O)CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 537497026 IEOPYFDQJFTMKZ-AWEZNQCLSA-N 352.435 -0.882 30 20 FBED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)nc1 550603147 UVWOXYQUJRGFGL-UHFFFAOYSA-N 373.394 -0.014 30 20 FBED C=CCCCNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 554729458 DJXXBBDNSQNLJY-UHFFFAOYSA-N 351.407 -0.057 30 20 FBED CCS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 568929031 NILWUZYTYSYIMT-UHFFFAOYSA-N 372.472 -0.306 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 576711168 CXLYOSRFQANMON-RYUDHWBXSA-N 353.466 -0.399 30 20 FBED C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H](C)N1CCOCC1 588063038 NKDQJYYGAFSYAL-UONOGXRCSA-N 351.451 -0.684 30 20 FBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589469122 QWIVJTADBSSOMI-KBPBESRZSA-N 364.427 -0.133 30 20 FBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 597050573 WXKSNQCCHGKNBS-UONOGXRCSA-N 357.480 -0.406 30 20 FBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCNC3)C2=O)cc1 599944496 WCBMLYOSTHIFSA-HUUCEWRRSA-N 355.398 -0.747 30 20 FBED COc1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c(F)cc1C#N 599955165 IYOXXUQGANUGGT-JTQLQIEISA-N 361.333 -0.120 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)C(=O)C1 619444511 AKLVQHSNPUBCSL-YPMHNXCESA-N 364.427 -0.038 30 20 FBED N#CCCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725953987 QAKROERIXJCSMK-KBPBESRZSA-N 363.345 -0.026 30 20 FBED CCN1C(=O)C(=NNC(=S)NCCNS(C)(=O)=O)c2ccccc21 727066534 QBQNWPBKMRMKOQ-UHFFFAOYSA-N 369.472 -0.230 30 20 FBED N#C[C@H](C(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCS(=O)(=O)CC1 737675021 YBBJMSQKCFESBS-GFCCVEGCSA-N 374.382 -0.554 30 20 FBED CC(C)CNC(=O)NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741342732 OOKIJRLXRIHUGS-PFONDFGASA-N 366.374 -0.072 30 20 FBED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnnn3C)nc2)CC1 751130500 ZDCRGRDFMOUWAI-UHFFFAOYSA-N 364.435 -0.408 30 20 FBED C#CCCS(=O)(=O)NC(=O)c1ccc(OCC(=O)NC)c(OC)c1 798203036 RBIXDDBRXCIZLX-UHFFFAOYSA-N 354.384 -0.097 30 20 FBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815269342 RSMRTCASYQBMCB-RISCZKNCSA-N 360.436 -0.500 30 20 FBED C=CCNC(=O)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2nc(C)ccc21 823925974 TUFBKOQAILBGIT-UHFFFAOYSA-N 368.357 -0.103 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 831579989 UJIVQMBCPHMGIQ-ZDUSSCGKSA-N 353.448 -0.475 30 20 FBED C#CCN1CCN(C(=O)CS[C@H](C)C(=O)NCC(=O)OC(C)C)CC1 840210710 DMSNVLZZRPCMEB-CQSZACIVSA-N 369.487 -0.047 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 936119122 DFGDIIMGZCWADT-BZPMIXESSA-N 371.397 -0.056 30 20 FBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 946841583 YEZPXKICQYMQBH-NILFDRSVSA-N 369.385 -0.222 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C)nn1 957972036 VILILKHYVXOLHZ-YRGRVCCFSA-N 360.418 -0.338 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CN4CCC3CC4)C[C@@H]2O)c[nH]1 962389418 WHLQHWQLCSIPJY-OAGGEKHMSA-N 357.414 -0.470 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)c3cccnc3)C[C@@H]2O)nn1 963310327 OYZPFSXVCXEVKS-XPKDYRNWSA-N 370.413 -0.036 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1O 964610986 WYOHLCIMUOKTRF-WCVJEAGWSA-N 365.430 -0.866 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 965677576 SCFAJYYWMLWMRG-KMUNFCNLSA-N 356.386 -0.124 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](OC)C3CC3)C[C@@H]2O)CC1 966005131 VMYAMLNUHBSSBC-IKGGRYGDSA-N 363.458 -0.556 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 968830118 AYSLDGKUGRXAEZ-SFGNSQDASA-N 357.292 -0.043 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@@H]2O)nc1 969346560 CYYXOMXSZUFBAL-CVEARBPZSA-N 353.382 -0.280 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3CC)C[C@@H]2O)cn1 969354103 VOQDQSKXSYRBPD-SJORKVTESA-N 367.409 -0.026 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@@H]2O)cc1 969472998 GDOUBBFMFMUGAD-CABCVRRESA-N 353.382 -0.401 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)CCn4ccnn4)C[C@H]32)nn1 972221098 BEHTWLYTYANTQN-UKRRQHHQSA-N 370.417 -0.181 30 20 FBED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 990868759 YBTUVFCAOQTPPD-VQISRLSMSA-N 370.417 -0.111 30 20 FBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CN2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995439705 DJCLQKYFAPBXJQ-MJBXVCDLSA-N 368.459 -0.922 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(O)n(C)c2=O)C1 1003540137 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371.419 -0.114 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CN2CC(=O)NC2=O)C1 954402659 VEOSHTYMTZFXKP-OLZOCXBDSA-N 364.402 -0.811 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nonc2C)C1 958882348 MKLBGGQCTALMSF-VOAKCMCISA-N 350.375 -0.387 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc2ncccn2n1 960831795 QGPHOKUWKNMUEF-SDDRHHMPSA-N 355.358 -0.664 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H](C)n3cccn3)C2)nn1 961684089 TXOBQFQWUBWVOK-SCRDCRAPSA-N 359.390 -0.777 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)c(O)n1 964357626 QQZAJDZTCFRENB-SCRDCRAPSA-N 364.402 -0.326 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2O)CC1 966004364 KRXFXEPUQWCJDC-ZBFHGGJFSA-N 359.430 -0.933 30 20 FBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 967116316 KAFWYZLFUKYJLC-CABCVRRESA-N 356.382 -0.245 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCn4ccnc4C3)C2)[nH]1 968329594 KTRVASQDPYAXBE-GLQYFDAESA-N 368.397 -0.353 30 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C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2nccn2c1 960621589 HDJRDBCIYZYKDV-KWCYVHTRSA-N 354.370 -0.059 30 20 FBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccnn3C)C2)CC1 961845501 NWMSLMZYFZAAEA-ZBFHGGJFSA-N 359.430 -0.933 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]2O)c[nH]1 962392726 JUWIPYWCZZAMSQ-CABCVRRESA-N 365.353 -0.227 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@H](NC(=O)Cn3cncn3)CO2)C1 965817916 GPDBIQAETFYCQW-MJBXVCDLSA-N 361.402 -0.645 30 20 FBED O=C(C[C@H]1CCCS1(=O)=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969128372 VKXBEEGQHNYNQE-MCIONIFRSA-N 354.428 -0.945 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)Cc3cncnc3)C[C@@H]2O)c1 970414478 PRGSVCZBIMPXNA-CVEARBPZSA-N 351.366 -0.603 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1O 970712077 RRCCRRJXYDJVCZ-NDBYEHHHSA-N 363.370 -0.729 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1O 970712093 SHMXDNWPUYQZDW-OYNZBZHQSA-N 371.397 -0.378 30 20 FBED 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30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 1024993740 SZTBOEVVPGEWSI-LERXQTSPSA-N 354.370 -0.067 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(c3nc(C)ccc3C#N)C[C@H]2O)nn1 1041172253 JDOSVNYNXBBMCV-UKRRQHHQSA-N 371.401 -0.521 30 20 FBED COCCn1ncc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)c1C 1041176227 DZKNNHKXOSHIDN-HUUCEWRRSA-N 371.401 -0.521 30 20 FBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2occ3c2CCOC3)C1 1041255214 XRFUVQFACWIHDM-ZIAGYGMSSA-N 355.354 -0.007 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H](C)N1C(=O)CCC1=O 1042596132 OBBMUBMEPKFELU-NQBHXWOUSA-N 356.386 -0.173 30 20 FBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O 1042604048 ZDSBLJXHDMBKCM-TZMCWYRMSA-N 368.397 -0.545 30 20 FBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H](C)N1CCOCC1 1042851795 FAYYYDOWDRFOEW-NUEKZKHPSA-N 359.430 -0.006 30 20 FBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 1042952302 IDAABTDGVWGGGW-PBFPGSCMSA-N 358.402 -0.416 30 20 FBED 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359.434 -0.678 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cn(C)nn4)C[C@H]3C2)nn1 986117838 IGGCBSVYQNUOOP-OLZOCXBDSA-N 370.417 -0.173 30 20 FBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C)c1 989801805 ZGDGWGMVRLRBPT-RISCZKNCSA-N 369.381 -0.666 30 20 FBED Cc1nc(O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 990895583 UOOBEOSVQMLWPF-IEBDPFPHSA-N 358.362 -0.643 30 20 FBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 998558991 JYAUPMIMLVBDBM-ZNSHCXBVSA-N 366.399 -0.052 30 20 FBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]23)nn1 1013117009 MXFHDPAANBOXCM-YFCNSXCBSA-N 361.402 -0.545 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]12 1013174328 LMGPFAVWGJNFJE-LGSVPQMISA-N 358.398 -0.062 30 20 FBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1023642137 DRQMUHXPWUNGCU-HZPDHXFCSA-N 367.409 -0.432 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2O)nn1 1023919754 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Cc1ccc2ncc(C(=O)N[C@@H]3CN(CC(=O)NCC#N)C[C@@H]3O)n2c1 1219996077 GWOAGBGSOZSCMO-OCCSQVGLSA-N 356.386 -0.943 30 20 FBED Cn1ncnc1COCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O 1220661086 KGULRAXEDPINMD-CVEARBPZSA-N 370.413 -0.435 30 20 FBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CS(=O)(=O)CCC)[C@@H]2C1 1222027455 WRCWUJPSLHFVLN-RBSFLKMASA-N 369.487 -0.518 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC[C@@H]1CCc2ncnn21 1225789779 YVZBQSWWTRQYAQ-RRFJBIMHSA-N 358.446 -0.078 30 20 FBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)n1 1230301884 XLTUWJARMFJAKK-CHWSQXEVSA-N 357.414 -0.440 30 20 FBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1ncn2nccc2c1=O 1251804397 WAVLNAGYRWPSPW-MEDUHNTESA-N 360.374 -0.123 30 20 FBED C=CCN(C(=O)C(=O)NCCCN1CCCS1(=O)=O)[C@@H](C)COC 1261867961 WDWWZXLQNWNLGB-ZDUSSCGKSA-N 361.464 -0.422 30 20 FBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1(NC(C)=O)CCCC1 1281843473 ZLUXHCGBJYDWCV-IACUBPJLSA-N 350.419 -0.063 30 20 FBED C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1323714333 RNJZBKUHKVBLHS-NXEZZACHSA-N 362.224 -0.237 30 20 FBED CCN(C(=O)COC(=O)C1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1 1324021284 HSBCBOROWYYBTG-LBPRGKRZSA-N 358.416 -0.114 30 20 FBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(OCC(N)=O)CC1 1324838462 PGLSYRAXDPIIOU-IUODEOHRSA-N 353.419 -0.423 30 20 FBED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1325992398 OYKLQAVQOQMBMP-GBJTYRQASA-N 353.419 -0.333 30 20 FBED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 1326147465 XAHVKLRITLYBNX-ZDUSSCGKSA-N 357.367 -0.670 30 20 FBED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1326150819 BMJUILNNHYEIHB-UHFFFAOYSA-N 357.414 -0.593 30 20 FBED CN(C)CCN(CC(=O)N(C)C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1331265734 ZEQAFFDBPWSQLV-WUKNDPDISA-N 365.434 -0.619 30 20 FBED C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1520337764 QXCDVFADZXLLDC-OLZOCXBDSA-N 357.422 -0.077 30 20 FBED COC(=O)N1CCC([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1567775559 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-0.137 30 20 FBED Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783561310 MUQNMFQQCIADKJ-KRWDZBQOSA-N 358.354 -0.683 30 20 FBED Cc1noc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561555 YVPRSGAOEHAKMM-KRWDZBQOSA-N 361.354 -0.177 30 20 FBED Nc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783562204 IXNCSQLHLATEHV-HNNXBMFYSA-N 364.383 -0.743 30 20 FBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117818 NSLNNRZMKVRBSK-ZBEGNZNMSA-N 367.427 -0.940 30 20 FBED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1=O 1831883944 MVOACTIWFBNKPI-GOSISDBHSA-N 374.397 -0.631 30 20 FBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1835354179 OOUDILMGRLRWMM-QGZVFWFLSA-N 359.386 -0.150 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836084039 AMUZOYCNKXRHOE-MRXNPFEDSA-N 364.427 -0.521 30 20 FBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839768287 XITPJNRPTXXCSU-LLDVTBCESA-N 368.405 -0.161 30 20 FBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839808168 MPDYLKBRUCWNFG-KSSFIOAISA-N 373.413 -0.633 30 20 FBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839809510 TVQGIEIUWVIOBD-SFHVURJKSA-N 360.414 -0.341 30 20 FBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841608015 VGYMOWQREISOIO-LBPRGKRZSA-N 364.402 -0.667 30 20 FBED Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O 28754143 GLCLTNPVGCMHPZ-UHFFFAOYSA-N 374.445 -0.910 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCS(C)(=O)=O 268801109 YPXGZRLICSILQD-LLVKDONJSA-N 373.456 -0.224 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)C(N)=O 268842307 UKBVAODTDFZNBS-SNVBAGLBSA-N 352.416 -0.147 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 271988580 IJRJCIREGMVJAQ-UHFFFAOYSA-N 360.370 -0.004 30 20 FBED CCN1CCN(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)C1=O 299111554 JOGBXCNBFKEPKY-UHFFFAOYSA-N 370.413 -0.707 30 20 FBED O=C(C/N=C(/O)CN1CCC[C@@](O)(Cn2ccnn2)C1)N1CCCC1 328979136 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C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841884331 TYAZDTOYZUDCDA-HNNXBMFYSA-N 369.487 -0.240 30 20 FBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845189695 GPCZKIBSEFWVJA-UHFFFAOYSA-N 352.391 -0.633 30 20 FBED CCN(CC)S(=O)(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 10078744 QNNINXUPZDEOEV-INIZCTEOSA-N 371.507 -0.001 30 20 FBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1 13269505 YFOOKDSZAXIVPU-UHFFFAOYSA-N 367.427 -0.007 30 20 FBED CC/N=C(/NCCN1C(=O)CNC1=O)N1CCO[C@H](c2cnn(C)c2)C1 261824637 UXDRWYLKSPQZRS-ZDUSSCGKSA-N 363.422 -0.689 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCCC)NC(N)=O)CC1 264177674 NLAUVNBEQZIHGF-AWEZNQCLSA-N 351.451 -0.503 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC(=O)OC)c1 265058870 QHYWEEPUWWUSEE-UHFFFAOYSA-N 368.411 -0.140 30 20 FBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)NCCOC 266571626 PHPYFEJBUSRKIJ-UHFFFAOYSA-N 351.334 -0.345 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2cccc(C)c2)C1=O 299602284 WWOCMOPUBYAZSW-UHFFFAOYSA-N 372.381 -0.182 30 20 FBED 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30 20 FBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1CS(=O)(=O)NC 409513880 OKNRYIZGDMURLM-RYUDHWBXSA-N 352.482 -0.274 30 20 FBED CCN(CCC#N)S(=O)(=O)N1CCC(N(C)S(C)(=O)=O)CC1 409578955 YPEBGVGXMQSLJN-UHFFFAOYSA-N 352.482 -0.177 30 20 FBED CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 409590475 CAKILZNPNGITAF-HZPDHXFCSA-N 373.523 -0.197 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](CO)OC[C@H]1C 492437249 TZAKWKBPYDXPIG-MBNYWOFBSA-N 367.427 -0.167 30 20 FBED CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 498069314 BJUDPLLBRRDAAU-UHFFFAOYSA-N 373.344 -0.233 30 20 FBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 528534771 HIBPMPKVTDYYAB-CYBMUJFWSA-N 373.479 -0.617 30 20 FBED COCCN1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 536629614 SXVSKFYRJOCYKJ-OAHLLOKOSA-N 356.382 -0.019 30 20 FBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ncccc3F)C2)CCO1 554519071 NNKJYLLIQLHOCQ-NEPJUHHUSA-N 355.395 -0.142 30 20 FBED Cc1cc(NC(=O)C(=O)NCCN2C[C@@H](C)OC[C@H]2C)nn1CCC#N 595124335 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DIYGOFYQKZXFDM-CABCVRRESA-N 369.381 -0.580 30 20 FBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccoc3CC(N)=O)C2)c[nH]1 970132626 LVXAGSSBQOMFQF-OLZOCXBDSA-N 371.353 -0.878 30 20 FBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)CCn4cnnn4)C[C@H]32)c[nH]1 971877222 UJLYEZNOPIAUTO-BXUZGUMPSA-N 354.374 -0.364 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 976593100 ZLTVEMAFESTQKD-JMUUTAKRSA-N 358.398 -0.062 30 20 FBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1 983303427 FLMXYQLGJLTMNC-CWRNSKLLSA-N 370.409 -0.326 30 20 FBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCCOC1 990834763 LNQQDNZSRWAQFT-XHSDSOJGSA-N 357.414 -0.014 30 20 FBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)o1 990894422 MHRAEEBCSJJHHG-HONMWMINSA-N 357.374 -0.155 30 20 FBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)nn1 990926734 XCVLDDRMCNZERH-BNOWGMLFSA-N 371.405 -0.840 30 20 FBED C[C@@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 993440156 NQQNCPSUMKLDDY-IUWMUCMRSA-N 355.398 -0.072 30 20 FBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 994078957 UDELSZJFLYFXQT-YUELXQCFSA-N 367.471 -0.356 30 20 FBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2n[nH]c(C)n2)nn1 996514509 UDXFPVTVRTVIRR-DYEKYZERSA-N 370.417 -0.005 30 20 FBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 999041869 PVSHNBUQYRNNOZ-MQYQWHSLSA-N 368.397 -0.096 30 20 FBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2C(=O)CNC2=O)c1 1000632442 GNBIYBYNMJLPSL-MDZLAQPJSA-N 370.369 -0.700 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1004418628 JPEKVIKFRBDNEI-CBBWQLFWSA-N 365.430 -0.425 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cn1 1009518605 PMNMTJCYNLCFEQ-JKJDWNRSSA-N 352.394 -0.382 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1011170333 QNNOIJGOMMVZNW-RDBSUJKOSA-N 371.459 -0.670 30 20 FBED C=CCn1cc(C(=O)N2CC3(CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)nn1 1019035797 ZILDRPLAMRSIDR-NEPJUHHUSA-N 358.402 -0.740 30 20 FBED CN1C(=O)CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023329246 DGNYLEYPTQGZHI-MGPQQGTHSA-N 359.386 -0.801 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@H]1O 1023939718 NIECMBKFBHFQRP-HWMZRRJGSA-N 362.430 -0.070 30 20 FBED C=CCOc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1024076510 COHMJDJAHLDGPR-HLBODDRNSA-N 373.409 -0.016 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 1024439085 IFZWJVLMIYPLHA-UXIGCNINSA-N 354.370 -0.272 30 20 FBED CC1CCN(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)CC1 1025290273 DSAPZFFBLNVLSC-HZPDHXFCSA-N 359.430 -0.080 30 20 FBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1040420580 OXDDXSJQYCFGPT-SSTYXLIHSA-N 365.455 -0.254 30 20 FBED Cn1cnc(C(=O)N[C@@H]2CN(c3snc(Cl)c3C#N)C[C@H]2O)n1 1041013385 DUPGSVFIKOYGFG-HTQZYQBOSA-N 353.795 -0.224 30 20 FBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(N(C)C)nn3)C2)n1 1041113675 AYSQMBNLJOYLMX-ZIAGYGMSSA-N 368.401 -0.508 30 20 FBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3C3CC3)C2)cn1 1041132589 CSPLYKCFYHTCAD-ZIAGYGMSSA-N 351.370 -0.005 30 20 FBED COCCn1nccc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041219596 DCBHLRKLVMKGGT-UKRRQHHQSA-N 356.386 -0.224 30 20 FBED Cc1ncnc(O)c1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1041298066 MZOVIVGJJAVWGQ-VXGBXAGGSA-N 358.333 -0.124 30 20 FBED N#Cc1cncc(N2CCC3(CC2)CN(C(=O)CC(N)=O)[C@@H]2COC[C@@H]23)n1 1041699664 HQTFSNMNTMWFGZ-UONOGXRCSA-N 370.413 -0.333 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 1041950372 ZRJWLMHWUDTCNL-ZYHUDNBSSA-N 357.374 -0.817 30 20 FBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 1042039650 GKWWJXSQRUTLEO-LSDHHAIUSA-N 352.431 -0.059 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CN1CCC(=O)NC1=O 1042180720 ZSRDITANYALMSA-ZYHUDNBSSA-N 357.374 -0.769 30 20 FBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)[C@H]1COCCN1C 1042794338 BXYNKNOMXWUQJO-RBSFLKMASA-N 360.418 -0.693 30 20 FBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)c1cnn(C)c1N 1042805043 SLDRDOPWTJFLLV-CHWSQXEVSA-N 356.390 -0.394 30 20 FBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 1042924263 RSIKQFHGEDYHSG-UXIGCNINSA-N 364.427 -0.292 30 20 FBED COc1c[nH]c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2OC)cc1=O 1042930590 RMUUWHMQNQIUDM-IUODEOHRSA-N 370.369 -0.321 30 20 FBED C[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043239046 AAFBCIKOAGLPCX-RVRXJTJDSA-N 369.385 -0.983 30 20 FBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)n1 1043952504 DPPYFRBKDDZFQW-KGLIPLIRSA-N 368.397 -0.562 30 20 FBED Cc1nc(C)c(CC(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)c(O)n1 1043958220 SRLXUDFTVXGVQH-CABCVRRESA-N 368.397 -0.026 30 20 FBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)c1 1043985158 XTVNXKXIKZCNGC-CABCVRRESA-N 366.381 -0.313 30 20 FBED N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1047317415 UGCSSRCXLJVBCG-WDEREUQCSA-N 369.389 -0.564 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 1048207588 OTOBOGIJPXISOY-ABHRYQDASA-N 368.434 -0.944 30 20 FBED N#Cc1ccc(NCc2cc(O)nc(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)nc1 1048432210 KAXFEXDJLUADGW-NEPJUHHUSA-N 367.369 -0.201 30 20 FBED C[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1c1cnc(C#N)cn1 1050294791 UTUKMGIUYXXDRQ-KOLCDFICSA-N 352.358 -0.366 30 20 FBED N#Cc1nccnc1N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cocn2)C1 1051423481 ICMUPUANRHPGPW-YPMHNXCESA-N 351.330 -0.212 30 20 FBED C[C@]1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2n2ccnn2)CCOC1 1051444624 WGVPEYBQWYDEDU-KEYYUXOJSA-N 368.401 -0.088 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1052925146 KJMRNFRHYIJZQR-IJLUTSLNSA-N 364.431 -0.772 30 20 FBED N#Cc1nc(=NC[C@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc[nH]1 1060305943 PNSYPAJXZNBGOQ-FRRDWIJNSA-N 358.402 -0.404 30 20 FBED C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1061616586 NOOCAUIXJUZHOQ-HZSPNIEDSA-N 367.446 -0.035 30 20 FBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1065065797 VDPXASONVFPIIK-JYJNAYRXSA-N 361.442 -0.094 30 20 FBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1069988181 LCWZXMCTDCCCOV-RDBSUJKOSA-N 368.388 -0.781 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1070070465 CPSBXSPBZGCISE-OAGGEKHMSA-N 358.446 -0.099 30 20 FBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 1070071741 IRYJIDBPJWLWNT-KFWWJZLASA-N 365.459 -0.532 30 20 FBED C#CCN[C@@H]1CN(C(=O)c2ccnc3nc(C)nn23)C[C@@H]1n1ccnn1 1070310301 UHIVDTYVRRAZCR-OCCSQVGLSA-N 351.374 -0.687 30 20 FBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cnc(O)n4C)C3)[C@@H]2C1 1070917945 OSDLTGTWERCYDW-YUTCNCBUSA-N 359.386 -0.522 30 20 FBED Cn1cnn(CCC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)c1=O 1071074378 FTRJORPAILUUIT-ZBFHGGJFSA-N 362.434 -0.519 30 20 FBED NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 1077336906 QEBKXCSBOQHORK-KZNAEPCWSA-N 370.453 -0.010 30 20 FBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1080861113 ISCZYBBFGVFTJC-OWCLPIDISA-N 365.474 -0.165 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2OC)CC1 1082384040 AAQHQEAXLDMDHK-HZPDHXFCSA-N 360.462 -0.524 30 20 FBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1083578103 UZZSIHQBXKCKQY-UTUOFQBUSA-N 360.252 -0.075 30 20 FBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F 1083593497 PCNPRUBRZLUHAX-BMFZPTHFSA-N 360.389 -0.115 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]2O)c1 1083765350 ZLSMNIXBUXDVDF-KGLIPLIRSA-N 356.386 -0.513 30 20 FBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1c1cnn(C)c1 1087005415 AWEFNKVHQRLIDM-RVSPLBMKSA-N 353.430 -0.140 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nc3cc(F)ccc3o2)C[C@H]1O 1090407412 YZVGFUHRMKYOIK-CHWSQXEVSA-N 360.345 -0.228 30 20 FBED CC(=O)NCCCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090422013 XELHENULWNIMSD-ZIAGYGMSSA-N 360.418 -0.290 30 20 FBED CC[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)N1CCCC1=O 1090429267 YEOAWBMZELLTTO-MGPQQGTHSA-N 358.402 -0.585 30 20 FBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1090510173 OOFMLOZLQFQPFS-XHBSWPGZSA-N 361.406 -0.586 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1OC 1090869578 TYBSUQUNSSXNBB-HZPDHXFCSA-N 361.446 -0.013 30 20 FBED Cc1ccn(C[C@@H](C)C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n1 1091154168 YKLQQBGFOOKFIP-DFBGVHRSSA-N 355.402 -0.145 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1n1ccnn1 1092099921 OQNMTQPGFOMBNA-CABCVRRESA-N 355.402 -0.037 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CN1CCOCC1=O 1092455717 LGHJXNBUDLQSFZ-CHWSQXEVSA-N 358.402 -0.604 30 20 FBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(C)CN(c2nccnc2C#N)CCO1 1092779590 VJIPUBOFUJTJMY-JDFRZJQESA-N 361.402 -0.136 30 20 FBED CC(C)[C@@H]1N(C(=O)CN2C(=O)CCC2=O)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093478613 RPIHVMNUDVGERK-OSLDLMBLSA-N 362.430 -0.375 30 20 FBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2=O)C1 1094749589 QDFFAFLOHSKEIH-VNHYZAJKSA-N 370.881 -0.141 30 20 FBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2C(=O)CCC2=O)nn1 1096126849 JZQNMORGXSCCGU-IPYPFGDCSA-N 372.429 -0.052 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@]2(C)C1 1101271764 VZYHDDVKUVZEFA-KUHUBIRLSA-N 371.441 -0.443 30 20 FBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 1101493460 DIVMCEWERPPDOK-JCGVRSQUSA-N 362.430 -0.878 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CCCS(C)(=O)=O)C1 1102460592 DYJZHPWQPFGLEI-RBSFLKMASA-N 371.503 -0.367 30 20 FBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)c2ccco2)C1 1102547301 SAQLSOXOZZCOBD-ZIAGYGMSSA-N 362.430 -0.004 30 20 FBED 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Cn1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1-n1cccc1 1024973340 DMSKJLHCNALFRJ-HZPDHXFCSA-N 367.409 -0.074 30 20 FBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C(N)=O)co3)C2)[nH]1 1025667666 PTNBZWZOELVDKE-VXGBXAGGSA-N 357.326 -0.806 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1O 1025709720 XKIUGGTWSYCHFP-JHEVNIALSA-N 368.821 -0.034 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(CC(=O)NC)no1 1038714721 UFNHKPLMUNGBBY-UPJWGTAASA-N 363.418 -0.360 30 20 FBED N#Cc1cnc(N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2n2ccnn2)cn1 1039612135 RTNZCCKJBSAJPA-OLZOCXBDSA-N 364.373 -0.230 30 20 FBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1041164220 FLPIQJWNPMXFEQ-UXIGCNINSA-N 364.427 -0.556 30 20 FBED Cn1cnc2c(C(=O)N[C@@H]3CN(c4cncc(C#N)n4)C[C@H]3O)ccnc21 1041332454 DBVSMYDWTIYUNT-CHWSQXEVSA-N 364.369 -0.391 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)nn1 1042210918 HPLMBTLXMBGPII-DGCLKSJQSA-N 356.390 -0.159 30 20 FBED CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCCNC1=O 1042908124 QYGPGNCNLOQZDB-MRVWCRGKSA-N 361.377 -0.062 30 20 FBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CN1CCCNC1=O 1043025418 QZXRSHVYFPTYJQ-CHWSQXEVSA-N 359.390 -0.917 30 20 FBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)c1ccc(C(N)=O)o1 1043031198 DTSBMWGCWUZDBG-BXUZGUMPSA-N 370.369 -0.018 30 20 FBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1043568365 LTURBIPRJSYSBK-OLZOCXBDSA-N 353.419 -0.830 30 20 FBED C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1N=c1cc[nH]cc1C#N 1043573006 YFZAAMSYHVQPIL-ZWNOBZJWSA-N 354.374 -0.975 30 20 FBED N#Cc1cnc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2cc3n(n2)CCO3)cn1 1043813642 ACLHACVAEQBYPZ-UONOGXRCSA-N 367.369 -0.333 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3nc4ncccn4n3)C2)nc1 1043958567 GEJLYYRUDPDTAH-OLZOCXBDSA-N 364.369 -0.701 30 20 FBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C(N)=O)cn3)C2)n1 1044016067 FLYCFAHBORCRKE-KGLIPLIRSA-N 367.369 -0.870 30 20 FBED Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)cn1 1044736509 PYJPJFHBJLFCCR-KGLIPLIRSA-N 355.402 -0.046 30 20 FBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)CC1=O 1044783603 CIKQYRIMXQJTPH-YUTCNCBUSA-N 361.377 -0.374 30 20 FBED C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1c1cnc(C#N)cn1 1051157614 BWYOVHKECRJSTH-YPMHNXCESA-N 364.431 -0.533 30 20 FBED N#Cc1cncc(N2C[C@H](n3ccnn3)[C@H](NC(=O)c3ccnnc3)C2)n1 1051467871 AMPDTIUJNVNVIE-KGLIPLIRSA-N 362.357 -0.410 30 20 FBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)n1 1055058518 CGQCMRNZYQNUNB-WOPDTQHZSA-N 354.370 -0.373 30 20 FBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 1055374831 XTUUJLRXLVCZKQ-APIJFGDWSA-N 370.413 -0.179 30 20 FBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)[C@@H]1C 1057738580 CCPPVQRSSWFSAT-ZACQAIPSSA-N 364.490 -0.639 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)OC 1061356499 HTEBGSGWKDATAR-UPJWGTAASA-N 355.391 -0.723 30 20 FBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1065279334 YPHOLRDYQYXXPU-QLFBSQMISA-N 367.446 -0.176 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1068197140 QXRAMHSIBJNDLG-ZUWCUPBKSA-N 354.414 -0.129 30 20 FBED C=CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1068994302 DHSKJZIEVFORGG-HZSPNIEDSA-N 365.430 -0.138 30 20 FBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1069995806 APLPQMOVMPFJLX-KGLIPLIRSA-N 353.390 -0.053 30 20 FBED C#CCCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnnn2C)CC1 1070370869 PMHRXQKYYYAFFK-PBHICJAKSA-N 358.446 -0.073 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](NCCO)[C@H](c3cn(C)cn3)C2)nn1 1070544139 IDZSBZLGEHODEH-DZGCQCFKSA-N 359.434 -0.222 30 20 FBED C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070564206 ZXPOWIFAROYMTO-HLLBOEOZSA-N 360.462 -0.204 30 20 FBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1078026228 KMYMXHKPWSSSMQ-ZIAGYGMSSA-N 356.386 -0.803 30 20 FBED N#Cc1ccc(C(=O)NC2(CO)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)[nH]1 1080820861 ZHMBYWRSANDXID-NEPJUHHUSA-N 359.386 -0.909 30 20 FBED N#Cc1ccc(F)cc1CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1083734527 JZMMXHMUCCCMGI-CABCVRRESA-N 357.345 -0.244 30 20 FBED C[C@@H](CC(N)=O)C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2ccc(C#N)nn2)C1 1089092314 JMHODWHORRHQFY-UHTWSYAYSA-N 369.389 -0.685 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)nc3c2CCCC3)C[C@H]1O 1090407005 NHQUBUPQQDZYNN-HZPDHXFCSA-N 371.441 -0.531 30 20 FBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O 1090711143 GDGVDYLOXDVJDZ-KGYLQXTDSA-N 356.386 -0.118 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](Nc2ncc(C(=O)OC)cn2)[C@H](C)C1 1090973624 RBDGXZFTMJGHLV-DGCLKSJQSA-N 359.386 -0.339 30 20 FBED C#CCCCC(=O)N1CCO[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]21 1091040568 DJZZSULHVDBZLE-QWHCGFSZSA-N 355.402 -0.022 30 20 FBED CS(=O)(=O)CCC(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1091059812 MEIMCADWMKDXBC-QWHCGFSZSA-N 365.415 -0.801 30 20 FBED CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091153114 ROSMMYBQBLXULY-OAGGEKHMSA-N 369.429 -0.554 30 20 FBED CN(CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)c1ccncc1 1091159192 BTSBEMKNELXCIN-CVEARBPZSA-N 367.413 -0.065 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1n1ccnn1 1092097387 YUVYWKMIQDYSPM-KEYYUXOJSA-N 368.401 -0.187 30 20 FBED Cn1cncc1[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1092313252 FKJWQQZIKPXEFK-TZMCWYRMSA-N 368.401 -0.817 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CCS(C)(=O)=O 1092460546 PSEIRLPKXAVGRU-VXGBXAGGSA-N 351.432 -0.029 30 20 FBED C=CCCN1CCN(C(=O)[C@@H]2CCNC(=O)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649712 LCUWMVWQFMKAAU-SOUVJXGZSA-N 369.487 -0.211 30 20 FBED CC#CCN1CCN(C(=O)[C@H](C)c2cncnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094656447 ZTNZOOXKDVPLGR-VNQPRFMTSA-N 362.455 -0.087 30 20 FBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2=O)C1 1094766798 NRHNKBWIKUPERU-ILXVDBEPSA-N 361.442 -0.538 30 20 FBED C#CCCCC(=O)N1C[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@]2(C)C1 1101216816 KZYHLEGGTGGAMY-BEFAXECRSA-N 360.458 -0.471 30 20 FBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@H]1CCCCC(=O)N1)C2 1101362007 OJNBQVBCVKKJLP-LBTNJELSSA-N 361.446 -0.535 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCO2)C1 1101746978 MSECGCMAJZLHMA-MGPQQGTHSA-N 368.434 -0.902 30 20 FBED COCC#CCNCC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1104901639 JSYHDTAHFAZDCJ-HUUCEWRRSA-N 364.446 -0.396 30 20 FBED C=CCOCCNCC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1105063778 FOJXAQJWLFTDDL-ZIAGYGMSSA-N 364.450 -0.346 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCCNS(=O)(=O)CC)C1 1106065061 OGDGOQHTAWAXEF-FMKPAKJESA-N 361.508 -0.063 30 20 FBED CCC(CC)C(=O)NCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107106184 YRSQFVQEOAFLAB-UKRRQHHQSA-N 365.478 -0.137 30 20 FBED CC#CCN1CCN(C(=O)CCCN(C)C(C)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108488858 MZTIVRHOFZFWOE-JKSUJKDBSA-N 369.487 -0.422 30 20 FBED CN(C)c1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cn1 1109285854 PYNLGPLOCIFFMX-DYEKYZERSA-N 357.418 -0.483 30 20 FBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1ccoc1 1109321356 UBIJOOWGAZAZTJ-UKMLZYKCSA-N 372.425 -0.131 30 20 FBED CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109979038 QDXCEJYCVAZESD-UHXUPSOCSA-N 364.450 -0.569 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C1CC1 1110466643 UVJOQOJZJOQXOK-MIGQKNRLSA-N 360.458 -0.238 30 20 FBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1111025147 OOPQBBFDUAINFY-QMIVOQANSA-N 361.446 -0.409 30 20 FBED Cn1nccc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1112060898 BSXVGOQOLUZKMS-NXEZZACHSA-N 358.324 -0.348 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCC[C@]3(CNCC(=O)NC(N)=O)C2)c1 1112294284 FZUGTRDXKLTTES-SJCJKPOMSA-N 358.402 -0.087 30 20 FBED C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(CNCC(=O)NCC#N)C2)CCNC1=O 1112528612 JFHXLSVIMLKSIR-KKXDTOCCSA-N 361.446 -0.629 30 20 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C=CCCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)nn1 972379422 WPONMUUJUYDJML-GUIRCDHDSA-N 372.429 -0.352 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 981882668 CCGVCDPDVDEPES-YNEHKIRRSA-N 360.418 -0.385 30 20 FBED C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 992740802 OVIJPDVJARIQFY-XTQGRXLLSA-N 356.386 -0.512 30 20 FBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cscn2)[C@H]2CS(=O)(=O)C[C@H]21 995450369 GIYOIQNIBJQIQN-JLLWLGSASA-N 368.440 -0.247 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)OC2(CCN(C(=O)C(N)=O)CC2)C1 1006782988 KLXOXGIWHHKJRG-MCIONIFRSA-N 365.430 -0.329 30 20 FBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]23)nc1 1013513053 JJXVHZKWFXYFIF-NZBPQXDJSA-N 368.393 -0.718 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1013801528 BESQMXUUJCEYOJ-RFGFWPKPSA-N 368.393 -0.598 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]12 1013816222 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CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)CN1CCOCC1 1042795674 VOPSWKXNXVELGJ-HUUCEWRRSA-N 360.418 -0.691 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCCOC)C1 1043246131 CYMKYKMLURFCGD-ILXRZTDVSA-N 370.446 -0.291 30 20 FBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1Nc1ccc(C#N)nn1 1043388998 ZIPMJRWNXOMLNT-ZYHUDNBSSA-N 355.358 -0.430 30 20 FBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cnc4[nH]ncc4c3)C2)n1 1044277348 CKWXZQAUPGHIEO-KGLIPLIRSA-N 364.369 -0.093 30 20 FBED CC(C)N1C[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)CC1=O 1044697851 YEFMLTNGOWNFBL-WQVCFCJDSA-N 357.414 -0.124 30 20 FBED N#Cc1cncc(N2CC[C@@]3(CNC(=O)[C@@H]4CNC(=O)N4)CCC[C@@H]23)n1 1054768417 KROJPUFQOHYMDY-OGHNNQOOSA-N 355.402 -0.105 30 20 FBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)n(C)c1=O 1055044281 KFJVAXOKTUJGEU-AGIUHOORSA-N 353.386 -0.075 30 20 FBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1056128808 TVKGQORFGZMHJV-KHYOSLBOSA-N 363.458 -0.016 30 20 FBED 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FBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778790067 LXBAPNMBZMVPCU-XJKSGUPXSA-N 355.391 -0.543 30 20 FBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938227 NLTWZCFXWFWWNS-INIZCTEOSA-N 366.443 -0.389 30 20 FBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1785014463 DOOLMZBFUDPBTM-IHRRRGAJSA-N 369.487 -0.027 30 20 FBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388022 IZOXNMCEIWEQMT-BUONHZGMSA-N 369.487 -0.191 30 20 FBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)CC1 1798730724 HYLCRSJMRNNPFR-GNXNZQSNSA-N 360.370 -0.326 30 20 FBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800514586 GMFMAMNPMLKOSQ-JFILPPLUSA-N 353.419 -0.567 30 20 FBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800989815 SGHZCOTYLVRLBG-MHVMWVFRSA-N 374.459 -0.490 30 20 FBED C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812531949 ZWTATZWFWVNVTK-KXBFYZLASA-N 365.393 -0.023 30 20 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FBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cnn(C)c2C#N)C1 477016261 CAUOLEMNUWGXPZ-LBPRGKRZSA-N 369.447 -0.196 30 20 FBED N#Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 563094683 JHFGUIAFIQEBHK-UHFFFAOYSA-N 370.413 -0.342 30 20 FBED C=CCn1cc(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nn1 563881707 NXMQQSBNNMDDKI-UHFFFAOYSA-N 355.358 -0.660 30 20 FBED N#CCCS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 570807218 QCUYONASDYJCIL-UHFFFAOYSA-N 372.472 -0.118 30 20 FBED CCOC(=O)[C@](C)(O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 576557024 UYWSHKKAGIYBTD-OAHLLOKOSA-N 369.399 -0.733 30 20 FBED CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccnn1C 578024076 MRQPPQBNMKERCH-WBMJQRKESA-N 358.402 -0.476 30 20 FBED Cc1c([C@@H]2[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C)cnn1C 581497710 DZGKLROTXWUNRX-DYVFJYSZSA-N 372.429 -0.168 30 20 FBED CN1CCC[C@H](N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 619710118 IPZSSMKDURNEBW-LSDHHAIUSA-N 357.480 -0.833 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)OC)nc2)CC1 733150173 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C#CCCCCC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810836 IVHUIXGLIZKBBB-UHFFFAOYSA-N 363.414 -0.074 30 20 FBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1846194706 IGNHNAUQKLIQTM-UHFFFAOYSA-N 370.365 -0.897 30 20 FBED C=CCN(Cc1nc(N)nc(N(C)C)n1)Cc1nc(N)nc(N(C)C)n1 28963572 DCXGKJIKDXICOK-UHFFFAOYSA-N 359.442 -0.459 30 20 FBED N/C(=N/CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 262009647 SYDQOMRSHYXXAU-UHFFFAOYSA-N 357.392 -0.480 30 20 FBED C#Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)c1 267588187 UBUOECRRSFGQMD-UHFFFAOYSA-N 372.425 -0.487 30 20 FBED Cc1cccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C#N 269906707 ZPCKIKRFPHHLRV-UHFFFAOYSA-N 372.472 -0.539 30 20 FBED C#CCN(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 276921810 HEZWBZNIMAEOKP-UHFFFAOYSA-N 365.455 -0.111 30 20 FBED CCOC(=O)CO/N=C(/C(=O)N1CC[S@@](=O)C[C@H](C)C1)c1cc[nH]n1 278359508 PTDDVFAVHHSERN-XOJSGNJYSA-N 370.431 -0.080 30 20 FBED CCN(CCCNC(=O)C(=O)NCc1cccc(C#N)c1)S(C)(=O)=O 283840761 FGUMVAQPNAYKTO-UHFFFAOYSA-N 366.443 -0.038 30 20 FBED CN(C)c1nc(N)nc(CO/N=C(\N)c2cn(Cc3ccccc3)nn2)n1 288917249 RVDHQVRVIFFPSH-UHFFFAOYSA-N 368.405 -0.003 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2([S@](C)=O)CCC2)C1=O 289716437 PEJVSLLPCNSFSF-MCFWBGNESA-N 355.460 -0.351 30 20 FBED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 290416666 UVTZPXGFDWSAGY-CQSZACIVSA-N 351.384 -0.096 30 20 FBED CC(C)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nc(-c2nnc[nH]2)no1 301804395 UUBWJEOULJTEJC-SECBINFHSA-N 371.361 -0.067 30 20 FBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCO1 349550481 IKAIWXFLMKDFLG-NEPJUHHUSA-N 365.477 -0.161 30 20 FBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](F)[C@H](F)C1 349610529 RFBGMRUYSSXAJO-GARJFASQSA-N 359.420 -0.080 30 20 FBED C=CCNC(=O)Cc1noc(CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 350696940 XFAHEJJPIJFMKA-RPVFDAQASA-N 360.370 -0.381 30 20 FBED COC(=O)C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 362482555 FLOMVLGPDKMCHL-JKSUJKDBSA-N 366.462 -0.057 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1 363539056 FICKGIZCFOMSPC-UHFFFAOYSA-N 370.453 -0.371 30 20 FBED COC(=O)c1cn([C@@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)nn1 368855257 RKJLDMKMYDOIKW-CYBMUJFWSA-N 359.390 -0.033 30 20 FBED N#C[C@H]1CN(S(=O)(=O)NCCCc2nnc3n2CCCCC3)CCO1 410136281 IMCFEKBYZXWQES-ZDUSSCGKSA-N 368.463 -0.004 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[S@](=O)C1 482359382 HAZNWRJONOZTSH-HFGRPIQASA-N 355.441 -0.138 30 20 FBED COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 484461969 CJDGCVIOOMIBAV-MFKMUULPSA-N 369.399 -0.471 30 20 FBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CO)COC 484970657 HGPHDNDENPDKCS-GFCCVEGCSA-N 351.359 -0.355 30 20 FBED Cc1onc(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1C#N 500128612 BGRZNYBOTQPWPD-LBPRGKRZSA-N 354.432 -0.026 30 20 FBED CN(C)C(=O)[C@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)O1 517732324 BTIKIAMSYZBSHH-UONOGXRCSA-N 366.443 -0.048 30 20 FBED CN1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 520246498 OELZJVYNUOWZMA-UHFFFAOYSA-N 351.432 -0.146 30 20 FBED CCCCS(=O)(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 534852900 QWWCYEVIDOYDAY-UHFFFAOYSA-N 360.480 -0.220 30 20 FBED C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCCn1cnc(C#N)n1 561272397 DFHLPSKDKDTWFD-JTQLQIEISA-N 352.358 -0.039 30 20 FBED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)nc1 568461372 GKTBJORYDICSBG-UHFFFAOYSA-N 370.434 -0.488 30 20 FBED CC(CN1CCN(C(=O)CC#N)CC1)CN1CCN(C(=O)CC#N)CC1 570736127 HIUHDGSZWLQNHA-UHFFFAOYSA-N 360.462 -0.262 30 20 FBED CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 580525402 HORUFMLTCLCCDA-AWEZNQCLSA-N 362.434 0.138 30 20 FBED C=CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H](C)COC 617579992 OUQBYKFEATWOIY-JTQLQIEISA-N 358.420 -0.559 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC(N)=O)cc2)C1=O 623181447 FMZGTTARCMFHGH-UHFFFAOYSA-N 360.326 -0.534 30 20 FBED CNC(=O)CN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742489142 WKFZVAHFNNGQMY-SNVBAGLBSA-N 352.416 -0.292 30 20 FBED COC(=O)[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 751168635 AXFCFIMRDQDZAJ-YNEHKIRRSA-N 370.427 -0.068 30 20 FBED CC(C)NS(=O)(=O)NCCNC(=O)NCCNc1ccc(C#N)cn1 758338189 PMBBNFOACVSCHS-UHFFFAOYSA-N 369.451 -0.503 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(=O)n(C)[nH]1 765494666 PFWAXJMORHNOHM-VIFPVBQESA-N 365.371 -0.610 30 20 FBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 773593380 PUEVMSRKWYDKQT-IHRRRGAJSA-N 358.464 -0.311 30 20 FBED C#CCN1CCN(C(=O)CN2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 773965793 UIAXRYDPKGBNKN-IRXDYDNUSA-N 353.463 -0.890 30 20 FBED COC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 778503773 CNPGILFQTOINNW-SNVBAGLBSA-N 355.372 -0.971 30 20 FBED C=CCNS(=O)(=O)c1cc(C(=O)NN2CC(=O)N(C)C2=O)ccc1F 779546055 BCSONDGRHIJKQY-UHFFFAOYSA-N 370.362 -0.171 30 20 FBED C#CCOCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 784769123 WBPDVBJFOWHFMW-UHFFFAOYSA-N 367.427 -0.567 30 20 FBED N#Cc1cccnc1NCCNC(=O)C(=O)N(CCO)C1CCOCC1 787758714 JLYJUVUNZHMPFK-UHFFFAOYSA-N 361.402 -0.519 30 20 FBED C#C[C@@H](NC(=O)C(=O)NCCCCN1CCN(CC)CC1)[C@@H]1CCCO1 787908540 HUZHTSGSXVZKMN-SJORKVTESA-N 364.490 -0.183 30 20 FBED COCCN1C[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 800130578 AKUHGGSQADGXJI-SNVBAGLBSA-N 359.342 -0.155 30 20 FBED Cn1c(=O)c2c(ncn2CC(=O)OCCCSCC#N)n(C)c1=O 805341049 KVRMZJHOGWDBII-UHFFFAOYSA-N 351.388 -0.376 30 20 FBED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 816754294 AONOYEVNLSSGCR-CYBMUJFWSA-N 366.399 -0.011 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 828750068 MVHMOLDZLJEJHG-HNNXBMFYSA-N 358.464 -0.851 30 20 FBED C#CCSCC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 889580863 LVGULIGVQNNBMR-UHFFFAOYSA-N 356.473 -0.072 30 20 FBED C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 923585207 VYRMJRUEMDFDEU-IRXDYDNUSA-N 362.474 -0.619 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1OC 942516408 BZTXHPYMFFPUJH-OWCLPIDISA-N 357.414 -0.470 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2cncnc2O)C1 944641750 RQGDRQBKLLGTNV-BZPMIXESSA-N 362.386 -0.270 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C)nn1 949024267 SCKMTOLYKYIGAL-HZSPNIEDSA-N 363.418 -0.154 30 20 FBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 950929854 LBBSWYAXDMRMBX-ZWNOBZJWSA-N 370.369 -0.574 30 20 FBED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@H]32)[nH]1 960259150 OAKRFQHXLVIPHN-ZNMIVQPWSA-N 360.370 -0.646 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CCN3CCCS3(=O)=O)C[C@H]12 961812282 FJYIOTCYSCKAHA-QPSCCSFWSA-N 369.487 -0.341 30 20 FBED CN(C)c1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ccn1 962343500 RQPOKCLWWQCZED-CABCVRRESA-N 368.397 -0.037 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCC4)C[C@@H]2O)[nH]1 962346804 GLJJVELCOKIVCH-CABCVRRESA-N 354.370 -0.356 30 20 FBED CCc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n(C)n1 962388839 IEHHZKKTFNKBBD-HIFRSBDPSA-N 356.386 -0.202 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 962948732 KALVHFSDFBNCQC-GLQYFDAESA-N 354.370 -0.272 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4c[nH]nc4C3)C2)[nH]1 964949478 VYSBFJBIWAWABV-GTTSAUCSSA-N 368.397 -0.284 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1O 967136948 CEJZCFJEXSJVDK-NFAWXSAZSA-N 361.398 -0.071 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 967137053 DMFWXAINZQRGEV-HIFRSBDPSA-N 360.414 -0.402 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3CC)C[C@@H]2O)c1 970414029 CWYICOFEJGKKHX-SJORKVTESA-N 367.409 -0.026 30 20 FBED C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)N1C(=O)CCC1=O 972089683 PZJUAFRULPDBFP-NWANDNLSSA-N 357.410 -0.003 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 973333178 CDYYWGACJNWGCU-SUJAAXHWSA-N 365.430 -0.412 30 20 FBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 974143409 RDJSFYXXFQKIRQ-QNWHQSFQSA-N 360.418 -0.435 30 20 FBED C=CCn1cc(C(=O)NC[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 975290930 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N#C[C@]12CN(C(=O)c3cnccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1581860156 MQOFZRLUASNVNB-LKFCYVNXSA-N 359.371 -0.728 30 20 FBED C#CCOCCC(=O)NCC1[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]12 1588362097 VZWYTDPGLMSIND-CHWSQXEVSA-N 368.401 -0.505 30 20 FBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1589380210 PWYYEUFNOMYRDU-SMDDNHRTSA-N 371.401 -0.454 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCn3nc(C(=O)O)cc32)CCO1 1601063050 NCJDAMRWSXTEKQ-NXEZZACHSA-N 355.376 -0.525 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)CCO1 1601063708 XPNFJEVUUSCHRE-WDEREUQCSA-N 370.391 -0.918 30 20 FBED C#CCN1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 1602721788 WLDWHTFXXYJUBJ-CYBMUJFWSA-N 354.418 -0.340 30 20 FBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]12 1602792877 IPTXKVYFRFJMJN-YXPOGWMNSA-N 370.417 -0.218 30 20 FBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602793333 MCQIRWREPDURIJ-MEDUHNTESA-N 358.406 -0.074 30 20 FBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1604685841 GTVBQFDBUDEFMM-UHFFFAOYSA-N 371.405 -0.106 30 20 FBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CCC(=O)NC1=O 1606338021 PRVLBULPNAQOOQ-NWDGAFQWSA-N 354.326 -0.103 30 20 FBED CCOC(=O)N(C)CCCC(=O)NCCn1cc(C#N)c(O)nc1=O 1630034477 CJRVXVWBAWAURI-UHFFFAOYSA-N 351.363 -0.195 30 20 FBED C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)CCOCC1 1756986580 KBLZCISLMCEXJW-HUUCEWRRSA-N 361.398 -0.275 30 20 FBED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)C(F)(F)F 1781803885 ZWRCJMJWLUKUOV-QMTHXVAHSA-N 366.336 -0.071 30 20 FBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1783568455 XKVBBTWMNAVWOE-SUMWQHHRSA-N 350.371 -0.669 30 20 FBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792717491 JITZFFJTWQEVSJ-DACLVMHWSA-N 358.394 -0.049 30 20 FBED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1797697020 IYYIAQUVRKYLJC-OFTGVCEQSA-N 372.491 -0.398 30 20 FBED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)nn1C 1798760020 FURYBLOWGUEDTR-NJBDSQKTSA-N 368.459 -0.050 30 20 FBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800132320 UFFXSXFJSKGKEV-QHBPRCKVSA-N 372.360 -0.015 30 20 FBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnncc1C(=O)O)C2 1801988481 FDAVSKCQEDQPOM-JGPRNRPPSA-N 372.337 -0.485 30 20 FBED C#CC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1812532757 BEJUNTOOEQAXJA-IFXJQAMLSA-N 366.377 -0.354 30 20 FBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835860595 ZYRFUHYVYITUTL-KRWDZBQOSA-N 362.386 -0.401 30 20 FBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1839806979 JVYABTGKBAQCCF-SFHVURJKSA-N 359.382 -0.207 30 20 FBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC)CCO2 1840322818 YZAHNRVRGQDKHD-MRXNPFEDSA-N 355.391 -0.625 30 20 FBED CC[C@H](C)[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)C(=O)OC 21593288 FDVBESUAKKJVGY-GWCFXTLKSA-N 350.375 -0.395 30 20 FBED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C#N)nc1 265415613 OHISDBWOEJIKKA-UHFFFAOYSA-N 368.415 -0.551 30 20 FBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1 274415408 COSQGIDVNQTUMB-MFKMUULPSA-N 356.400 -0.197 30 20 FBED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1C#N 275798962 ZJMHFWBVJOSPLE-NSHDSACASA-N 350.331 -0.465 30 20 FBED C[C@H](O)CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CO 276112347 KTVWXEBZMMGWRA-FRRDWIJNSA-N 369.443 -0.185 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 291656928 XDKHQIXBZMCEBT-UHFFFAOYSA-N 373.456 -0.781 30 20 FBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCC[C@H]2CN2CCOCC2)C1 328734907 KJZDQOSANMQEJU-CABCVRRESA-N 374.507 -0.022 30 20 FBED O=C1CCCCN1C/C(O)=N/[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 329178276 MGPIZOCUGGKFKW-OLZOCXBDSA-N 359.448 -0.547 30 20 FBED Cn1cc(N2CCC[C@H](N/C(O)=N/[C@H]3CCCS(=O)(=O)C3)C2=O)cn1 329782057 NRDKAVXZXLYTKF-AAEUAGOBSA-N 369.447 -0.004 30 20 FBED CNS(=O)(=O)NC1CCN(/C(O)=N/CCCN2CCOCC2)CC1 331228524 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C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)NC(C)(C)C 464851697 AHASNPILHJXIGG-CYBMUJFWSA-N 373.461 -0.110 30 20 FBED N#C[C@H]1COCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 471236680 XKDDVSVQDGNOAB-ZDUSSCGKSA-N 352.416 -0.783 30 20 FBED Cc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1S(N)(=O)=O 499492659 NUZMBOKRUCZNTA-LBPRGKRZSA-N 374.444 -0.799 30 20 FBED C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(C#N)cc1 556037035 FADOPGHRXXGNOR-GXFFZTMASA-N 350.400 -0.375 30 20 FBED Cc1c([C@H]2[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C)cnn1C 581497712 DZGKLROTXWUNRX-SUMWQHHRSA-N 372.429 -0.168 30 20 FBED COC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588965195 LBGYEZQZVRPREF-UHFFFAOYSA-N 352.416 -0.482 30 20 FBED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CN(C)CCO1 589454959 XLJPBLQDYGOROU-WFASDCNBSA-N 366.443 -0.328 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc(N)n[nH]1 597668628 XTDXTKUXYLSOLV-VIFPVBQESA-N 363.403 -0.716 30 20 FBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)cc1 600763953 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359.430 -0.088 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1024822622 FCHYMKANIDOBIS-KWCYVHTRSA-N 362.386 -0.918 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(OC)ncn3)C[C@H]2O)nc1 1024926704 MKRFLRIKUIPJRU-HUUCEWRRSA-N 367.365 -0.523 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C34CCN(CC3)C4)C[C@H]2O)c1 1025551587 AUKIMGGQGSGEBM-HZPDHXFCSA-N 354.410 -0.540 30 20 FBED N#Cc1nccnc1N[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 1039611765 GUTWPEOHYGCRHO-KGLIPLIRSA-N 362.357 -0.092 30 20 FBED Cn1ncc2c(N3C[C@@H](O)[C@H](NC(=O)c4c[nH]c(C#N)c4)C3)ncnc21 1040957449 XLVOJPMOYLHRGN-CHWSQXEVSA-N 352.358 -0.457 30 20 FBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCc4c[nH]nc4C3)C2)n1 1041059599 PRIDATWCZXYNSH-COLVAYQJSA-N 353.386 -0.458 30 20 FBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1041202743 YWDBWZNHRXUPRZ-HFBAOOFYSA-N 365.397 -0.391 30 20 FBED N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)sc1Cl 1041336150 GDRZYJKJAXEHGR-HSLWUYEYSA-N 355.807 -0.545 30 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367.373 -0.605 30 20 FBED COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)c1cccnc1C#N 1606374102 FAJVIZFEKMGEJQ-KOLCDFICSA-N 353.356 -0.020 30 20 FBED N#Cc1ccc(S(=O)(=O)CCN2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1608209338 DMBQGQOWVFTLSV-CYBMUJFWSA-N 372.424 -0.484 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CCc1nc[nH]n1 1756657541 GRUMZGGPWKCNDF-UPJWGTAASA-N 351.407 -0.736 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CCOC)C[C@H]2OC)CC1 1757132294 OEGGBMRFJMYFED-HZPDHXFCSA-N 351.447 -0.290 30 20 FBED CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016949 WHTAPKCRQCYGHG-LSCADSNKSA-N 365.478 -0.150 30 20 FBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1780602278 VJFHETZPADZBKU-GOSISDBHSA-N 371.397 -0.330 30 20 FBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784254933 VQYBYWFTAOBFNO-CXAGYDPISA-N 367.402 -0.789 30 20 FBED Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1784455385 LCEYZHGZKHTMAY-RDTXWAMCSA-N 374.397 -0.330 30 20 FBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1784485477 MRYASRDBCJRDOH-QXKUPLGCSA-N 365.430 -0.861 30 20 FBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1786701425 HNMJODNIXWMKPV-AJNGGQMLSA-N 362.430 -0.204 30 20 FBED CC(C)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077220 QUNJZORYFVKXFQ-AJNGGQMLSA-N 366.414 -0.132 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794248282 JCGSGXIEOOGBNK-LLLHUVSDSA-N 373.409 -0.439 30 20 FBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)CC1 1795407946 FZFDEAUZZLLYDU-MIFYACCESA-N 362.430 -0.788 30 20 FBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)C1 1795438012 LOQMHWYXTLWLSR-ALXJQNPVSA-N 363.458 -0.126 30 20 FBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694835 NAEJDKKTAPRNJL-XOIINTDNSA-N 373.413 -0.384 30 20 FBED NC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831675686 WLUKOXAKRONPQU-CYBMUJFWSA-N 364.402 -0.638 30 20 FBED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354078 LULQDYQYJJFLLU-MRXNPFEDSA-N 362.390 -0.513 30 20 FBED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838077321 FYBJKLMBVMRWIS-INIZCTEOSA-N 350.463 -0.316 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840158689 OUKJSQKDKPDJOH-WQGACYEGSA-N 371.459 -0.960 30 20 FBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(F)(F)F)c1=O 80093752 NSSLFQJLYNQHDP-UHFFFAOYSA-N 362.308 -0.436 30 20 FBED C/N=C(/NCCN1CCOCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261830937 VLVXBQSUPAOHFX-QGZVFWFLSA-N 366.466 -0.796 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)C(=O)N(C)C 268827072 RDEMUXDJRQPSEV-QWRGUYRKSA-N 352.416 -0.182 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-c2nnnn2CC)c1 272049243 RKZPVNNQYKFBRE-UHFFFAOYSA-N 357.374 -0.283 30 20 FBED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1 274680334 NNKBCSVXSPXOCN-UHFFFAOYSA-N 364.836 -0.279 30 20 FBED 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C=C(Cl)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 759033212 CXOWALZXBMVPSW-UHFFFAOYSA-N 355.782 -0.451 30 20 FBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 761029343 NSVGLOOAKMHJAU-UHFFFAOYSA-N 355.416 -0.040 30 20 FBED Cc1cc(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C 771896533 BQUBAQNXJQSECX-UHFFFAOYSA-N 366.399 -0.281 30 20 FBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1OCCCO1 816315336 SYQHITIJEROBGM-UHFFFAOYSA-N 353.400 -0.006 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1 831565783 ZUIRJLVANDXNME-UHFFFAOYSA-N 359.448 -0.422 30 20 FBED C#CCO[C@@H](C)C(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 835033247 DLFBVDYBPJGDNP-NSHDSACASA-N 364.379 -0.233 30 20 FBED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CC)n2)c1=O 839203289 RDBVQLPYHGVKPY-UHFFFAOYSA-N 372.454 -0.264 30 20 FBED C/N=C(/NCCN1CCOCC1)NCc1cccc(CS(N)(=O)=O)c1 849066359 CKDZTLGENAMZNO-UHFFFAOYSA-N 369.491 -0.528 30 20 FBED C#C[C@@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)[C@H]1CCCO1 858370845 TVUOSEOSKWIYFT-HUUCEWRRSA-N 350.419 -0.453 30 20 FBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 875598718 JTMMIAFGXZOMNA-CYBMUJFWSA-N 361.402 -0.860 30 20 FBED C#CCN1CCC[C@H](NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)C1 884302036 JHFZREBZROSIQL-MCIONIFRSA-N 352.435 -0.161 30 20 FBED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O 916871335 UQNPHTXDVIHLDV-LLVKDONJSA-N 350.375 -0.287 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C)c1 940011791 CKPYFURCCQTWEJ-CZUORRHYSA-N 370.409 -0.502 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@H](OC)C2)cn1 942124065 XEPYWFZVLSFGJE-NUEKZKHPSA-N 370.409 -0.503 30 20 FBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CN1CCOCC1=O 948459726 SFBWHIJERZOOST-BXUZGUMPSA-N 359.386 -0.678 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@H]2OCCO[C@H]2C)CC1 950757880 IHHBDEFYMKWVJC-XIRDDKMYSA-N 363.458 -0.147 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 958859584 ZQXBWOBHDITKRS-RFGFWPKPSA-N 367.446 -0.491 30 20 FBED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)CC1 960875761 UVTWNJSQUPZAJM-BHYGNILZSA-N 358.442 -0.071 30 20 FBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)c1 960917287 QGEPGGNLIODIGJ-FXUDXRNXSA-N 368.393 -0.764 30 20 FBED COc1cnc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1 962335323 RWDTYSVQJUTMLB-OLZOCXBDSA-N 356.342 -0.700 30 20 FBED CC(C)(C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1cnc[nH]1 962389341 TTWOWVPGPPWUSU-OLZOCXBDSA-N 356.386 -0.111 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1O 967136843 BIFIGAISNITUOR-VNQPRFMTSA-N 362.430 -0.694 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1O 968346314 YBQVKQKRFHLGBW-PMPSAXMXSA-N 371.441 -0.805 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@@H]1O 968348329 ZKNVKQNKNBCMHH-SQNIBIBYSA-N 370.453 -0.098 30 20 FBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cncn3C)C2)nn1 968560659 UOEMNZJEUCPLJL-RISCZKNCSA-N 359.390 -0.797 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@@H]2O)nc1 969348132 GCTURPNIZHTAEA-CVEARBPZSA-N 366.377 -0.623 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 969414669 KWMMSEVURVUCOZ-SJORKVTESA-N 369.421 -0.479 30 20 FBED Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 969642313 SMIBPFUFPUBBML-NCZKRNLISA-N 368.397 -0.275 30 20 FBED Cc1cc(O)ncc1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 970425545 RVRGVAMXIBHUCY-KGLIPLIRSA-N 355.354 -0.089 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1O 970712205 ZOJPNSCBEBBJHL-WCVJEAGWSA-N 362.430 -0.368 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@@H]21 976587027 SYARJXJCQZJARP-PFHJDOJBSA-N 363.458 -0.129 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C1 980578800 AIHFNGVQMKACTL-SYQHCUMBSA-N 363.414 -0.263 30 20 FBED CC[C@@H]1[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CCN1C(=O)[C@@H](C)C#N 985186728 QRWYEQQKBCALPJ-ZMLRMANQSA-N 371.405 -0.037 30 20 FBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C)nn1 988068911 DZOGDBYRPYDXPK-MDZLAQPJSA-N 361.406 -0.793 30 20 FBED C#Cc1cncc(C(=O)N2CCN(C(=O)CC)[C@H]3CS(=O)(=O)C[C@H]32)c1 995448598 APMJBZPOLUJOOC-LSDHHAIUSA-N 361.423 -0.077 30 20 FBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COC(=O)N2)nn1 996878710 JJCAVTVHXDXGNT-WVWOOGAGSA-N 374.401 -0.176 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC(=O)N2)nn1 1003041542 MGSYDHWWLPEINN-BHPKHCPMSA-N 372.429 -0.006 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 1009105467 JGPILVIXEOYSCL-NGFQHRJXSA-N 360.418 -0.525 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 1010789687 RWPAIFXBPJUYPH-OLZOCXBDSA-N 360.418 -0.134 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 1013292013 NFXARGQYSKDFAQ-BLTAXRJOSA-N 370.409 -0.042 30 20 FBED N#Cc1c[nH]c(C(=O)N2CCCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 1019674630 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C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 1213745027 UXHGVKIHSSEXTM-RRFJBIMHSA-N 364.446 -0.719 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]1C 1215878011 BOYZTNVBQCLESG-UMVBOHGHSA-N 350.463 -0.277 30 20 FBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nnnn3CCC)C[C@@H]21 1217537464 DEPUPDRDTJYNHG-UONOGXRCSA-N 350.423 -0.303 30 20 FBED C[C@@H](C(=O)NCc1ccco1)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219420005 KVMKUHVNTYUVGP-XZJROXQQSA-N 371.397 -0.041 30 20 FBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@@H]1O 1219519538 SOGHFPUTNZADLH-GLQYFDAESA-N 364.833 -0.090 30 20 FBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)CN(C)C(=O)C(C)C)C2)C1=O 1219729971 QAWZMRKVYYYDLM-ILXRZTDVSA-N 366.462 -0.951 30 20 FBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1219733458 ORJHSRUDGUQISX-OAGGEKHMSA-N 353.463 -0.145 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 1219755582 BBMNHDOHPCPTMU-PEYYIBSZSA-N 361.446 -0.237 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1219774112 DWKLQZFQTIAEPK-CVEARBPZSA-N 361.446 -0.296 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 1220032146 JBYVWDWJPAYWFX-ZNMIVQPWSA-N 351.447 -0.508 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnc3ccccc3c2)C1 1220423873 DQRCXMJXFKBUGD-SJORKVTESA-N 352.394 -0.241 30 20 FBED C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 1220545930 VQHAZWTXEHPXAE-CFVMTHIKSA-N 364.450 -0.597 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1220654790 JNXXBXYVMXRWCG-CFVMTHIKSA-N 363.462 -0.450 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 1220676081 LLHRQQSGGIWWNC-OLZOCXBDSA-N 370.331 -0.375 30 20 FBED Cc1nc2cccc(C(=O)N[C@@H]3CN(CC(=O)NCC#N)C[C@@H]3O)c2[nH]1 1220681502 JBTDGZMSGXKLEI-KGLIPLIRSA-N 356.386 -0.714 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnc(C)nc2C2CC2)C1 1220877841 BWXHLLJVLLFURC-XZJROXQQSA-N 371.441 -0.425 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)COCc2ccccc2)C1 1220956598 BAHVBOACROAMOR-UAGQMJEPSA-N 359.426 -0.498 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCCOCC)C[C@H]21 1221516678 YUFRAGPTFTVXMA-RKVPGOIHSA-N 353.463 -0.001 30 20 FBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCn3ccccc3=O)[C@@H]2C1 1221590841 GQUHHAWDMPVSBP-GVDBMIGSSA-N 370.453 -0.091 30 20 FBED CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 1221731442 FYEOLQUZMWULSO-RRFJBIMHSA-N 363.462 -0.207 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCCN(C)S(C)(=O)=O 1226188489 SIAZTBDPUYMAFC-RRFJBIMHSA-N 359.492 -0.067 30 20 FBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230503000 UZYGWSGDEMXZCH-MGPQQGTHSA-N 365.459 -0.348 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1261456458 ZNAOSJMCFMXKNH-KGLIPLIRSA-N 352.435 -0.090 30 20 FBED COCC#CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1261736348 HTIVCIUSANHWLM-UHFFFAOYSA-N 366.395 -0.403 30 20 FBED N#C[C@H](C(=O)Cc1cnn2ccccc12)C(=O)N1CCS(=O)(=O)CC1 1263295920 OGCRFFOQJFEQCC-CYBMUJFWSA-N 360.395 -0.157 30 20 FBED CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H](C)C#N)C1 1292359557 QGWLLCIEVBECQR-XEZPLFJOSA-N 370.475 -0.170 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCc1cccnn1 1323526545 YMZVKZKQFMWUJG-GFCCVEGCSA-N 366.385 -0.508 30 20 FBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 1326411855 CSJLSWCWOFBXKF-LLVKDONJSA-N 352.416 -0.011 30 20 FBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2CC[C@@H](O)C2)n1 1331782850 VHXHFXBFYAYIQB-GFCCVEGCSA-N 369.385 -0.740 30 20 FBED C=C[C@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1332628432 RCATVHQUMPNROI-NSHDSACASA-N 352.395 -0.878 30 20 FBED C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1334104258 ALZZARAGSMURHR-INIZCTEOSA-N 363.462 -0.137 30 20 FBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)nn(CCO)c2C)CC1 1335089092 KXFOYCSKTQSCHA-UHFFFAOYSA-N 355.464 -0.923 30 20 FBED N#CCC1(CS(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 1463441541 ZOXWNOLGUGULML-LLVKDONJSA-N 350.466 -0.485 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCc3ncccn3)C2)c1 1489389105 QTSLSFGOFJBSQL-ZIAGYGMSSA-N 354.370 -0.389 30 20 FBED CCn1[nH]nnc1=NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1562801716 CCMAPLBZOXGAGT-ZJUUUORDSA-N 350.383 -0.005 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285787 NQMHFQHXDVIGKQ-RISCZKNCSA-N 370.417 -0.473 30 20 FBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)C1 1573563436 ABIYTJKLPGDADS-SNVBAGLBSA-N 370.373 -0.592 30 20 FBED C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[nH]n3)cn1)CCO2 1573564122 GCQYDBDSZMJGCI-ZBEGNZNMSA-N 369.389 -0.376 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c[nH]1 1581864158 ISNGIJSGOKFXFQ-RYUDHWBXSA-N 362.357 -0.040 30 20 FBED O=C(NCC#CCO)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 1582337307 GWNHHDBVFQFUSN-AWEZNQCLSA-N 369.385 -0.343 30 20 FBED C#CCN1CCC[C@H]1C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CC1 1588351021 COXZCXGZFOUXJD-ZDUSSCGKSA-N 367.417 -0.185 30 20 FBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588353637 ZNOUOXNSVUTBST-LLVKDONJSA-N 356.390 -0.910 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCN(CCC(=O)O)C[C@@H]1C)[C@H]1CCCO1 1588370557 HCVVVRGTTVJKHP-MELADBBJSA-N 351.403 -0.709 30 20 FBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]21 1588507216 DSSNGMKPGKWZKV-ZEDKHECFSA-N 371.401 -0.292 30 20 FBED CN(CCOCCNc1cc(C#N)ncn1)c1cc(-c2nn[nH]n2)ncn1 1591112607 LARAFGQTHAPDGZ-UHFFFAOYSA-N 367.377 -0.117 30 20 FBED N#Cc1ncn(CC(=O)NCCCN2CCCCCC2=O)c1-c1nn[nH]n1 1592710091 VNUMPHDLWZVBDB-UHFFFAOYSA-N 371.405 -0.156 30 20 FBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(CC(=O)O)C3=O)CC2)nc1 1594621414 LHZBFEWFZZUWEG-CQSZACIVSA-N 371.397 -0.075 30 20 FBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 1602983494 KGDTUERIQUAYON-LLVKDONJSA-N 356.390 -0.131 30 20 FBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 1606076189 HCTHDBFXNJHNLU-UHFFFAOYSA-N 361.401 -0.464 30 20 FBED Cn1cc(C#N)c(=O)n(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1=O 1606227259 HRPBVIPELRVPQI-UHFFFAOYSA-N 366.341 -0.372 30 20 FBED C#C[C@H](C)N(C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1609018770 FZIIEWRBXLLVJS-NSHDSACASA-N 358.406 -0.235 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1=O 1609057432 RYZFEVDGFXHAIY-UHFFFAOYSA-N 369.341 -0.540 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](O)[C@H](CO)C1 1630121554 XYQCVWGUGMPFPH-WHOFXGATSA-N 367.427 -0.573 30 20 FBED COC(=O)C1(C#N)CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 1643109775 ASFSUUGGTZVYSB-OLZOCXBDSA-N 350.419 -0.122 30 20 FBED CN(CC(=O)NCc1ccc(C#N)cc1)Cc1nnc2n1CCN(C)C2=O 1648293007 LRCZTURISSRMBX-UHFFFAOYSA-N 367.413 -0.016 30 20 FBED C=C(C)CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 1755902154 BLSZIFDRPPNPHW-UPJWGTAASA-N 364.402 -0.540 30 20 FBED C#CCOCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]21 1756958044 FTSIUWIDNKGPLP-QLFBSQMISA-N 365.430 -0.763 30 20 FBED Cc1sc(=O)n(CC(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1C 1757172083 UGSDDCKTMCUPRT-KGLIPLIRSA-N 363.439 -0.372 30 20 FBED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)C1 1777999478 SQEWFMCMEZQYSW-HDMKZQKVSA-N 350.463 -0.248 30 20 FBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779493257 MQYRGOYQSHTURS-QGZVFWFLSA-N 361.329 -0.248 30 20 FBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782196534 NWXQKTGQDHOFTK-HBUWYVDXSA-N 366.462 -0.331 30 20 FBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783930650 DPHLQWGXIHZBJJ-KNXALSJPSA-N 374.459 -0.250 30 20 FBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785410533 MEHXGPHXQKQJQZ-YZHPQUFMSA-N 364.398 -0.115 30 20 FBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787400761 YRWALNWWIMWVSD-XAJHFOFHSA-N 361.442 -0.468 30 20 FBED CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076207 ZROVMHRPRHDQIM-GGOFEBJYSA-N 365.430 -0.573 30 20 FBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797146782 VTAOSNYYSRYENQ-FGZZBPHYSA-N 352.431 -0.062 30 20 FBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)c1 1799338083 XRZYPBFNYXGEQS-ALXJQNPVSA-N 373.409 -0.230 30 20 FBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1825019553 PSZFNZBSRQBCAA-PWSUYJOCSA-N 364.427 -0.161 30 20 FBED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841137424 MGIMXBOWCIZUCR-CYBMUJFWSA-N 350.419 -0.109 30 20 FBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1842920559 ZXFPFDZVZVJMJY-UHFFFAOYSA-N 360.418 -0.652 30 20 FBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843351152 OOCPVEIXEWAPBT-NSHDSACASA-N 360.370 -0.257 30 20 FBED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293909 JWCHHECTEGGKLB-UKRRQHHQSA-N 371.503 -0.205 30 20 FBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845265541 JJCPYINDHGOCIF-RGVLZGJSSA-N 359.434 -0.047 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)n1cnnn1 1847261823 NDMJFPWATYLRIZ-ZXIRTSTFSA-N 373.417 -0.706 30 20 FBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 48007962 BQYLOLQZAMKSDQ-UGSOOPFHSA-N 363.462 -0.148 30 20 FBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 180506728 VFDLIWJIXPFJOS-AWEZNQCLSA-N 371.401 -0.014 30 20 FBED CN(C)C(=O)CN/C(=N\C1CCCCC1)NC[C@H]1CN2CCN1CC2 262337106 WKMMNNUQKDUYCW-INIZCTEOSA-N 350.511 -0.058 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)NS(C)(=O)=O 268313658 ACROWQGLQRVELP-WDEREUQCSA-N 352.420 -0.677 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](O)C[C@H]1CO 274834073 TYZDKTSTPNQXQI-WXHSDQCUSA-N 353.400 -0.821 30 20 FBED CCOC(=O)CO/N=C(/C(=O)N(CC(=O)OC)C1CC1)c1cc[nH]n1 278000461 OGOSYWGAVZMNPD-NBVRZTHBSA-N 352.347 -0.143 30 20 FBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CCO1 291487539 MGXIYGLJIPLLBZ-OAHLLOKOSA-N 371.397 -0.692 30 20 FBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 293261410 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-0.528 30 20 FBED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 588706737 PFSJKBGHMLTTOT-UHFFFAOYSA-N 372.341 -0.300 30 20 FBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 590986082 QMPAISYEFJBFAC-CYBMUJFWSA-N 370.413 -0.661 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)C(=O)O 594546798 WWAJUILFLLAJOK-MNOVXSKESA-N 360.374 -0.778 30 20 FBED C=C[C@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)NCCC)Oc2ccccc21 658916303 IQFSQQWUNBCDOJ-DOMZBBRYSA-N 361.398 -0.030 30 20 FBED C=C[C@@](C)(O)C(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 668370985 HDMYVOZRUCACMF-ZUZCIYMTSA-N 355.416 -0.025 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@H]2CC(=O)O)C1=O 736106421 CSRKZAJWABTBRZ-SECBINFHSA-N 355.372 -0.618 30 20 FBED C#CCCCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 759176108 KWFBGQSRDKPCDD-CQSZACIVSA-N 356.444 -0.336 30 20 FBED CCN(CC(=O)NC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765525519 JTAAGGTUIHZACY-LLVKDONJSA-N 352.416 -0.180 30 20 FBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 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C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C)c1 940006969 FBAZQRGGXJSNRE-KBRIMQKVSA-N 356.426 -0.030 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 958663385 QXZZESZAHDUYOY-RHYQMDGZSA-N 352.416 -0.227 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 958858491 ZVWQZVQEJHTNOX-XUXIUFHCSA-N 367.446 -0.491 30 20 FBED Cn1cnc(C(=O)N2CCO[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 960332207 AJUMBTIUQJBBCW-QWHCGFSZSA-N 355.358 -0.620 30 20 FBED O=C(c1cc2n(n1)CCO2)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960359212 WIIUWVNPHKSYAQ-LSDHHAIUSA-N 356.382 -0.259 30 20 FBED Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)cc1=O 960361263 GTHPMOMUFIEDDL-JKSUJKDBSA-N 355.394 -0.150 30 20 FBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 960875775 UXEAXXKMGZQPHR-RWMBFGLXSA-N 362.386 -0.877 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CCc3cnccn3)C[C@@H]2O)[nH]1 962340950 HAAJIBAPLQAZCX-CABCVRRESA-N 354.370 -0.389 30 20 FBED 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30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1002047773 FUVGTMNWGYTOND-MJBXVCDLSA-N 371.459 -0.766 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 1013167966 UAOJSCGSWCJJBG-VLXAULBPSA-N 360.418 -0.383 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]12 1013815974 DGXQBDWXMAXHAL-VOAKCMCISA-N 361.398 -0.701 30 20 FBED Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n(C)c1=O 1021952928 RCJYIHHTDSMYLA-SMDDNHRTSA-N 368.397 -0.090 30 20 FBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 1022979589 JZWPMIWELPCZKC-HZPDHXFCSA-N 356.378 -0.214 30 20 FBED CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023440118 KUDGEOLCBLMSOU-VXGBXAGGSA-N 360.399 -0.084 30 20 FBED CN1C(=O)CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023467664 VHKSQLSLUZNVNV-HZSPNIEDSA-N 359.386 -0.801 30 20 FBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2O)no1 1023759559 XOCYCBJYFUTQKA-ZIAGYGMSSA-N 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C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1061668575 SKOZKGHRLWXGEO-ILXRZTDVSA-N 367.446 -0.176 30 20 FBED Cn1cc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 1069907768 NRLDOEOYUXJWIC-CABCVRRESA-N 366.389 -0.538 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2n2ccnn2)nn1 1070051866 UPHNKZOBIGDJPJ-NFAWXSAZSA-N 360.422 -0.254 30 20 FBED Cn1nccc1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070910687 ZWAXOCLKRCPHNV-KFWWJZLASA-N 358.402 -0.408 30 20 FBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cn(C)c(O)n4)C3)[C@@H]2C1 1070918256 YDULRENMMGLPQI-BNOWGMLFSA-N 359.386 -0.522 30 20 FBED C=CCCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C4(C(N)=O)CC4)C3)[C@@H]2C1 1070918305 ZTBMWKUXQYZLRA-MJBXVCDLSA-N 362.430 -0.066 30 20 FBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)c1 1075658685 OCHQLWVBRKZHCW-DZGCQCFKSA-N 370.413 -0.025 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccnc4[nH]cnc34)C2)C1=O 1077073692 DMRDHGZFLVCDIP-MGPQQGTHSA-N 370.413 -0.480 30 20 FBED CN1C[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)NC1=O 1083162067 HDMQDAOAOPAMAP-YESZJQIVSA-N 369.425 -0.007 30 20 FBED N#Cc1ccc(F)cc1CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1083541895 DAHVCXRYFBDRMP-OAGGEKHMSA-N 360.389 -0.115 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(CCc3cnn(CC)c3)C[C@@H]2O)nn1 1083843637 RVLVFHOIPCUOCR-ZBFHGGJFSA-N 359.434 -0.302 30 20 FBED C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CN4CCOCC4)[C@@H]3C2)C1=O 1084290917 QSUMQUWZDMSSPP-IXDOHACOSA-N 362.474 -0.362 30 20 FBED Cn1cc([C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2NCC#N)cn1 1086986484 RFEHGNSHMAOFEG-UONOGXRCSA-N 358.402 -0.633 30 20 FBED CN(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](Nc2cnc(C#N)cn2)C1 1089092195 GHEQVKHXBXAOST-KGLIPLIRSA-N 355.406 -0.245 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nc([C@@H](C)OC)ns2)C[C@H]1O 1090407400 YMJJULJVZWVVDA-GMTAPVOTSA-N 367.431 -0.949 30 20 FBED CC(=O)N[C@@](C)(C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)C1CC1 1090462145 QBVJGBFBZHYQLV-CKEIUWERSA-N 358.402 -0.681 30 20 FBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090761892 GKPUETRMKCYPCS-DGCLKSJQSA-N 366.447 -0.429 30 20 FBED C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C 1090830171 PLBNZGDADSYSNM-NTZNESFSSA-N 351.432 -0.168 30 20 FBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)CC(N)=O)n1 1091055446 OYRCKFWQVUNLEP-LEWSCRJBSA-N 358.402 -0.416 30 20 FBED CNC(=O)CC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](c2cncn2C)C1 1092313425 IKFFGGHMOXRUNQ-DGCLKSJQSA-N 368.401 -0.376 30 20 FBED N#CCN1CCN(C(=O)[C@H]2CCCc3c[nH]nc32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094635207 TYQQSOREXBRKRE-MELADBBJSA-N 363.443 -0.337 30 20 FBED C=CCN1CCN(C(=O)[C@@H](C)CN2CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094680470 SVGAVGVNGRVEED-HRCADAONSA-N 371.503 -0.550 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCS(C)(=O)=O)nn1 1097997927 YZZXXQYSINTLAF-BZPMIXESSA-N 353.448 -0.156 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3O)C[C@]2(C)C1 1101196787 WPOIOEDNHATSMK-VFVRVIDISA-N 359.430 -0.044 30 20 FBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@H]1C 1101964312 LHSGKAIMDNPLRE-QLFBSQMISA-N 366.462 -0.055 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc(C(N)=O)c1 1102092050 FUKLOFJIIHTURB-IUODEOHRSA-N 357.414 -0.277 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cncn2C)C1 1102123693 NQQFBYIUMMURGT-CHWSQXEVSA-N 362.434 -0.270 30 20 FBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C 1104454167 UFCJLVBPCXDHFP-BZUAXINKSA-N 362.474 -0.274 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCCS1(=O)=O 1109398029 RKJBZQPNIDKWHW-QPSCCSFWSA-N 369.487 -0.023 30 20 FBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1COC(=O)C1)C2 1112303216 GNGRDMILWFGOFV-DEYYWGMASA-N 362.430 -0.202 30 20 FBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 1117034518 WGIFGJLPYHBFMA-HNNXBMFYSA-N 359.382 -0.053 30 20 FBED C=CCCOCCNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1117479941 BTRBHJPNRFPFOJ-UHFFFAOYSA-N 361.464 -0.517 30 20 FBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1118559422 LHKVNXINRFLVAJ-UHFFFAOYSA-N 366.443 -0.086 30 20 FBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CCN1C1CC1 1118924766 VGFZKILZANAMMX-HNNXBMFYSA-N 369.429 -0.676 30 20 FBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)c(C#N)c[nH]1 1124857200 FERMHPTXROSRSL-FRFSOERESA-N 361.446 -0.366 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1127575989 GKMGCGYKOZUHLP-IJLUTSLNSA-N 353.423 -0.993 30 20 FBED COCC#CCN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 1129816713 IVQJBONGAOSWCK-CVEARBPZSA-N 357.418 -0.754 30 20 FBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCS(C)(=O)=O)C1 1129825046 LHGSBCMRVYIAAI-KGLIPLIRSA-N 353.448 -0.676 30 20 FBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C2CC2)N(C)C)n1 1130220760 KXDPKASCJTWNOB-OFQRWUPVSA-N 360.462 -0.144 30 20 FBED CN1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)C1=O 1130796151 KFCOZXCKWREGEP-SDDRHHMPSA-N 361.406 -0.768 30 20 FBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1c1cncn1C 1131079715 QQBDAUNRWJRKDP-YNEHKIRRSA-N 355.464 -0.572 30 20 FBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1c1cncn1C 1131132185 BGGUSASYLXLXEZ-KFWWJZLASA-N 358.446 -0.130 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN([C@H](C)C(=O)NC(=O)NC)C2)C1 1148310339 CSDHRMYLBLBLKD-MCIONIFRSA-N 364.446 -0.044 30 20 FBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 1187762310 BOZUQPIUHACHSE-LZLYRXPVSA-N 353.463 -0.001 30 20 FBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnn4c3CCCC4)[C@@H]2C1 1188255224 CFIITOQCPQDULP-WMLDXEAASA-N 370.457 -0.066 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@@H]2C1 1189660779 WPHWPJUTLRDVCP-ARFHVFGLSA-N 360.458 -0.473 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)Nc2ccnn2CCC)C[C@H]1O 1191777349 IUQVKJSLNRWFER-ZIAGYGMSSA-N 365.434 -0.405 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1O 1193076604 UVCWYICUBHOSKD-FPCVCCKLSA-N 369.462 -0.718 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1193165391 DCUZATMPVWWEOK-RBSFLKMASA-N 366.462 -0.737 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 1193866374 CTELDDRGXZXTGH-LZLYRXPVSA-N 370.453 -0.479 30 20 FBED CS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O 1194168668 UPGXRFFGBGDQPN-HUUCEWRRSA-N 351.428 -0.346 30 20 FBED Cc1ccc2nc(C(=O)N[C@@H]3CN(CC(=O)NCC#N)C[C@H]3O)ccc2c1 1194534263 JPDVJOFELSROPH-IAGOWNOFSA-N 367.409 -0.042 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)C)CC2)C1 1197403454 HCYUFYUKEVMSRW-HZPDHXFCSA-N 350.463 -0.983 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 1198103692 OHRQJRIQTMGLDP-LERXQTSPSA-N 351.353 -0.122 30 20 FBED CCc1ccc(CCC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cc1 1198580512 ZNGOWIXRGXJNLK-IAGOWNOFSA-N 358.442 -0.017 30 20 FBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)CCCCC1 1199277907 GSWIYXRLAMVCEH-BFHYXJOUSA-N 364.446 -0.295 30 20 FBED Cc1nc2c(C(=O)N[C@@H]3CN(CC(=O)NCC#N)C[C@H]3C)ccnc2[nH]1 1208048822 KQZMDVDLJSGALR-ZWNOBZJWSA-N 355.402 -0.044 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1209298989 IPIJEIQTXHFHSX-COMQUAJESA-N 352.435 -0.011 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](OC)C1 1212239805 OHHHASFCUHTFSV-HUUCEWRRSA-N 366.462 -0.131 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnc3cc(C)ccn23)[C@H](OC)C1 1212316888 YXQVLUHVKURNCP-GDBMZVCRSA-N 369.425 -0.179 30 20 FBED C=CCOCCN1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](OC)C1 1213856986 CQCMGCHJYHCHOO-ZIAGYGMSSA-N 360.418 -0.315 30 20 FBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1c[nH]c2ncccc12 1213943645 BTONOXHDGXEDCA-HUUCEWRRSA-N 370.413 -0.439 30 20 FBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C 1214530812 FTDCDMSNSHAKKN-CHWSQXEVSA-N 362.434 -0.209 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C 1215868800 PUCSXTKOCRFLEB-IOASZLSFSA-N 357.476 -0.308 30 20 FBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)c(OC)c[nH]1 1218298625 BIDFMWJDYBAUJB-WMLDXEAASA-N 361.398 -0.442 30 20 FBED N#CCSCC(=O)N[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@@H]1O 1219219733 KPTZDERASCFOAF-CFVMTHIKSA-N 369.443 -0.425 30 20 FBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(=O)NCC(C)C)C[C@@H]1O 1219366320 YKJAGIWVDSSIRV-MJBXVCDLSA-N 370.450 -0.779 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1220478530 BKGXJEAIDVPMEG-IMJJTQAJSA-N 352.479 -0.430 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)C)CC2)C1 1220667823 QYZHVDQTCUOOLJ-UAGQMJEPSA-N 366.506 -0.041 30 20 FBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc3ccncc3c2)C1 1220683278 OOKFTLHWDVMSHQ-CVEARBPZSA-N 353.382 -0.351 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CC(=O)N[C@@H](C)C(C)C)C[C@H]21 1221491608 QWNZOMLYXRCWPD-ARFHVFGLSA-N 362.474 -0.181 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCN(C)C)[C@@H]2C1 1221789125 GZNZMCRTAFEHAW-RBSFLKMASA-N 365.478 -0.129 30 20 FBED C=CCOCCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1221944460 PPFVLIBTCPWISZ-TZMCWYRMSA-N 358.402 -0.234 30 20 FBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1223707318 SSSXVGOHRXPZMM-OLZOCXBDSA-N 368.401 -0.700 30 20 FBED CN(CCNS(C)(=O)=O)C(=O)C(=O)Nc1cccc(OCC#N)c1 1318536088 OQHKYGVDEGGTFS-UHFFFAOYSA-N 354.388 -0.465 30 20 FBED NC(=O)CC1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1321101692 XGHBZSOTLOEUII-UHFFFAOYSA-N 350.400 -0.551 30 20 FBED CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1321690449 XNLYSGBPGXLGHU-UHFFFAOYSA-N 358.402 -0.804 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1)[C@H]1CCCO1 1323527990 KLJIDWVGFIVFJW-BFHYXJOUSA-N 352.387 -0.944 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(C(=O)OC)co2)C1=O 1328820577 JNXPKUVGKMBVLS-UHFFFAOYSA-N 350.287 -0.946 30 20 FBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 1342463561 YKZYUMHMDDOLJB-XHDPSFHLSA-N 372.447 -0.251 30 20 FBED C=CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCOC 1345229497 FVWYUXCAFKWTAW-UHFFFAOYSA-N 359.452 -0.291 30 20 FBED COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1346983298 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366.381 -0.417 30 20 FBED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1585295751 LHEHIWPIYIRNNS-LLVKDONJSA-N 363.374 -0.054 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)O)nc2)CC1 1588430483 CINKCQPZVPPJIM-UHFFFAOYSA-N 352.372 -0.995 30 20 FBED C=CCN1CC[C@@H](N(C)CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O 1588654209 BHDWYLMFLGOXFU-CQSZACIVSA-N 372.433 -0.015 30 20 FBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1589957940 JPTRQQKJIJGILW-GHMZBOCLSA-N 371.405 -0.725 30 20 FBED N#CCN1CCC(NC(=O)C(=O)Nc2sccc2-c2nn[nH]n2)CC1 1606349963 LTLVWZGNBBKZFK-UHFFFAOYSA-N 360.403 -0.029 30 20 FBED Cc1onc(CC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 1630050123 REVLQPKAUFVUNT-JTQLQIEISA-N 354.388 -0.841 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1 1757181719 ZSHUZJXCLOBVFW-TUAOUCFPSA-N 364.427 -0.332 30 20 FBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnn2)C1 1779657582 KPIREMJZCOXARN-RDTXWAMCSA-N 372.381 -0.308 30 20 FBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783156918 IELLGSQOJXOAQE-GUYCJALGSA-N 367.471 -0.128 30 20 FBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1783567627 UMWHQPUZNRVKIG-WZHGYECESA-N 358.354 -0.659 30 20 FBED CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784187612 IYAHTCQCHANHFD-WFGGJUAMSA-N 352.387 -0.929 30 20 FBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795328567 NNIJCEOBSBWAJR-YWVIFJGQSA-N 350.371 -0.909 30 20 FBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1795420747 DNEVKRBXRMRLOT-GNXNZQSNSA-N 364.431 -0.210 30 20 FBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cc(C)cnc12 1797419550 MHDMWFAWOXVPOE-YWVIFJGQSA-N 353.382 -0.126 30 20 FBED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)no1 1798219577 YUERJDGPZJDUSD-CULMDFNYSA-N 361.354 -0.472 30 20 FBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799136777 ALHNKKYGKAPZRN-JLZCTACVSA-N 371.503 -0.747 30 20 FBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825019878 XAWVGLXDVQEHLF-BONVTDFDSA-N 364.427 -0.661 30 20 FBED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755981 PEGRYDOLHSKJLT-JLJPHGGASA-N 353.419 -0.237 30 20 FBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836213918 JBIBGLBRAJYDIP-IUODEOHRSA-N 369.447 -0.947 30 20 FBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1838322374 PYJMAHOTOVDOPC-QGZVFWFLSA-N 362.386 -0.057 30 20 FBED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034721 XLNDWBHVBRSAGK-HNNXBMFYSA-N 353.463 -0.311 30 20 FBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC)C(=O)O 1847803252 UPDYHMOKIQHIEQ-CRWXNKLISA-N 351.403 -0.711 30 20 FBED Cn1c(N2CCN(C(=O)c3ccccn3)CC2)c(C#N)c(=O)n(C)c1=O 26708804 GMUGVKQRLPJXKL-UHFFFAOYSA-N 354.370 -0.687 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nnc2c(cnn2C)c1=O 151469293 IMLGDCBYNKZZOQ-NSHDSACASA-N 366.389 -0.645 30 20 FBED CNC(=O)C1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 274347346 GQDRBZZTEMVFIR-UHFFFAOYSA-N 350.400 -0.303 30 20 FBED Cc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C 277230128 SSWLLCODMBDDJU-UHFFFAOYSA-N 360.461 -0.023 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C(=O)NCC[C@H]1C 282158397 KXGHDCXRZNLPQF-SUNKGSAMSA-N 364.427 -0.134 30 20 FBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 287711675 BSZUFXHWVXWXCQ-CYBMUJFWSA-N 360.422 -0.902 30 20 FBED C#CCNC(=O)CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 293021598 IIUVCOPNCVGWJY-UHFFFAOYSA-N 358.446 -0.425 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H](O)C1 296116521 IWBVYALIVOTUSN-DGCLKSJQSA-N 353.400 -0.555 30 20 FBED C[C@H](C/N=C(/O)N1CCC[C@@H](CNS(C)(=O)=O)C1)N1CCOCC1 330469606 VHTPVQPIXUZMBJ-KGLIPLIRSA-N 362.496 -0.118 30 20 FBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349600116 CFBOBAWSSLNGEE-RYUDHWBXSA-N 367.493 -0.369 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)CCOC[C@@H]2CCCO2)CC1 363671122 IXJHPWCUINSKOV-INIZCTEOSA-N 351.447 -0.144 30 20 FBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 370073778 QWYJLSZXBYSANE-LLVKDONJSA-N 350.379 -0.287 30 20 FBED CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1=O 377924563 SQAWRVGIOIGBPG-UHFFFAOYSA-N 353.342 -0.622 30 20 FBED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 409528714 JAVWXJANPUTYPP-UHFFFAOYSA-N 357.480 -0.293 30 20 FBED C[C@H]1CN(S(=O)(=O)N2CCN(c3nccc(C#N)n3)CC2)C[C@@H](C)O1 450243767 STHBWPBPVLSNSU-BETUJISGSA-N 366.447 -0.176 30 20 FBED COCCN(CC(=O)N(C)C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 512475722 VLMLLMJXPNVBMQ-INIZCTEOSA-N 367.494 -0.285 30 20 FBED COCc1nn(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(=O)o1 537424883 IOAXYXQFJQZKGD-UHFFFAOYSA-N 362.346 -0.500 30 20 FBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 559448599 ZNQQUUWASSUKEV-UHFFFAOYSA-N 374.447 -0.762 30 20 FBED C=CCOC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(=O)OC 562436129 CWKQFHARWBSEGH-GFCCVEGCSA-N 360.363 -0.053 30 20 FBED N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)nc3)CC2)c1 580907038 BLHOMLKFCHXPDD-UHFFFAOYSA-N 372.410 -0.042 30 20 FBED N#CCNC(=O)CNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 588178841 ILCGQAJQIMSTCJ-UHFFFAOYSA-N 365.415 -0.335 30 20 FBED CN(CCN1CCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 592982793 IBIQGDBMBIMBHF-UHFFFAOYSA-N 353.404 -0.008 30 20 FBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CC(=O)OC)c1 600470397 JDLQAAUWXGWXIF-GFCCVEGCSA-N 356.400 -0.195 30 20 FBED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CC1 602244726 ILBZKBDSVRWJRS-ZDUSSCGKSA-N 357.405 -0.064 30 20 FBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 603868939 NQQPUHIYCJTIGU-UHFFFAOYSA-N 351.451 -0.775 30 20 FBED C=CCNC(=O)CNC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 679127920 UQVYOOVHSONAPI-NSHDSACASA-N 355.420 -0.025 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3sccn3c2=O)CC1 733150623 QKOSAHOCDYFYOD-UHFFFAOYSA-N 373.438 -0.347 30 20 FBED C#CCN1CCC[C@H]1COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 756549084 DXQIZPLKRUGMFV-LBPRGKRZSA-N 356.382 -0.113 30 20 FBED C#CCN1CCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)CC1 777859361 CABDDQOJVJGVKF-UHFFFAOYSA-N 367.427 -0.258 30 20 FBED CCOC(=O)CON=C(C(=O)Nc1ccc(C(N)=O)nc1)c1cc[nH]n1 789994806 DHPUYECFXUQPNK-UHFFFAOYSA-N 360.330 -0.174 30 20 FBED N#CCCNC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 795186448 UQSHRRJENGLUDE-UHFFFAOYSA-N 360.443 -0.097 30 20 FBED C#CCC[C@@H](O)CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 798398980 DZICWWXGNICBPW-OAHLLOKOSA-N 374.445 -0.411 30 20 FBED C=CCNC(=O)CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 823920165 YXFPFFFSZLVCIB-UHFFFAOYSA-N 367.373 -0.333 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 831560895 KJTIFBTVYFMNJU-UHFFFAOYSA-N 365.411 -0.317 30 20 FBED CCONC(=O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 846494889 LHYAWJVYNBILKU-SNVBAGLBSA-N 368.415 -0.312 30 20 FBED CCN1C[C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1=O 846747299 NPEMIFFZTCHCSR-ZDUSSCGKSA-N 358.402 -0.534 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CCC)OCC)CC1 895952869 RKWRVMIEBNOVEQ-CQSZACIVSA-N 360.480 -0.014 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1OC 942516836 XIKQRERPMAOQDW-OWCLPIDISA-N 363.458 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368.397 -0.353 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#C)cn2)C[C@@H]1O 968348163 RNIZDJBBZYKTGJ-SQNIBIBYSA-N 366.421 -0.538 30 20 FBED NC(=O)COc1ccccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968818217 BCVVALYDDDZZBD-CABCVRRESA-N 371.393 -0.734 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 982136121 SGGJWALNJTZRTB-MMMKDXCPSA-N 373.413 -0.066 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 990894998 QNKHGAMJXAVUEU-PMPSAXMXSA-N 356.430 -0.346 30 20 FBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)nn1 990947807 LCJVDEJROBMDGQ-WZRBSPASSA-N 357.378 -0.769 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cc(C)on3)C2)nc1 1023220701 JNEKRCQNQZMAFX-HZPDHXFCSA-N 354.366 -0.096 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C)ncn3)C2)nc1 1023426589 SDDGOTPIPKUTSX-HZPDHXFCSA-N 351.366 -0.223 30 20 FBED CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1023816994 JMFAVXJYHMUKRR-HUUCEWRRSA-N 354.370 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Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044310410 STNPTHXCXNFMLY-NEPJUHHUSA-N 355.354 -0.102 30 20 FBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cnn4ccncc34)C2)n1 1044719401 OVTIOQCCHRELLO-HIFRSBDPSA-N 364.369 -0.321 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045144059 MYFPLTZQQUEFME-IGCXYCKISA-N 356.394 -0.214 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c(C)nn(C)c2F)C1 1046820846 WPDQBHWNJOETFC-NEPJUHHUSA-N 366.393 -0.238 30 20 FBED Cn1c(O)ncc(C(=O)NC[C@H]2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1=O 1047475245 FSAMYSOTVRIRJF-WDEREUQCSA-N 369.385 -0.420 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1O 1049583160 DJXPFYNKGJLIHA-RFGFWPKPSA-N 365.430 -0.866 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](Nc2nccn3nnnc23)[C@H](c2cncn2C)C1 1052727222 IWGMPIVYZWHJKO-IJLUTSLNSA-N 366.389 -0.181 30 20 FBED C=CCCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1057547302 VSHIQPOPHLJKJN-DGCLKSJQSA-N 366.378 -0.930 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)NC(C)=O 1058100285 HHNKPXIDRLUURI-KGLIPLIRSA-N 355.435 -0.571 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cccc(=O)n1C 1058779690 FVHLFOBPXSWHAT-HIFRSBDPSA-N 363.414 -0.473 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](CC)NC(C)=O 1058927833 ZCXCVXYCBQTEPO-KFWWJZLASA-N 355.435 -0.571 30 20 FBED Cc1cc(C#N)nc(N2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 1061727435 BJBGLVKFXCLDPL-FPMFFAJLSA-N 358.402 -0.368 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)Cn2cncn2)CCOCC1 1070260123 UCSNXUBWIJPXGT-KGLIPLIRSA-N 363.418 -0.349 30 20 FBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1071105429 QBYDANMOOQINNX-CJNGLKHVSA-N 362.434 -0.451 30 20 FBED Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2nnnn2C)cn1 1086978874 WEESFJRIGRUQCR-LSDHHAIUSA-N 354.418 -0.559 30 20 FBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCN3CCNC3=O)[C@@H]2C)CC1 1089059303 HTBKHTGFCKWGMY-WBVHZDCISA-N 361.490 -0.064 30 20 FBED 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-0.024 30 20 FBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 517962645 YQJOZBVWNPGAML-LLVKDONJSA-N 361.449 -0.498 30 20 FBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@H]4[C@H](N)CC[C@H]4C3)CC2)c1 519596803 XFZGNOPRNZSYCF-ARFHVFGLSA-N 368.441 -0.202 30 20 FBED N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 532555835 FURGXNXMDKOHFX-GXTWGEPZSA-N 351.432 -0.410 30 20 FBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC3)CC2)cc1 552053405 MZBOCGUMOKVOHC-UHFFFAOYSA-N 370.456 -0.185 30 20 FBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1COCCO1 560242315 QRILFNDETZCFCF-KRWDZBQOSA-N 374.441 -0.020 30 20 FBED CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](CN)C1 564993287 RROQWPOTTIGJFF-KBPBESRZSA-N 366.443 -0.199 30 20 FBED CCN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 571343736 JISNSDAECDEBFW-UHFFFAOYSA-N 374.444 -0.755 30 20 FBED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccccc2F)n1 583353687 CUUJRSIDPGLQJM-UHFFFAOYSA-N 352.351 -0.616 30 20 FBED COC1(CO)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589498462 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790118030 MSLGDYPDDQJHSK-INIZCTEOSA-N 359.430 -0.008 30 20 FBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC1=Nc2ccccc2S(=O)(=O)N1 826382811 WDQRCNKHKVRRHQ-UHFFFAOYSA-N 370.358 -0.461 30 20 FBED C#Cc1cnc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nc1 827373089 HFTVWBBBKUPQMW-KBPBESRZSA-N 365.459 -0.066 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 831568296 FCVBJXACWMUGQK-OAHLLOKOSA-N 356.448 -0.953 30 20 FBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1C(=O)OC 833376709 PROBXIAPCPTEMO-UHFFFAOYSA-N 356.356 -0.248 30 20 FBED C#CCN1CCN(C(=O)CN2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CC1 839641317 RNMFJBKKOGUSTM-ZWKOTPCHSA-N 354.454 -0.035 30 20 FBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 854155496 UNKKMCVUJHAINF-LBPRGKRZSA-N 366.395 -0.151 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cncc(C)c2)CC1 893887522 LYXYNZKKAGUZCH-UHFFFAOYSA-N 351.432 -0.315 30 20 FBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2C2OCCO2)c1=O 902622351 MOBUFBLDWRPVQK-CYBMUJFWSA-N 364.402 -0.662 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 938034100 QPKQRILEZBMHEU-MJBXVCDLSA-N 363.414 -0.166 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 944781653 NVTIELKDCZDBJS-OAGGEKHMSA-N 355.394 -0.254 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)CC1 959690857 UBHTZURIHKLWGE-GDBMZVCRSA-N 358.446 -0.414 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2CCOC2)nn1 960109540 YCJRZRXOBDYNFR-VHDGCEQUSA-N 361.402 -0.448 30 20 FBED Cc1nnc(CC(=O)N2CCO[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)o1 960329972 SUPMNEYMXQAOPW-UONOGXRCSA-N 370.369 -0.128 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nc1 964598581 PBTNNQHJEDOYRV-MPESAESLSA-N 370.409 -0.721 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1O 968346316 YCLDUIJGTBYOEC-SQNIBIBYSA-N 370.453 -0.282 30 20 FBED NC(=O)c1ccccc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969484013 VNSBPHRAODOTRD-CVEARBPZSA-N 355.394 -0.571 30 20 FBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 970132674 NZWMINYIXVRVAA-NEPJUHHUSA-N 358.402 -0.123 30 20 FBED C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)c4cnn[nH]4)C[C@H]32)CC1 972600693 CGZAIMJOHFALSX-GDBMZVCRSA-N 356.430 -0.177 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C)cn1 988636532 OMJDEYAKFQZDLU-CJNGLKHVSA-N 370.409 -0.359 30 20 FBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)nn1 994024868 DLKHNLIQGGIBSL-CHWSQXEVSA-N 358.406 -0.420 30 20 FBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 994288439 ATRBTSWLJRTBLJ-ZYHUDNBSSA-N 371.397 -0.237 30 20 FBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1=O 1020287144 UQMYYRJDOPYLIF-OXGONZEZSA-N 350.463 -0.271 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)CC1 1021883303 CPBWBRFOAIKWQN-JKSUJKDBSA-N 371.445 -0.922 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCOC4)C[C@H]2O)c1 1023334612 UCXBATBBJDIYMU-HZPDHXFCSA-N 369.381 -0.098 30 20 FBED CC1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 1023432842 HJPFXXXSQDFNPT-HZPDHXFCSA-N 359.430 -0.080 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@H]2O)nn1 1023769169 KVSWIRNRFULYPY-TZMCWYRMSA-N 357.374 -0.822 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCn4cncc4C3)C2)c1 1024336912 CVMAFXWPJKHFPX-APHBMKBZSA-N 368.397 -0.353 30 20 FBED C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1024366240 AIHBWNHSUXEESZ-VXGBXAGGSA-N 368.821 -0.140 30 20 FBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 1024779970 XZEOHZHHPXSGAG-GDBMZVCRSA-N 357.414 -0.048 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1024823762 VTBSEWSUMXOJBN-WFFHOREQSA-N 351.359 -0.424 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1024956236 UCMSWJMFHUPFGQ-HZPDHXFCSA-N 353.382 -0.659 30 20 FBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)C1 1025545426 FVTSWBZNARIROL-MGPQQGTHSA-N 370.471 -0.145 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1O 1025711430 SKWMNAHYDRFEOY-SYQHCUMBSA-N 365.386 -0.359 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)N2CCOCC2)C1 1033433976 YZVQWAVCLCTEHE-XHSDSOJGSA-N 351.447 -0.031 30 20 FBED CS[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1039581206 ZBPHFLXHKZVCLP-TUAOUCFPSA-N 358.431 -0.023 30 20 FBED Cn1nncc1C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2cnc(C#N)cn2)C1 1039605720 XARWZYJXUVRQRM-YPMHNXCESA-N 365.361 -0.754 30 20 FBED Cn1cnn(CCC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)c1=O 1040762208 RXPPMZPLSNPJND-QWHCGFSZSA-N 368.401 -0.629 30 20 FBED N#Cc1sc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)nc1Cl 1040928713 TZHTYVQABLDLOK-HLTSFMKQSA-N 358.807 -0.251 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)n3)C2)n1 1041047500 XKEVTFGVGFRESU-ZIAGYGMSSA-N 353.386 -0.011 30 20 FBED Cc1nc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)c(=O)[nH]c1C 1041221725 DLTYWCPXYFJYOZ-CHWSQXEVSA-N 354.370 -0.367 30 20 FBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)c3cncnc3)C2)n1 1041300874 UMIXOPUTTBFSKW-NILFDRSVSA-N 353.386 -0.084 30 20 FBED CCc1cc(CC(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)n(C)n1 1041461809 IPCRNBDSGQLFNS-ZIAGYGMSSA-N 355.402 -0.447 30 20 FBED N#Cc1nccnc1N1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1041699625 GOQJJTFCYHINRO-GXTWGEPZSA-N 370.413 -0.333 30 20 FBED C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1Nc1cnc(C#N)cn1 1043311321 SIYOWFLESUZJRL-ZYHUDNBSSA-N 371.401 -0.063 30 20 FBED CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C)n1 1043587217 ONLKHDYRAZHQJF-ADEWGFFLSA-N 371.401 -0.232 30 20 FBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1043682011 ZTZSUPQSUHNVEZ-HUUCEWRRSA-N 351.447 -0.411 30 20 FBED CN1CCO[C@H](C(=O)N2CCO[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)C1 1043692186 SLXKTDBUCZKRBY-ZNMIVQPWSA-N 358.402 -0.905 30 20 FBED Cn1c(C(=O)N2CCO[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)cccc1=O 1043792263 GUTJLVMICVWUCV-LSDHHAIUSA-N 366.381 -0.223 30 20 FBED 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KYTJCQJQPIYQBF-HZSPNIEDSA-N 359.430 -0.404 30 20 FBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C 1106205229 IAUZPRCUDRTLKM-UKRRQHHQSA-N 350.463 -0.159 30 20 FBED C=CCCCN1CCN(C(=O)[C@@H]2CCCNC2=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476108 BQGWDYRPDIOMMF-QLFBSQMISA-N 369.487 -0.211 30 20 FBED CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1109250751 UDMNSEAZQLLUNO-KBMXLJTQSA-N 358.442 -0.035 30 20 FBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cc(C2CC2)nn1 1110658000 ILOMQQJSONKCJQ-NFAWXSAZSA-N 357.418 -0.483 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCS(=O)(=O)C1 1111083114 RNUJWWCUENHEFB-TUVASFSCSA-N 367.471 -0.718 30 20 FBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1111853118 IIERRLJKGSREBM-LXIYXOSZSA-N 371.445 -0.165 30 20 FBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 1111931593 NMLURWKHCFLGAO-ZQIUZPCESA-N 359.434 -0.828 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)CC)C1 1112006436 ZZOMHJLTAVFAMK-BBRMVZONSA-N 355.460 -0.859 30 20 FBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC(F)F)C2 1112444151 HGEXIDYACMFDEB-ZBEGNZNMSA-N 371.388 -0.774 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1112521114 OHIOKNXWNWHSNG-PRXAMGSTSA-N 365.434 -0.910 30 20 FBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O 1116731698 LDTKPEKGBIBVQF-GFCCVEGCSA-N 367.369 -0.267 30 20 FBED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)CCCC#N)c2C1 1117115626 NZMCCRWLZAKOEF-LBPRGKRZSA-N 367.431 -0.055 30 20 FBED COC[C@H](C)CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1117123208 KWGZEWDGSGRNGP-OLZOCXBDSA-N 360.418 -0.216 30 20 FBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@]2(CCO[C@@H]2C)O1 1118249526 HQRZTFHNGVVLSF-BQGCOEIASA-N 351.403 -0.342 30 20 FBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1129481170 HZVCFGCTXNBODP-VYDXJSESSA-N 358.446 -0.100 30 20 FBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]cnc2C)C1 1129490856 RWLIQNSKHRSIFP-OLZOCXBDSA-N 358.406 -0.733 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 1129677807 OCDDHGCEQLPRAZ-KGLIPLIRSA-N 358.406 -0.733 30 20 FBED C#CCCN[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1n1ccnn1 1129878886 JWAFXHDMHMMZFZ-CVEARBPZSA-N 354.414 -0.105 30 20 FBED C#CCCN[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@H]1n1ccnn1 1129923676 PYOSYBKZJOHRGV-HIFRSBDPSA-N 350.386 -0.001 30 20 FBED C=C[C@@](C)(CCOC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129945089 BQCBGKHABZSEIC-WWGRRREGSA-N 350.423 -0.666 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1n1ccnn1 1130067259 WYJKULADFRWSCX-HIFRSBDPSA-N 360.422 -0.253 30 20 FBED C#CCN[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC=C)C[C@@H]1n1ccnn1 1130136965 BQEGJXGIOBJZII-KGLIPLIRSA-N 359.434 -0.483 30 20 FBED C=CCOCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(=O)NC)CC1 1130278859 HQHCJMKVTNVENI-KDOFPFPSSA-N 366.462 -0.590 30 20 FBED COCC#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1131294862 TWKWYRKSGCCALI-KFWWJZLASA-N 351.403 -0.612 30 20 FBED C[C@H](C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)n1cnc(C#N)n1 1142748970 LTBHIVOEFOCBAN-GFCCVEGCSA-N 361.406 -0.256 30 20 FBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1175271373 AKWNKVYLKFEHEH-MELADBBJSA-N 351.451 -0.385 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 1190400603 ASMKCBJRVBDRMV-HEHGZKQESA-N 369.425 -0.535 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 1193212360 QTLBYYPBCARMBI-LBTNJELSSA-N 364.446 -0.094 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2csc(C(C)(C)C)n2)C1 1196911106 GENWRPSZSWOCKR-DGCLKSJQSA-N 364.471 -0.035 30 20 FBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1197198513 UUYGSBGEZCMOBJ-HUUCEWRRSA-N 350.419 -0.776 30 20 FBED C=CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2O)CCOCC1 1198238863 DDCQGUYGVUXUFG-JHJVBQTASA-N 368.434 -0.896 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 1198541825 JBCRRFWUQZBADZ-QZTJIDSGSA-N 355.438 -0.372 30 20 FBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1198671708 JNSIGWIBGBJFHJ-HZPDHXFCSA-N 363.462 -0.223 30 20 FBED COc1cccc([C@H](C)C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c1 1199087940 DOUIBEXEAWSIFS-APHBMKBZSA-N 360.414 -0.400 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1C 1206964067 VNTBGJALGRFAFY-GRYCIOLGSA-N 351.432 -0.049 30 20 FBED COCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CCOCC1 1207405484 JBFANUWBOWYPJA-ZIAGYGMSSA-N 352.435 -0.494 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](C)C1 1210667411 WGXQEXAUQQONLW-IJEWVQPXSA-N 361.446 -0.283 30 20 FBED CO[C@@H]1CN(CC(=O)NCCCOC(C)C)C[C@H]1NC(=O)[C@H](C)C#N 1212044938 DLKONRSDINFRAM-RBSFLKMASA-N 354.451 -0.107 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2csc(C)n2)[C@H](OC)C1 1213820770 BTTFRGGMSWDWKA-NILFDRSVSA-N 364.471 -0.053 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C 1216092009 ZASASJQCUGGTSD-GMTAPVOTSA-N 362.352 -0.761 30 20 FBED CCOC1CC(C(=O)N2CCO[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1217784271 GNCWXPFXYRIZGK-PFSRBDOWSA-N 350.419 -0.647 30 20 FBED Cc1nc(C(=O)N2CCO[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c(C)s1 1218154893 TYNHDWDSHMOIHC-QWHCGFSZSA-N 363.443 -0.075 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CCF)c1 1218204522 AJRYHGPZPGEENT-UONOGXRCSA-N 364.381 -0.982 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c(C)cnn1C 1218463782 ZAMYXKCUZOQHIE-SOUVJXGZSA-N 359.430 -0.608 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2ncccn2n1 1218809198 HKZOUWDLFFHTTL-LSDHHAIUSA-N 368.397 -0.996 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(OC)cc1 1219004960 XZHHWAAPSCAAAU-DLBZAZTESA-N 357.410 -0.030 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H]2O)c1 1219418234 SRANNGMAXPBEPB-MNOVXSKESA-N 359.308 -0.660 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCO2)C1 1219437725 BJWIPJJXBQPSQC-MJBXVCDLSA-N 368.434 -0.881 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1219517273 SLKHBPXGNRTGBO-BNOWGMLFSA-N 364.402 -0.237 30 20 FBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1220075887 LYYGRFJVZWBLKJ-YCPHGPKFSA-N 362.492 -0.189 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2csc(C)n2)C1 1220211103 GUWJXCNKAUSRII-OCCSQVGLSA-N 365.459 -0.011 30 20 FBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220731860 DKSAWYUOACQHEK-OLZOCXBDSA-N 354.407 -0.488 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2cc3ccccc3n2)C1 1220783380 INXSLTDIPYWIIQ-XKQJLSEDSA-N 371.441 -0.112 30 20 FBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)[C@@H]2C1 1221590738 FNSUBSUPZHSNDU-BFHYXJOUSA-N 362.430 -0.641 30 20 FBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 1222019309 SPQOOMMVKWKGPB-LALPHHSUSA-N 359.430 -0.049 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCC3=O)[C@@H]2C1 1222040835 UNIDGDOUTQKWLN-BZUAXINKSA-N 360.458 -0.331 30 20 FBED 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C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1783055908 GYTHBFAFVQHQFX-KRWDZBQOSA-N 351.403 -0.026 30 20 FBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783172647 RJHFBVXIMQABRT-HBUWYVDXSA-N 367.446 -0.068 30 20 FBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784482670 ARXKUYVVUBTVKX-XUJVJEKNSA-N 353.448 -0.013 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794866004 MFHAPYXLQPZGDG-MPTYRVRUSA-N 360.414 -0.489 30 20 FBED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795417346 BBFFIVANGUZBMM-JJLQDPRZSA-N 361.402 -0.064 30 20 FBED CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205830 RBGWRDPMLCMBJF-LBPRGKRZSA-N 361.358 -0.374 30 20 FBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829867287 SQVMEDFBHFOYNJ-YJBOKZPZSA-N 367.446 -0.066 30 20 FBED NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098217 BOZXQYCSYJWRDM-IBGZPJMESA-N 357.410 -0.547 30 20 FBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)CC1 1835342660 IDJNEOHVZZGDDU-QGZVFWFLSA-N 359.386 -0.217 30 20 FBED Cn1cncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342742 OGVSEUHSDXSIPQ-SFHVURJKSA-N 373.413 -0.206 30 20 FBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1841609710 REDHGKXRGAHEEH-HIFRSBDPSA-N 367.446 -0.068 30 20 FBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)CCC1 1841893003 PZLISTMQADQEMK-UHFFFAOYSA-N 359.386 -0.565 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842132319 XEINTPLOWNHVCA-WAYWQWQTSA-N 358.402 -0.510 30 20 FBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842949852 UPJQJCINDZVAIV-OLZOCXBDSA-N 351.403 -0.709 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 28681265 QDOFBHDVSQLIBA-UHFFFAOYSA-N 363.326 -0.300 30 20 FBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCO[C@H](C#N)C1 266149078 QLBJMFDFHCENPR-ZYHUDNBSSA-N 355.420 -0.545 30 20 FBED Cc1nncn1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268869213 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Cc1nc2n(n1)C[C@H](/N=C(/O)N[C@@H]1CCN(c3cnn(C)c3)C1=O)CC2 329580026 UMURRUUEIQSQIR-DGCLKSJQSA-N 358.406 -0.056 30 20 FBED O/C(=N/C[C@@]1(O)CCSC1)Nc1ccn(CCN2CCOCC2)n1 330038408 ZZMYVZNBDXRHBA-HNNXBMFYSA-N 355.464 0.409 30 20 FBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CCC[C@H]1C#N)C2 332909517 HMTUBYKUUARGSD-RYUDHWBXSA-N 361.406 -0.650 30 20 FBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](C)C1 349496611 PQHGGFSYYDUZIQ-OLZOCXBDSA-N 367.493 -0.152 30 20 FBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349527300 VETBISUAQRHCLM-DGCLKSJQSA-N 365.477 -0.615 30 20 FBED CN(c1cnccn1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349605285 UUFVHFOOPZJMKH-UHFFFAOYSA-N 373.460 -0.192 30 20 FBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)NC2(CCCC2)C1=O 409511810 QYKXIPXHZFPCSI-NSHDSACASA-N 357.436 -0.223 30 20 FBED COCCN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 409519692 PPYWJVOKUPUSKB-CQSZACIVSA-N 365.452 -0.224 30 20 FBED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC#N)cc1 427892750 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N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651297 DAWGKIBHCYVFSI-LLVKDONJSA-N 352.372 -0.094 30 20 FBED C=CCCSCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 597361177 OKYAYCSKOXJPCF-GHMZBOCLSA-N 350.462 -0.660 30 20 FBED N#C[C@@]1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCSC1 604497876 BTPKQKMOYIMMOP-CJNGLKHVSA-N 352.460 -0.317 30 20 FBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CCO1 619712069 DGISYZRIHFSUCX-KBPBESRZSA-N 356.448 -0.164 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1 729281966 UBWZDBSXMJPUJN-UHFFFAOYSA-N 360.414 -0.398 30 20 FBED COC(=O)CN(CC#N)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 737859558 BUFQAKHGXLHUKL-UHFFFAOYSA-N 364.383 -0.360 30 20 FBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(C(=O)O)o1 740304832 YAMNWPPIZMLIFT-VAWYXSNFSA-N 355.328 -0.218 30 20 FBED C[C@@H](CC(N)=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743525055 MWEDSGILHZDFIH-VHSXEESVSA-N 352.416 -0.116 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)CSCCN(CC)CC)CC1 746215271 LMHATECCFDLIIH-UHFFFAOYSA-N 354.520 -0.045 30 20 FBED C#CCN1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 748814892 HLPHAGNQGBYMMH-UHFFFAOYSA-N 352.442 -0.147 30 20 FBED CON=Cc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 770294754 JRXVMEXNQZGLGX-UHFFFAOYSA-N 374.353 -0.314 30 20 FBED C#C[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCCO1 772886553 GCCQLOCYRJTZLT-NWDGAFQWSA-N 359.386 -0.879 30 20 FBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 792449102 GFBKJTUJMPSTDU-ZDUSSCGKSA-N 362.434 -0.583 30 20 FBED C#CCC[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 799084142 VEVVDHUBJGAJDQ-DGCLKSJQSA-N 367.427 -0.657 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 831575117 XWDWQXXNHFMADM-AWEZNQCLSA-N 371.846 -0.015 30 20 FBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1 839097227 ONFCMGVYJUMHHM-UHFFFAOYSA-N 365.418 -0.118 30 20 FBED C#CCN=c1nc(N2CCO[C@H](CF)C2)[nH]c(N2CCO[C@@H](CF)C2)n1 840356084 ZJLCJYLRQPAGJE-BETUJISGSA-N 368.388 -0.312 30 20 FBED O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N[C@H]1CCCN(O)C1=O 848134056 MQMOSDCYBPLPLT-JTQLQIEISA-N 367.387 -0.662 30 20 FBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)c1cnn(C)c1 848960422 AMMGZRVOGGTDRD-LBPRGKRZSA-N 362.477 -0.141 30 20 FBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nccc(SC)n1 848967387 ZZXKKNCJPIYURX-UHFFFAOYSA-N 364.474 -0.117 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCn4ncnc4C3)CC2)cc1 867483624 FNBYKXUTIYUWOD-UHFFFAOYSA-N 365.397 -0.159 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 938033312 COQQIVSLSCKECP-ZNMIVQPWSA-N 364.446 -0.884 30 20 FBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 942800721 FCIWTQUPDBDUTE-UPJWGTAASA-N 360.418 -0.352 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 958973888 RQMZNYNALVZZDC-UQOMUDLDSA-N 363.418 -0.325 30 20 FBED CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960535863 WLQJXHUOEUBNGD-IXDOHACOSA-N 359.426 -0.151 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CC(OCC)C3)C2)nn1 962685245 ASTJMEZLLSCZDR-SJQFEJMWSA-N 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C[C@@]1(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS(=O)(=O)C1 553875715 HSKCSOYEXPHWRR-CQSZACIVSA-N 371.440 -0.470 30 20 FBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 565517825 OCLRAIFJRILIPB-UKRRQHHQSA-N 354.428 -0.034 30 20 FBED C=CCNC(=O)CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 565856040 WWTUDWQKACSTHH-GFCCVEGCSA-N 358.464 -0.208 30 20 FBED CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@H](CN)C1 576976840 PGFURFDDIMJMDR-MRXNPFEDSA-N 370.457 -0.692 30 20 FBED C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 580784984 KIZDLYUPCPNVET-JTQLQIEISA-N 359.429 -0.320 30 20 FBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594545381 NJSAALXAYKSPDS-BXUZGUMPSA-N 373.456 -0.026 30 20 FBED CNC[C@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 595282082 UOXZEZMEGDPGAG-NSHDSACASA-N 360.418 -0.204 30 20 FBED C=C(CN=c1ccc(C(=O)OC)n[nH]1)CN=c1ccc(C(=O)OC)n[nH]1 596554198 WJFKDFGGMMRCSO-UHFFFAOYSA-N 358.358 -0.236 30 20 FBED C=C(C)CN(CC)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671356731 AMBSBBLFYUWCOR-UHFFFAOYSA-N 360.480 -0.896 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)C1=O 684987130 ALSRAOVOSDBPEI-GFCCVEGCSA-N 373.413 -0.565 30 20 FBED C#CCNC(=S)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 758192759 OWKHGENCLASHAV-BETUJISGSA-N 360.505 -0.534 30 20 FBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 761082193 ZZDMANVKOAFYMK-GFCCVEGCSA-N 350.306 -0.621 30 20 FBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCCO1 773800849 VCHVBEZREUQOEX-KGLIPLIRSA-N 365.411 -0.170 30 20 FBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCNc1ncccc1C#N 774179896 VGARRJKQPMFIDJ-TZMCWYRMSA-N 361.402 -0.520 30 20 FBED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)N(C)CCC#N 800233605 CLXKYYRXQWNUAY-NSHDSACASA-N 368.415 -0.149 30 20 FBED Cn1cc(S(=O)(=O)NN=C2CCc3ccc(C#N)cc32)c(=O)n(C)c1=O 811645298 HJKAQXIURIXUEU-UHFFFAOYSA-N 373.394 -0.416 30 20 FBED CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCCN(O)C2=O)c2ccccn12 816756603 AJZVVKABFJNLOJ-SECBINFHSA-N 352.372 -0.152 30 20 FBED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NS(=O)(=O)CCC#N)C2=O 835413112 YZDLEZJCDZNHLG-HZMBPMFUSA-N 356.404 -0.153 30 20 FBED O=C(OCC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)N1 859733049 GBEXNBNYSRWZJO-CYBMUJFWSA-N 362.363 -0.479 30 20 FBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(=C)C 909321911 YELIJGZRRGJJGH-CQSZACIVSA-N 356.430 -0.043 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1=O 911516661 CVULFUQLVCRPCR-BZUAXINKSA-N 356.426 -0.027 30 20 FBED CN1CCN(C(=O)CCNC(=O)NCCNc2ccc(C#N)cn2)CC1 916433971 JYWVQZOMYYTOBU-UHFFFAOYSA-N 359.434 -0.172 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CC(=O)NC[C@@H]1c1ccccc1)[C@H]1CCCO1 930467039 OSAIVUMTIFGSIT-ARFHVFGLSA-N 355.394 -0.017 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)[C@H](OC)C2)cn1 944465984 SJROXEMLDRSMQW-QLFBSQMISA-N 371.397 -0.958 30 20 FBED C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 949255922 FPCNWWDONAFERS-IRUJWGPZSA-N 365.415 -0.845 30 20 FBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)c1 960918437 YTCQYLBEHXMEJH-OWCLPIDISA-N 368.393 -0.749 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(O)nn3)C2)cc1 961373581 GOJLFTSGHZQMPL-CABCVRRESA-N 352.350 -0.221 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 961911541 ACHBARARKZDEDY-CABCVRRESA-N 369.381 -0.260 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 962259549 BCJPWBJWDKYLLX-NIFZNCRKSA-N 362.430 -0.301 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@@H]2O)c[nH]1 962392963 LYYRIULXIWKLNV-JQAFLVLXSA-N 368.397 -0.284 30 20 FBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(OC)no3)C2)c1 962418351 HSNPWZYGLYNDAM-OLZOCXBDSA-N 356.338 -0.325 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1[nH]c(O)nc1C 964356092 LKKFJYCSTCFPNI-XQQFMLRXSA-N 364.402 -0.028 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)CCNC(=O)C3)C[C@@H]2O)nc1 969348928 WDEACSVAQYKLDR-ZRGWGRIASA-N 370.409 -0.719 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 969414447 JBKQPLVHTJZZDJ-MSOLQXFVSA-N 365.389 -0.155 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1O 969414688 LWUDSWCOSTZZHZ-MSOLQXFVSA-N 367.449 -0.006 30 20 FBED Cc1nc2c(C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3O)ccnc2[nH]1 969609923 JRCITHUPWZXRGQ-KGLIPLIRSA-N 353.382 -0.019 30 20 FBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C 988271060 PNWLWPGDJAHJBT-UPJWGTAASA-N 361.406 -0.556 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cn2ccc(O)nc2=O)C1 992028943 OFTUTYYOADGEOV-WFASDCNBSA-N 362.386 -0.743 30 20 FBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)nn1 994027882 XPVGPLHXWYEVSM-LPWJVIDDSA-N 360.418 -0.590 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCC(=O)NC2=O)C1 999674816 OXVFDVDKJCSTSR-WFASDCNBSA-N 364.402 -0.764 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2C)CC1 1011026174 OPAXDLHGZHJSKC-JYJNAYRXSA-N 351.447 -0.031 30 20 FBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1019674172 CQKRRLGFHIZTNV-OAGGEKHMSA-N 370.409 -0.468 30 20 FBED CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023467715 XIJXPMWMRMOCCY-QLFBSQMISA-N 359.386 -0.801 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCCCO3)C[C@H]2O)nn1 1023769014 GGBZFTMNWVZGSW-GZBFAFLISA-N 363.418 -0.275 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N(C)C3)C[C@H]2O)cn1 1024926107 VXTASXBTEKTJAT-NUEKZKHPSA-N 370.409 -0.767 30 20 FBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1025759650 IWHMZJPMIZAYMW-JHJVBQTASA-N 362.434 -0.474 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1039855330 CHDYVASFOFVHDG-IIYDPXPESA-N 365.430 -0.687 30 20 FBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)ccc1C#N 1041049567 NXGHBICBXUFMLN-ZIAGYGMSSA-N 354.370 -0.332 30 20 FBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1041064843 GZGJLMVLWRGYDU-MGPQQGTHSA-N 353.386 -0.527 30 20 FBED Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CN(c3ccc(C#N)nn3)C[C@H]1O)CC2 1041214065 NLOJRBAJJHMJSQ-HFBAOOFYSA-N 367.413 -0.149 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnsn2)C1 1041695346 XIVLPCLMDOZIKU-PWSUYJOCSA-N 352.416 -0.178 30 20 FBED Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H](C)C2)c1C#N 1041986082 WAWIUCWZJJUPFP-JFUSQASVSA-N 369.472 -0.044 30 20 FBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1042806792 JYLSDCZDMLAVQZ-LBEHMCEESA-N 368.430 -0.946 30 20 FBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1ccnc2[nH]nnc12 1043029021 UTIDBACDHMJAFZ-VXGBXAGGSA-N 365.357 -0.352 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043470802 YNLMVZKAWRGRCU-STQMWFEESA-N 367.446 -0.441 30 20 FBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2CCCCC(=O)N2)nn1 1043790241 SZKUYNROVJZYRZ-SOUVJXGZSA-N 370.413 -0.177 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C)nc(C)n2)C1 1043883985 YUMSFPMPMTYWTR-HIFRSBDPSA-N 360.414 -0.012 30 20 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359.308 -0.100 30 20 FBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1024658739 KGGSXFDZSICTSW-QFSBIZTOSA-N 351.403 -0.671 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)C[C@H]2O)nc1 1024926675 LEHZERSGCJDXRM-NVXWUHKLSA-N 366.377 -0.325 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 1025548118 XELSDPZVMYRKCD-OWCLPIDISA-N 359.426 -0.084 30 20 FBED Cc1nonc1C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2cnc(C#N)cn2)C1 1039606160 CZZJGVBSDPBKHE-NEPJUHHUSA-N 366.345 -0.191 30 20 FBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)nn1 1041029329 YFULFBGEEYGQKC-ZIAGYGMSSA-N 367.369 -0.182 30 20 FBED CCOc1cnc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)cn1 1041084985 JSFCFNCVRLEWDH-CHWSQXEVSA-N 355.358 -0.484 30 20 FBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCn4cncc4C3)C2)n1 1041206797 YQQAWPFZMUNSEZ-KCPJHIHWSA-N 353.386 -0.527 30 20 FBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)C2)ccc1C#N 1041419074 AMKMAMGFBORAMG-LBTNJELSSA-N 357.414 -0.156 30 20 FBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041538435 HTGADBFOGDAZIX-ZENOOKHLSA-N 361.402 -0.397 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cn(C)c(=O)nc1O 1041965494 KNBOIYIFYNCGCA-MWLCHTKSSA-N 355.358 -0.598 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 1041965733 AKSSMLPYHKRGKE-HOCLYGCPSA-N 362.430 -0.367 30 20 FBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnn2c1OCCC2 1043029024 UXBPQAWEDLWKDC-ZIAGYGMSSA-N 369.385 -0.039 30 20 FBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)C[C@@H]2CCC(=O)NC2)nn1 1043757956 LUQVCCNLGFHLAA-AEGPPILISA-N 370.413 -0.319 30 20 FBED N#Cc1cnc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CNC(=O)N2)c(F)c1 1043789947 QBQYIJYRQLAQRH-FRRDWIJNSA-N 360.349 -0.810 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)cn1 1044105098 DJRSCBYHEFNNTR-CVEARBPZSA-N 356.386 -0.224 30 20 FBED Cn1cc(CC(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)c(Cl)n1 1044534147 YESZAJTYCLMXNN-NEPJUHHUSA-N 361.793 -0.356 30 20 FBED 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C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1069963829 QHONDEHGIRHFOQ-UPJWGTAASA-N 358.406 -0.635 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)ccc1=O 1069967271 WPVVSJKXAHQHLX-CABCVRRESA-N 371.401 -0.735 30 20 FBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1070109198 KPXJYYYBIRSQCR-AGIUHOORSA-N 367.841 -0.085 30 20 FBED C#CCN[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@@H]1n1ccnn1 1070261032 ZLQNLVVZFRQCJC-OLZOCXBDSA-N 351.374 -0.757 30 20 FBED Cc1nc2n(n1)C[C@@H](C(=O)N1C[C@@H](NCC#N)[C@H](c3cncn3C)C1)CC2 1070673245 JMDJBRPLMXSRIG-RRFJBIMHSA-N 368.445 -0.010 30 20 FBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCN(C)[C@@H]1CC 1076220163 RCUHTUDVHMVGEU-SOUVJXGZSA-N 350.463 -0.133 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)C1=O 1076928280 LXSGBLSKYWEGSJ-MGPQQGTHSA-N 353.419 -0.912 30 20 FBED C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O)N1C(=O)CCC1=O 1077088178 ZLWUSBCUHVGYOW-APHBMKBZSA-N 370.409 -0.243 30 20 FBED 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368.459 -0.278 30 20 FBED C=CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@H](C)COC 617579993 OUQBYKFEATWOIY-SNVBAGLBSA-N 358.420 -0.559 30 20 FBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CCO1 619711998 RXSOHJAGEWZTHD-KBPBESRZSA-N 356.448 -0.021 30 20 FBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 658916297 HKPQHOHAKDQNMA-SNVBAGLBSA-N 371.390 -0.033 30 20 FBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N3CC=CC3)C2)c1=O 742161583 QOPNBJQGYKOQCD-HNNXBMFYSA-N 359.430 -0.553 30 20 FBED N#Cc1cccc(CNC(=O)COC(=O)CN2CCS(=O)(=O)CC2)c1 746573421 LMBYIVPFKBFWCB-UHFFFAOYSA-N 365.411 -0.552 30 20 FBED C#CCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 753233902 ZQYULCGFJRNISH-LLVKDONJSA-N 353.400 -0.782 30 20 FBED COC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 760074862 AOYDTAROKLYLQW-ONGXEEELSA-N 368.415 -0.880 30 20 FBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(=O)NC)cc2)CC1 761025470 UPKCRTLOPQQEFQ-UHFFFAOYSA-N 350.444 -0.369 30 20 FBED CS(=O)(=O)NC1CC(NC(=O)NCCNc2ncccc2C#N)C1 801069012 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373.523 -0.195 30 20 FBED CC(C)[C@@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 417441617 AXDXMNOPNJHRFU-UTUOFQBUSA-N 360.436 -0.378 30 20 FBED C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 418904159 IWTHCGCASZOITB-WFASDCNBSA-N 357.414 -0.025 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCCCNC1 419949708 LOPMXHGMELAKGQ-KBPBESRZSA-N 371.445 -0.356 30 20 FBED N#CCC1(CS(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 451075641 XQEUNVJPOVPIQF-UHFFFAOYSA-N 368.459 -0.223 30 20 FBED C=CC[C@H](CO)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 469144887 YABDTYYMIUWRBB-ZDUSSCGKSA-N 353.444 0.549 30 20 FBED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C 479371614 OBXPXGFGJXUTJW-UHFFFAOYSA-N 358.423 -0.120 30 20 FBED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CCCS(N)(=O)=O 507461120 RUXNQBOZWQLAKS-UHFFFAOYSA-N 371.444 -0.022 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)CC2CCCC2)C1=O 513349181 TYGRCJZVWZTCKC-UHFFFAOYSA-N 364.402 -0.224 30 20 FBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 520438863 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C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)c1cnn(C)c1 848960410 AMMGZRVOGGTDRD-GFCCVEGCSA-N 362.477 -0.141 30 20 FBED CC(C)(C)n1nnc(C=NNC(=S)NCCCN2CCOCC2)n1 853268298 YTCLTPLMMLALSE-UHFFFAOYSA-N 354.484 -0.052 30 20 FBED N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 860693072 CQJDVWZQDSIZKA-UPJWGTAASA-N 360.326 -0.047 30 20 FBED CN(CCC#N)C[C@H](O)CN[C@H]1CCCN(CCN2CCOCC2)C1 905446356 HATNFHKKLLNOEY-ZWKOTPCHSA-N 353.511 -0.421 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2OC)CC1 942128145 IDKYDOBLWPDDJR-IAGOWNOFSA-N 371.441 -0.223 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2OC)c1 946640764 MJWRZECBUNPVNI-UKRRQHHQSA-N 354.370 -0.539 30 20 FBED Cc1[nH]nc(C(=O)N2CCO[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)c1O 960247934 VNLLVEIGVOEZAR-QWHCGFSZSA-N 370.369 -0.011 30 20 FBED O=C([C@H]1CCc2nn[nH]c2C1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365284 KOAWAYMGMSAJIL-RRQGHBQHSA-N 369.425 -0.239 30 20 FBED 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CN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ncc(C#N)s1 594637754 GUXBXTWCQWKKAU-UHFFFAOYSA-N 352.463 0.428 30 20 FBED N#CCCN1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 602226658 HYUOZPKBHFOLKC-OAHLLOKOSA-N 352.435 -0.254 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)CCn2c(C)csc2=O)CC1 728534548 MPWJYPPBFLOQJN-UHFFFAOYSA-N 350.444 -0.498 30 20 FBED C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 745479649 VQRUVOZLCUUMBW-QPKSUZNQSA-N 363.370 -0.547 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)C1=O 748564593 LXAHBXHVEDSFRY-LBPRGKRZSA-N 369.341 -0.618 30 20 FBED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N[C@H](C)CC)CC2)CC1 748816888 VZTGHLSRTVELFI-QGZVFWFLSA-N 363.506 -0.704 30 20 FBED CN1CCN(c2ncc(C=NN=c3nc4[nH][nH]cc-4c(O)n3)cn2)CC1 755704331 RDBYWLJSYJIKPS-UHFFFAOYSA-N 354.378 -0.580 30 20 FBED C#CCCN1CCC(NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 759803470 KKSHKDQQYIOVFQ-UHFFFAOYSA-N 356.492 -0.833 30 20 FBED N#Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1 780645712 VRPZRMCSWGYJSM-UHFFFAOYSA-N 370.413 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C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1noc2c1COCC2 960465018 BIBINTZVVYAXPT-SCDSUCTJSA-N 360.370 -0.041 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)cc1 960726124 VXZAGTCMRMCKSK-IXDOHACOSA-N 367.405 -0.144 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cccnc3)C2)nn1 962293293 LPFIWCKRAHAZDF-HIFRSBDPSA-N 356.386 -0.597 30 20 FBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)cc1 963288230 WZVXCJSSAIVXCD-SJORKVTESA-N 368.393 -0.034 30 20 FBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc4nn[nH]c4n3)C2)c[nH]1 966936465 WADOERGGMFARJK-OLZOCXBDSA-N 366.341 -0.832 30 20 FBED C=CCn1cc(C(=O)N2CC(N(CC)C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 968090089 UIHZUDHCSDIQFZ-WFASDCNBSA-N 363.418 -0.059 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(OC)n(C)n3)C2)nc1 969256288 GZMCGFBFYGNESL-CABCVRRESA-N 369.381 -0.580 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3nccc3C)C[C@@H]2O)nc1 969351749 ZLPDBMCPSHPIKH-CVEARBPZSA-N 353.382 -0.430 30 20 FBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)c[nH]1 969649263 JMTQTJPNHGANIR-HVQZGBDUSA-N 374.397 -0.761 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]21 976586417 PFQLATKLELSQJF-DTJSUFBGSA-N 363.458 -0.127 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C)nc1 988895300 RIXCQKRKJBZTMU-BNOWGMLFSA-N 368.393 -0.165 30 20 FBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)c[nH]1 990944823 PGAGLXPNDKZVNM-GDLCADMTSA-N 369.385 -0.384 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 992027374 BOMVRRGHOYVLFC-MJBXVCDLSA-N 371.459 -0.672 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](c2cn(C)cn2)C1 993555994 FBPKMNZBGAGXJE-GMXVVIOVSA-N 356.390 -0.567 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)c1 996019981 OAOSBAZUKOPXMB-MDZLAQPJSA-N 370.369 -0.700 30 20 FBED CN1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CC1=O 997751013 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1028813168 WXHNHQYDCUXUOU-MCIONIFRSA-N 350.419 -0.433 30 20 FBED CS[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1039581207 ZBPHFLXHKZVCLP-UTUOFQBUSA-N 358.431 -0.023 30 20 FBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041142955 BRCSFHZEWWHWAI-CHWSQXEVSA-N 370.369 -0.629 30 20 FBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cnc4n3CCCC4)C2)n1 1041297339 CVBVRQPJOMRDQV-TZMCWYRMSA-N 353.386 -0.139 30 20 FBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cn(C4CCC4)nn3)C2)n1 1041394924 UHUWJMOBJKNBAN-UKRRQHHQSA-N 368.401 -0.047 30 20 FBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC1CS(=O)(=O)C1 1042919811 USBTUQHTYJXDIT-ZIAGYGMSSA-N 364.427 -0.292 30 20 FBED CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 1042939057 GETMVGNQCAMGEZ-UMVBOHGHSA-N 358.402 -0.395 30 20 FBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1ccc(=O)n(C)c1 1043026118 CWGLCMRKINYEMJ-ZIAGYGMSSA-N 354.370 -0.319 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cncc(OC)n2)C1 1043030524 BUCHKRMFAFVCAM-YPMHNXCESA-N 362.386 -0.621 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1043257086 LZIFVFLWRXMJLL-CABCVRRESA-N 363.458 -0.247 30 20 FBED C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043327451 WBUYXGLDOGGWCR-GHMZBOCLSA-N 351.432 -0.148 30 20 FBED C=C[C@@](C)(CCOC)C(=O)N1CC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1043656911 YWOXOZMDGKMEPQ-ZQIUZPCESA-N 370.446 -0.291 30 20 FBED N#Cc1cncc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2c[nH]c(C(N)=O)c2)n1 1043725612 FOFBXSAEBSKFRW-UONOGXRCSA-N 367.369 -0.495 30 20 FBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2nnc(O)nc2O)nc1 1043819245 ZHUMHKPKPMSFGJ-WDEREUQCSA-N 369.341 -0.721 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn3cccnc3n2)C1 1043973433 FSIVYBAYOKCROW-OCCSQVGLSA-N 371.397 -0.377 30 20 FBED CCOc1cnc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)cn1 1044031785 PFIKSYCBSGKNDQ-OLZOCXBDSA-N 355.358 -0.484 30 20 FBED 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CC1=C(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)[C@@H](C)n2ncnc2N1C 1575860477 JEJFZVCWYIVXNA-SSDOTTSWSA-N 366.349 -0.024 30 20 FBED C#CCN1CCC(C(=O)N[C@@H](C)CNc2cnc(-c3nn[nH]n3)cn2)CC1 1588351808 LLYVXHNRQPJAPG-LBPRGKRZSA-N 369.433 -0.082 30 20 FBED C=CCOCC(=O)NC1(CO)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588674031 HAYIPNPETSTIOD-UHFFFAOYSA-N 374.405 -0.693 30 20 FBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(-c2nn[nH]n2)c1 1589975193 VRUCCXBFGWXEDS-MFKMUULPSA-N 363.403 -0.014 30 20 FBED C[C@@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)n1cnc(-c2nn[nH]n2)n1 1590006290 RJRMRXIQHXCJAG-DTWKUNHWSA-N 359.350 -0.487 30 20 FBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)cn1 1602724833 HHIDRZLUCJUCRN-GXTWGEPZSA-N 371.401 -0.379 30 20 FBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1609174630 ADEITEDWIGWUNP-SNVBAGLBSA-N 351.388 -0.768 30 20 FBED N#Cc1ncn(CC(=O)c2ccc(Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 1609501545 WKUCDBSNNWLPHN-UHFFFAOYSA-N 361.329 -0.147 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O 1756497447 CHZNWSPQUSOAIJ-MJBXVCDLSA-N 365.434 -0.474 30 20 FBED C#CCOCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 1756958879 YZRKEBRRYBIFBR-SWLSCSKDSA-N 358.398 -0.174 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CO[C@@H](C)CC)C[C@H]2O)CC1 1757006249 YMSPYNPKACLLNP-USXIJHARSA-N 365.474 -0.165 30 20 FBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1783164770 VCBDJSISHOCTPY-RHSMWYFYSA-N 360.418 -0.400 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784341268 HGWHXKQFUMTBIJ-IUODEOHRSA-N 353.448 -0.184 30 20 FBED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703592 WVSJIZXRIDOHNX-KKUMJFAQSA-N 353.419 -0.067 30 20 FBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)CCC1 1795453987 MZKFVYYQGIFMCC-XOIINTDNSA-N 374.441 -0.108 30 20 FBED N=C(N)SCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988563 DMZQUZFJMIJNDB-JGPRNRPPSA-N 352.416 -0.271 30 20 FBED C#CC(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1812526617 JHJULFTXDRWJDA-JJRVBVJISA-N 358.398 -0.217 30 20 FBED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n[nH]1 1834760516 FORNDNMFUXMTGQ-QGZVFWFLSA-N 361.402 -0.369 30 20 FBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc(N)nc1C)CCO2 1835808040 SSTACXWKGSMSRB-INIZCTEOSA-N 364.427 -0.263 30 20 FBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840171473 HTTVBYKPJYLEMC-KDOFPFPSSA-N 367.446 -0.066 30 20 FBED CC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812288 IXHRDZJGQUGLEQ-RDTXWAMCSA-N 365.430 -0.092 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 188421707 VCBKFEULRWCICN-CQSZACIVSA-N 372.416 -0.764 30 20 FBED C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCC[C@H](CC(N)=O)C1 261695352 FQGMUYDAVHADCH-OLZOCXBDSA-N 359.496 -0.569 30 20 FBED CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 263819647 XEZDERJEWMWZOA-UHFFFAOYSA-N 371.441 -0.042 30 20 FBED C#CCNC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 298711958 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COCCn1cc2c(n1)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)CCC2 409518887 NTORPIJTEVNJCX-KGLIPLIRSA-N 369.447 -0.034 30 20 FBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 410903329 BOXIIDQKVMKDAV-HNNXBMFYSA-N 368.478 -0.294 30 20 FBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C(=O)O)C3)C2)nc1 422925743 BOLURLOCOQHJTC-QWHCGFSZSA-N 358.354 -0.134 30 20 FBED N#Cc1cccc(NCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 426449522 IAZBZMDLTVUWEL-UHFFFAOYSA-N 354.374 -0.672 30 20 FBED N#Cc1ccc(F)c(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 443518295 FYIKQOAQQQGVKJ-UHFFFAOYSA-N 369.422 -0.187 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 489123073 SXXHYUHCSFUZHJ-AWEZNQCLSA-N 351.451 -0.373 30 20 FBED CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 531712755 RHSISMBTMMWBPA-BXUZGUMPSA-N 364.427 -0.038 30 20 FBED COC(=O)[C@@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCOC1 538145421 UGLPPFHXAZLGAW-RHSMWYFYSA-N 352.435 -0.400 30 20 FBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)CC1 550485907 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N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)n1 410668223 MHNRGNCYSPHXMY-BPUTZDHNSA-N 369.425 -0.169 30 20 FBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)n2)c(F)c1 442253439 HGUXQCHZAFFLKL-NEPJUHHUSA-N 373.344 -0.224 30 20 FBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(N)no2)c1 461548872 VKJLLUUQIGURCS-UHFFFAOYSA-N 351.388 0.089 30 20 FBED CN(CCOCCO)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506091067 JYZGNJCFCCRNEB-UHFFFAOYSA-N 355.416 -0.041 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)c1C#N 530522185 FXMBJMBFYLBSKZ-HNNXBMFYSA-N 359.478 -0.115 30 20 FBED N#Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c[nH]1 539809209 RSPMLQSEPJVHAY-UHFFFAOYSA-N 367.431 -0.342 30 20 FBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)n1 560188705 FEVYTPVGOFCPAT-OLZOCXBDSA-N 365.434 0.548 30 20 FBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1F 567972991 QJHIHVDTABQEMO-NSHDSACASA-N 354.363 -0.085 30 20 FBED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)nn1 585761938 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C[C@H](C[S@](C)=O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 753154227 MGFPVHIHEAQWHH-STFLBKPXSA-N 357.457 -0.002 30 20 FBED C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 772134494 VAKCIBIKOHCTDA-DZGCQCFKSA-N 370.471 -0.091 30 20 FBED C=Cn1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cn1 772304577 VRFCKSMEVVZDQF-UHFFFAOYSA-N 354.395 -0.678 30 20 FBED C=CCS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 772710377 MBCUXSYCTIZFGV-UHFFFAOYSA-N 374.440 -0.047 30 20 FBED C[C@H]1C[C@H](C(=O)OCC(=O)NCC#N)[C@H](C(=O)OCC(=O)NCC#N)C1 775145092 RTAORKFZPCWKGN-CNDDSTCGSA-N 364.358 -0.985 30 20 FBED CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)CCN2C1=O 787588782 NXDGGVDEWWGFLO-CQSZACIVSA-N 373.417 -0.050 30 20 FBED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)nc1 806304087 FVZDUSGQUBCDQW-CYBMUJFWSA-N 353.386 -0.122 30 20 FBED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)[C@@H]1CN(C)CCO1 809442888 WOBUIHRVTRCCLA-OCCSQVGLSA-N 360.418 -0.683 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1 831555830 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358.402 -0.755 30 20 FBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3ccc4nn[nH]c4n3)C2)n1 1041411845 VCRGQPLBLHCRAY-ZIAGYGMSSA-N 364.369 -0.093 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1O 1041416185 NNNFFOIUKWJOTF-QLFBSQMISA-N 359.430 -0.959 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1043222564 QHMZDKYKUJUIHV-HOCLYGCPSA-N 353.463 -0.001 30 20 FBED CN1C[C@@H](C(=O)N2CCO[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)CC1=O 1043807208 ZPQVCBIGMLYBIQ-VBNZEHGJSA-N 355.398 -0.152 30 20 FBED Cn1nc2c(c1C(=O)N[C@@H]1CN(c3cnc(C#N)cn3)C[C@@H]1O)CCCC2 1044234579 NHLLADYPMDBTLH-CABCVRRESA-N 367.413 -0.060 30 20 FBED N#Cc1c(Cl)nsc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1044377001 NIZJUBUFBOCBLE-VDAHYXPESA-N 355.807 -0.530 30 20 FBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccc4nc(O)[nH]c4n3)C2)n1 1044458116 ULPJRJHPIKTJNM-NEPJUHHUSA-N 366.341 -0.695 30 20 FBED CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044636552 IEBNCJMCPNWOSD-OLZOCXBDSA-N 356.390 -0.571 30 20 FBED 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FBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783900915 QXILNOLPKNRYOE-RISCZKNCSA-N 364.489 -0.431 30 20 FBED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 1785872571 YMXWEXQCLMHBQY-KKUMJFAQSA-N 357.414 -0.178 30 20 FBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)C1 1792623769 NOEQMFHWDQEEHJ-MIFYACCESA-N 364.446 -0.187 30 20 FBED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CC1 1795846714 SQWCXUSEUKSZTN-GFQSEFKGSA-N 364.402 -0.007 30 20 FBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799283978 MQMVXINQRUHSSY-PDWCTOEPSA-N 357.476 -0.335 30 20 FBED CC(=O)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800944017 UXJGGNSJGNAMMI-YGSHXTJESA-N 350.371 -0.721 30 20 FBED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985109 YKSKQRSXIYTGNZ-HGTKMLMNSA-N 374.441 -0.039 30 20 FBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825012218 RVEGJTLHHSZNSH-MRVPVSSYSA-N 361.383 -0.760 30 20 FBED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208354 MDBTVGCNNPGUEG-GOSISDBHSA-N 366.414 -0.525 30 20 FBED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1834170431 HUCRUOBLQINTDP-GOSISDBHSA-N 373.413 -0.206 30 20 FBED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760199 JKZCXHKVDVUHLI-INIZCTEOSA-N 355.391 -0.981 30 20 FBED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1834982560 OGPHSHQZZOZLEV-QGZVFWFLSA-N 351.403 -0.217 30 20 FBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1835359049 UJOKJZWHAMSZDN-MRXNPFEDSA-N 362.390 -0.962 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835819566 UHYCKJVXPMHGHK-FXAWDEMLSA-N 371.437 -0.182 30 20 FBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836155345 AUJQDHIZKLBADK-SFHVURJKSA-N 358.398 -0.006 30 20 FBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840176913 XTIIJXJKTGIZDF-INIZCTEOSA-N 374.459 -0.546 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)C=C)C2 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C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1 418813818 FBPUZXKNKMKLSB-ILXRZTDVSA-N 366.462 -0.603 30 20 FBED CCNCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 418911024 PLGCFPXQDWHDIT-HNNXBMFYSA-N 357.414 -0.104 30 20 FBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@H](C(=O)O)C3)CC2)n1 422864730 VTSYHNRLGYFWOM-ZDUSSCGKSA-N 371.397 -0.075 30 20 FBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)n1 444506793 LVZKJYJIFHHREX-UHFFFAOYSA-N 373.461 -0.025 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2ncnc2C1 474832536 NVRBURIHTQWHBH-NSHDSACASA-N 360.399 -0.141 30 20 FBED COCCN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 499341480 GOQMKBLDXHGKEC-OAHLLOKOSA-N 352.435 -0.444 30 20 FBED C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 508276121 WPMMBOGQHKGCRL-FZMZJTMJSA-N 364.427 -0.038 30 20 FBED CN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 510662450 LLGCGHQSRXMFGV-LLVKDONJSA-N 350.466 -0.377 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)N(Cc3ccccc3)C2)C1=O 536542736 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C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 728533707 PULNLZVFLULFPJ-UHFFFAOYSA-N 368.393 -0.580 30 20 FBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)CC1 729277704 DEVVEPKBMLPERO-UHFFFAOYSA-N 355.441 -0.294 30 20 FBED N#C[C@@H](C(=O)c1cccc(-n2cnnn2)c1)C(=O)N1CCS(=O)(=O)CC1 732910619 SNTCVZSWBVRLOO-ZDUSSCGKSA-N 374.382 -0.758 30 20 FBED N#CCn1cc(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)cn1 746411544 JZUJCTDCUAVBCC-UHFFFAOYSA-N 360.418 -0.084 30 20 FBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(O)CCOC1 755219896 WFMJSTZVSZLXMM-HNNXBMFYSA-N 353.400 -0.617 30 20 FBED Cn1cnn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 757594309 MOEGXYPOGXSHJP-QWRGUYRKSA-N 350.379 -0.543 30 20 FBED CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NCCC#N)CC1=O 785651185 GMRSUTLXEAXDQI-KBPBESRZSA-N 350.419 -0.108 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 825967917 NBGRPNDWTANMHF-NVXWUHKLSA-N 359.430 -0.818 30 20 FBED N#Cc1cccc([C@H]2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CCO2)c1 826386929 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C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788671579 KIOMZTDUJNRPPY-YDHLFZDLSA-N 374.397 -0.674 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1F 1793667277 VBGDXQNRGPDYSE-UGRXCJJRSA-N 365.405 -0.208 30 20 FBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)n1cnnn1 1801432998 QRURIIZUWZPQOY-FVCCEPFGSA-N 361.406 -0.627 30 20 FBED CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835199557 OCLVRAYZTCWDCJ-KRWDZBQOSA-N 352.435 -0.255 30 20 FBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1835354950 LVNGFQMCCRRUOP-GOSISDBHSA-N 374.397 -0.306 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837958249 MJCNXXCEXPCNTL-GOSISDBHSA-N 359.382 -0.207 30 20 FBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1840466536 LXBHAVGZZRRZOC-SFHVURJKSA-N 362.430 -0.005 30 20 FBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1841584503 YHIVZSULYAYFMK-WDEREUQCSA-N 363.505 -0.164 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC(C)C)CC1 43608084 KSHCSUQIZMMADM-LBPRGKRZSA-N 353.423 -0.945 30 20 FBED C#Cc1cccc(NC(=O)CNC(=O)NCCN2CCCS2(=O)=O)c1 61038229 SZOMKBABVMIJPE-UHFFFAOYSA-N 364.427 -0.059 30 20 FBED C[C@H]1CN(C(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)CCO1 148760896 SCFPQDPDLIRLQD-NSHDSACASA-N 365.434 -0.480 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3C(=O)NCC[C@@H]3C)CC2)o1 193612882 ROTJYXSTRQEGFJ-NHYWBVRUSA-N 360.418 -0.383 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)c2c(CC)c(CC)n[nH]c2=O)CC1 268096134 CWNYZQGTVMLPGT-UHFFFAOYSA-N 373.457 -0.208 30 20 FBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCC#N)CC2 273138535 SLZQTQWTRLVBNI-UHFFFAOYSA-N 350.400 -0.096 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1=O 281207241 CMZOZUJDBQDBJE-CYBMUJFWSA-N 371.397 -0.509 30 20 FBED C#CCNc1nc(N[C@@H](CO)CCOC)nc(N[C@@H](CO)CCOC)n1 286143490 ACWVCRHSRGYQDQ-CHWSQXEVSA-N 368.438 -0.465 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CCOC)C2)C1=O 286646072 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COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 416327677 YEFNDOVOSHYOIV-AWEZNQCLSA-N 372.381 -0.432 30 20 FBED CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 423556873 ZJYPTHWNRDYINJ-UONOGXRCSA-N 371.445 -0.404 30 20 FBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3O)n2)cc1 427293588 CTXFZTSDPKXVDQ-GJZGRUSLSA-N 368.397 0.556 30 20 FBED Cn1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O 444500520 XYKLOMCSCFICIG-UHFFFAOYSA-N 366.381 -0.061 30 20 FBED N#CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 461918473 LTXFONBPIXKEHQ-UHFFFAOYSA-N 354.388 -0.095 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(N)=O)C1 482156240 XMXVQAPHGBOYKO-PWSUYJOCSA-N 365.415 -0.506 30 20 FBED COC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC 484331566 LTUUCZICXGOWTG-ZDUSSCGKSA-N 354.384 -0.223 30 20 FBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](N)[C@H]4C3)CC2)c1 519596814 XFZGNOPRNZSYCF-JYJNAYRXSA-N 368.441 -0.202 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)C1=O 521212444 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N#Cc1ncn(CCNC(=O)NCCNS(=O)(=O)c2ccccc2)n1 574662603 YMJHTDBZFKKGPS-UHFFFAOYSA-N 363.403 -0.573 30 20 FBED COCC[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 577030778 ATEYDFUNVFAGCU-OAHLLOKOSA-N 355.416 -0.260 30 20 FBED N#Cc1cc(O)cc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 589181836 GWHHLEGEWWBSIK-UHFFFAOYSA-N 355.354 0.571 30 20 FBED COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)O 593274558 TXIZDWYXXMGPEO-NSHDSACASA-N 357.392 -0.831 30 20 FBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 593393289 UGCIZCFVGNDUER-CQSZACIVSA-N 371.376 -0.075 30 20 FBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@@H]1C 594637466 WACHDMPRKKNNLH-ZDUSSCGKSA-N 367.493 -0.008 30 20 FBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 608780687 ZIAFPKMYVLEKQA-UHFFFAOYSA-N 359.433 -0.934 30 20 FBED N#CCc1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 619471630 TZCHXPVYFOOOPP-GFCCVEGCSA-N 358.397 -0.375 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1 744828056 HXCVYPILNKTIOH-DGCLKSJQSA-N 363.370 -0.279 30 20 FBED C#CCN1CCN(C(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CC1 748818819 ZNVZMYCEYUXEBF-UHFFFAOYSA-N 362.455 -0.526 30 20 FBED CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769203393 CAEFUJSLPUULBM-UHFFFAOYSA-N 368.371 -0.775 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779584462 VOPBRCYCEFMBNN-HOTGVXAUSA-N 369.487 -0.263 30 20 FBED C#CCOc1ccc(NC(=O)C(=O)NCCn2cc(C(=O)OC)nn2)cc1 793106863 VGCYCRXQOADIPS-UHFFFAOYSA-N 371.353 -0.168 30 20 FBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 799285763 AJRJDLBOSWHDOT-HIFRSBDPSA-N 371.393 -0.279 30 20 FBED C[C@H]1CN(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 800097370 UXEVYDVOODCJLT-LBPRGKRZSA-N 367.427 -0.011 30 20 FBED CN1CCN(C(=O)NCC(=O)NCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 807552145 OZTYKPILNNRLCT-LBPRGKRZSA-N 368.438 -0.524 30 20 FBED Cn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 815562161 YQGODKUPKGSVIX-UWVGGRQHSA-N 363.378 -0.371 30 20 FBED CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820364535 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C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 954405073 LTUOFYWSNCFBOY-AGIUHOORSA-N 364.402 -0.765 30 20 FBED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@H]32)[nH]1 960266756 LUAIBJDUZLRKFB-BYCMXARLSA-N 371.397 -0.536 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@H]32)nc1 960705236 YAHZPPXUSIEGCF-GVDBMIGSSA-N 371.393 -0.470 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]n1 960771649 FJRPZPFNNOFCRG-ZOBORPQBSA-N 361.402 -0.162 30 20 FBED CCn1cc(CC(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 962133973 NWIAFVYBLWNRGH-CABCVRRESA-N 356.386 -0.353 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc4nn[nH]c4n3)C[C@@H]2O)[nH]1 962347323 PUNYHGWHYPCZFC-OLZOCXBDSA-N 366.341 -0.832 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3nccn3CC)C2)cn1 962571991 JOPBIGWJBQEVLW-CABCVRRESA-N 353.382 -0.105 30 20 FBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2O)cc1 963288208 WBGQWDJYEHAROX-ZBFHGGJFSA-N 369.381 -0.558 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O 964488961 AIPHYIJSZPJBRN-IVSAIRAKSA-N 360.414 -0.312 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)Cn3cncn3)C2)C1 965494698 JEXPPEVLIHVHJW-KGLIPLIRSA-N 361.402 -0.691 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 967695302 CMCVXRXVLAGLIY-OLZOCXBDSA-N 351.403 -0.717 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2O)CC1 970333433 CYLSFGCIVPQNFT-CABCVRRESA-N 364.446 -0.164 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1O 970707888 YDGDUVLZKVTPOR-OJLVUWQFSA-N 362.430 -0.152 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 986597972 IYZOKGZDCFGBMQ-MJBXVCDLSA-N 360.414 -0.008 30 20 FBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@@H]1C 989160106 GCIZOTIFFOVZFZ-XBFCOCLRSA-N 371.397 -0.506 30 20 FBED C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 992899278 PPHKBVPUCBDJPV-XTDOFWJNSA-N 359.426 -0.260 30 20 FBED 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362.386 -0.535 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2O)nn1 1023768755 AAYNYTLYHINPAQ-TZMCWYRMSA-N 360.349 -0.387 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1O 1023942670 JLTUDCMKCVUNTB-SFTQSGBHSA-N 364.402 -0.294 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 1023978551 AYCCNIFMABZZBE-FBIMIBRVSA-N 355.372 -0.856 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 1024150207 JPMXNBVMAKHWNY-KCPJHIHWSA-N 354.370 -0.272 30 20 FBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1024298201 PNTFZWSMSSKIFF-VXGBXAGGSA-N 358.402 -0.054 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)c(=O)c3)C2)cc1 1024525892 HPMMUSVQFYADRZ-IAGOWNOFSA-N 365.389 -0.018 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)c[nH]1 1024542712 ZMZTXLHJWIUALG-ZIAGYGMSSA-N 354.370 -0.287 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnnn3CC)C[C@H]2O)cn1 1024927803 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C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 1110782643 CVNVMFDEHLJZHM-YJNKXOJESA-N 361.446 -0.752 30 20 FBED CC(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111419874 TWJLWUOUDNRQBQ-UPJWGTAASA-N 356.448 -0.829 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)nc2OC)C1 1111829616 PCGGTCCSNMJKTE-UGSOOPFHSA-N 359.430 -0.238 30 20 FBED CCC[C@H](C(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1)S(N)(=O)=O 1112138112 UKKDUXOCUTVPNQ-OPRDCNLKSA-N 356.370 -0.054 30 20 FBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)CNC(=O)CCC)C2 1112276746 BCKMJEXWOFJRBY-KXBFYZLASA-N 362.474 -0.130 30 20 FBED CCOC1CC(CNC(=O)NCC(=O)NCC#N)(N2CCOCC2)C1 1117288138 FRDWHZYWEJJLAZ-UHFFFAOYSA-N 353.423 -0.805 30 20 FBED C#C[C@@H](NC(=O)C(=O)NCc1nnnn1-c1ccccc1)[C@H]1CCCO1 1118558843 GAMNOVJXRHFCPB-ZIAGYGMSSA-N 354.370 -0.425 30 20 FBED C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(C#N)c1 1119548512 YKLZYVGJGONEOC-AWEZNQCLSA-N 371.441 -0.032 30 20 FBED N#C[C@H](C(=O)CCNC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)CC1 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COCC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 1198786338 ZQQDSHFQPRFBJZ-HZPDHXFCSA-N 363.414 -0.563 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](C)C1 1206944150 VYOVAQXDKZVAMH-TZMCWYRMSA-N 362.434 -0.589 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn3cccnc23)[C@H](C)C1 1208272581 FODXKQVOJTWTHE-UMVBOHGHSA-N 354.414 -0.083 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H](C)C1 1208324686 VVPZOIXDEZPUHI-UPJWGTAASA-N 365.434 -0.945 30 20 FBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H](OC)C1 1212350729 CEBPZEHYOFCMFO-UKRRQHHQSA-N 361.446 -0.049 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 1214475365 CBTWGIVAUWLLEZ-MGPQQGTHSA-N 357.476 -0.757 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C2)c1 1215505749 NXIKWSQTHLLHGE-IUODEOHRSA-N 350.444 -0.338 30 20 FBED C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 1217560595 JPEMZIHERAPNDE-UONOGXRCSA-N 352.435 -0.802 30 20 FBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3nnnn3C(C)C)C[C@@H]21 1217869521 YGGHJFZXISKGSM-QLFBSQMISA-N 362.434 -0.296 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C(F)F)n1 1217988756 XTVKJYLNLJZCGT-NWDGAFQWSA-N 368.344 -0.557 30 20 FBED C=C(C)[C@@H](CC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21)OCC 1218032502 NISVMESYFUNVDU-RRFJBIMHSA-N 364.450 -0.007 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@@H]1CCCCO1 1218715103 ACGUHFUWPGILIQ-HRCADAONSA-N 364.446 -0.113 30 20 FBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCc1ncnn1C 1218887309 PEPKHNRBAUCUGB-LSDHHAIUSA-N 365.434 -0.554 30 20 FBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1O 1219321777 DJJPTNIOEMYTNO-IMJJTQAJSA-N 369.462 -0.576 30 20 FBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCCc2ccsc2)C[C@@H]1O 1219381502 UMJWRDSOVZOLGR-BNOWGMLFSA-N 350.444 -0.272 30 20 FBED CC(C)N1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219796499 DKFPDBLWWRYTLK-KFWWJZLASA-N 351.451 -0.950 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O 1219821414 LNSVFFNGFHGHST-PMPSAXMXSA-N 350.463 -0.888 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 1219840952 ABRFUUODDVCQMN-KGLIPLIRSA-N 362.434 -0.734 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1219842128 HSCOPAQPTCJVGM-BJJXKVORSA-N 362.430 -0.841 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C3(COCC)CC3)C2)C1=O 1219904597 IPTJWMQGDRREPG-KFWWJZLASA-N 351.447 -0.249 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=O)N(CC)CCC#N)C[C@@H]2O)c1 1220314811 IGMGOMYEYDCNGD-SJORKVTESA-N 369.425 -0.400 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 1220669961 ZCYLURMEXZDRRK-CVEARBPZSA-N 359.401 -0.232 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ncccc2OCC)C1 1221200738 VJIBXOJDRGYCQT-MCIONIFRSA-N 360.414 -0.607 30 20 FBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 1221483163 OKEJJIUIZHZPJI-BZUAXINKSA-N 350.463 -0.458 30 20 FBED CC(=O)Nc1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)nc1 1221599850 FIRYRHHHLQEXFR-CZUORRHYSA-N 370.413 -0.174 30 20 FBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1221675771 AXVMPBLCGUIQQV-MGPQQGTHSA-N 355.460 -0.744 30 20 FBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)[C@@H]2C1 1222052992 DNVXSLWRDAGTDQ-ZYHUDNBSSA-N 361.427 -0.367 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC[C@@H](O)Cn1cccn1 1225795754 LDGJTUUOBCUYFC-BZUAXINKSA-N 361.446 -0.600 30 20 FBED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](C#N)C3)cn2)CCO1 1257019344 DXVGSIRCJTXNJP-DZGCQCFKSA-N 373.413 -0.326 30 20 FBED Cc1c(CCC(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2O)cnn1C 1289638233 LWDVUBDQOILPJV-CVEARBPZSA-N 370.413 -0.137 30 20 FBED COCC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](C)C#N 1290313676 NIFDMYIXCRGIMY-RDBSUJKOSA-N 352.435 -0.006 30 20 FBED CN(C)S(=O)(=O)C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(F)(F)F 1307115797 DLEGZJZBUOGKBD-SSDOTTSWSA-N 369.325 -0.821 30 20 FBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 1320396750 CXKLHWVWNLEYNL-STQMWFEESA-N 353.400 -0.554 30 20 FBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)cc1 1320589595 QZNWBRLEFLPISN-ZDUSSCGKSA-N 362.386 -0.453 30 20 FBED CS(=O)(=O)NC1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCCCC1 1321641748 BVCXOBKHNZDTGA-LBPRGKRZSA-N 372.447 -0.894 30 20 FBED Cn1nnc(CNC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 1322939189 DATTZDJOXUJTKZ-UHFFFAOYSA-N 368.401 -0.563 30 20 FBED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cn1cccn1 1323333522 ROJRSCAZFJTSQY-DKASORFFSA-N 374.401 -0.722 30 20 FBED N#Cc1ccsc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1324239918 MRKNIEXMVJXDBL-JTQLQIEISA-N 357.413 -0.434 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)nn1 1325948008 QTYWXKKOOLPNLS-GFCCVEGCSA-N 371.463 -0.248 30 20 FBED N#CC1CCC(CNC(=O)C(=O)N2CCC(OCC(N)=O)CC2)CC1 1326156516 BCNFSOAELABKBK-UHFFFAOYSA-N 350.419 -0.075 30 20 FBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 1331378349 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-0.821 30 20 FBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)CCOC 275744671 CIRPTQURDVBMKV-UHFFFAOYSA-N 365.386 -0.011 30 20 FBED Cc1cnn(C)c1/C=c1\s/c(=C(\C#N)C(=O)[C@@H]2CCCOC2)n(C)c1=O 285026272 FAOSLOKEAPZHKO-UPFMSMTOSA-N 372.450 -0.013 30 20 FBED C[C@H]1CN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)S1(=O)=O 329605370 MBFWYEGEGSWQKW-GRYCIOLGSA-N 367.493 -0.168 30 20 FBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H](O)C1 349525651 PAARBEZXOKXCSN-RWMBFGLXSA-N 367.493 -0.514 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 368852324 DOPWLMZYVQBBIW-MNOVXSKESA-N 350.379 -0.288 30 20 FBED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 371622032 RXSGRDRVOFUDIW-LLVKDONJSA-N 353.404 -0.053 30 20 FBED Cc1cc(S(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)ccc1C#N 424393394 RNWKBJQRDPXCFE-NSHDSACASA-N 363.355 -0.179 30 20 FBED CC(=O)N[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(N)=O 468704977 FNMRLAUNKSNFNB-INIZCTEOSA-N 359.430 -0.171 30 20 FBED COCCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(CC#N)C2)cc1 473375366 VUJDHZYHHYCUKM-UHFFFAOYSA-N 353.400 -0.288 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](CO)OC[C@@H]3C)CC2)o1 485225746 BYAOKCRFJZXZTE-GXTWGEPZSA-N 363.418 -0.415 30 20 FBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[C@H](C(N)=O)O3)C2=O)cc1 508749582 RVQNEMOXBPIQBC-RRFJBIMHSA-N 356.382 -0.192 30 20 FBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 518056502 WRALFIAVLHTUCF-ZFWWWQNUSA-N 367.427 -0.306 30 20 FBED C=CCNC(=O)CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 539695095 XMFFMVGHBOOELZ-UHFFFAOYSA-N 365.455 -0.051 30 20 FBED N#CCNC(=O)CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 567746575 BFIRMJCRKMOUBT-UHFFFAOYSA-N 371.440 -0.115 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)CC[C@H]3C2)c1 580746026 MSNZYVYZJNYZLW-ZDUSSCGKSA-N 362.411 -0.330 30 20 FBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 591582671 RAXSAEFWEMDDBN-UHFFFAOYSA-N 372.429 -0.106 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 593813470 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C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C 848962920 CJMOPDABMQLTCJ-JTQLQIEISA-N 350.422 -0.159 30 20 FBED Cn1cc(S(=O)(=O)NN=C2CCCc3scnc32)c(=O)n(C)c1=O 863103511 BKDSRDMXNTUREO-UHFFFAOYSA-N 369.428 -0.441 30 20 FBED CC(C)NC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916944985 FXUDMHSVUPLZHW-SNVBAGLBSA-N 360.374 -0.943 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2OC)cn1 944099961 MZMCESNSPIULNJ-BZUAXINKSA-N 370.409 -0.313 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCOCC2=O)C1 954550023 GOVVTTJKGZFIFI-CABCVRRESA-N 365.430 -0.504 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@@H]2O)[nH]1 962344147 WKRGIDTWYDYHAX-HONMWMINSA-N 369.385 -0.958 30 20 FBED Cc1nc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(=O)[nH]c1C 962346590 DAJTVHMBSZWFAM-OLZOCXBDSA-N 370.369 -0.798 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCn4cncc4C3)C[C@@H]2O)[nH]1 962347311 PMARKOPGVXFPAI-LYRGGWFBSA-N 368.397 -0.353 30 20 FBED 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COCCN(CCC#N)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)O 565056508 QKBHSUCRKKWIRU-NSHDSACASA-N 351.425 -0.049 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CC(N)=O)C2)c1 573413420 XZOLGEIZSDYYJZ-CYBMUJFWSA-N 364.427 -0.049 30 20 FBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCO[C@@H](CC(N)=O)C1 599772654 BZPAAOVDIZHAMQ-ZDUSSCGKSA-N 369.385 0.556 30 20 FBED CN(CC(=O)N1CCN(CCO)CC1)S(=O)(=O)c1ccc(C#N)cc1 603444743 ALCXKNGDKYXSMT-UHFFFAOYSA-N 366.443 -0.685 30 20 FBED COC(=O)CN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 609992535 LNZZPGLURFGVLC-NSHDSACASA-N 369.399 -0.113 30 20 FBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 611874599 LAARELKNVKVPFT-BXKDBHETSA-N 352.416 -0.044 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1 728530450 FULQHVCPPRAQBF-CYBMUJFWSA-N 352.435 -0.207 30 20 FBED CN(C1CCOCC1)S(=O)(=O)N(CCC#N)CCN1CCOCC1 739957240 JKKFZUMORVANAP-UHFFFAOYSA-N 360.480 -0.110 30 20 FBED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@H]1CCCO1 773548264 LXDNVSWCZLCZBY-ZIAGYGMSSA-N 350.419 -0.454 30 20 FBED COCc1noc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 777042660 RVDAJRLFSSIIHM-UHFFFAOYSA-N 366.355 -0.002 30 20 FBED C[C@@H](C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1)n1cnc(C#N)n1 798811643 IWUQKOVZVGUSJZ-VIFPVBQESA-N 373.358 -0.808 30 20 FBED C#CC[C@H](CO)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 816672978 ONFAVLJNAVGLCG-CYBMUJFWSA-N 369.443 -0.621 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 819702272 WIAHBICNPFGJIB-UHFFFAOYSA-N 367.413 -0.697 30 20 FBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 824929912 ZNDSWKQHDNALPE-AWEZNQCLSA-N 368.401 -0.063 30 20 FBED CCn1cc(C#N)c(=O)n(CC(=O)c2cccc(-c3nn[nH]n3)c2)c1=O 825799889 VUPASKWQBAQXBW-UHFFFAOYSA-N 351.326 -0.035 30 20 FBED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ncnn2C)CC1 842528640 XHXIKPOHKLUJKF-UHFFFAOYSA-N 364.435 -0.408 30 20 FBED CCOC(Cn1ncc(C(=O)N[C@H]2CCCN(O)C2=O)c1N)OCC 848132372 KTJAZNVEVNAYTL-NSHDSACASA-N 355.395 -0.026 30 20 FBED C#CC[C@H](CCOC)NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 859015270 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C=C(C)CCN1CCN(C(=O)c2cnn(C)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094668956 YOQDNSOFWJVABR-UONOGXRCSA-N 353.448 -0.295 30 20 FBED C=C(C)CN1CCN(C(=O)[C@@H]2CCCC(=O)N2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094677554 JEJOHJSVWYRDDZ-SOUVJXGZSA-N 369.487 -0.117 30 20 FBED Cc1cc(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(C#N)cn1 1096299300 BPTZCXTVJSVDKX-CABCVRRESA-N 356.430 -0.379 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 1101247309 CLSWWJDUZGIYHW-QEORTHHSSA-N 369.487 -0.498 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CCCc4nn[nH]c43)C[C@]2(C)C1 1101340345 JHRWNCALLDLANX-LPMFXHHGSA-N 370.457 -0.246 30 20 FBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)CS(=O)(=O)CCC)C[C@]2(C)C1 1101465766 XZNKFPGNGIPEPD-PBHICJAKSA-N 371.503 -0.106 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccnc2C(N)=O)C1 1103745584 JDRFWZMGSNQGII-ZIAGYGMSSA-N 371.441 -0.382 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCN[C@@H](C)C(=O)NCC=C)C1 1104099144 MZFBAUKCWYFRIP-OWCLPIDISA-N 362.474 -0.109 30 20 FBED C[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1CNCC(=O)NCC#N 1106153631 LSHSEFZRORTPEB-VXGBXAGGSA-N 362.438 -0.634 30 20 FBED C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N3C)CCC[C@@H]12 1107500918 ZEVXXFJFSNTBAV-QMTMVMCOSA-N 360.458 -0.283 30 20 FBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCN(C)C 1109980762 ZJSVKTSVORCLBZ-FZKCQIBNSA-N 352.479 -0.023 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2nc(O)[nH]c2n1 1110947395 LJVXYMBCLSQHGA-HONMWMINSA-N 368.397 -0.252 30 20 FBED COCCO[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111890174 RPLBDXACLLXWEK-KEYYUXOJSA-N 352.435 -0.352 30 20 FBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C(F)(F)F 1112126166 BMPWHNSCZADTPW-IQJOONFLSA-N 358.324 -0.465 30 20 FBED CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1116268471 TXDZIZZBEAYLMO-HUUCEWRRSA-N 356.492 -0.201 30 20 FBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CCO1 1117033013 XUSYMTGLEPWKPJ-OAHLLOKOSA-N 358.398 -0.110 30 20 FBED Cc1nc([C@H]2COCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)no1 1117326479 JHGRQMUULNXJOQ-CYBMUJFWSA-N 362.390 -0.618 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1)[C@@H]1CCCO1 1117582620 UQFVQTKBUWUSEX-KBPBESRZSA-N 371.459 -0.834 30 20 FBED C=CCN(C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@@H](C)COC 1118513433 SNYUFRRTBRMNQY-DZGCQCFKSA-N 364.450 -0.050 30 20 FBED C=CCn1c(C[C@H](C)SC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1121553287 MVVCLXNOKABISI-NWDGAFQWSA-N 364.475 -0.095 30 20 FBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1n1ccnn1 1128825421 QGGICHZCZCYXKD-CFVMTHIKSA-N 359.434 -0.352 30 20 FBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2ccnn2)C1 1128935147 QLQMCIRBGLAXGC-CABCVRRESA-N 360.422 -0.496 30 20 FBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1n1ccnn1 1128938837 BHDWLBURDGPBEC-CVEARBPZSA-N 367.413 -0.172 30 20 FBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1129242930 BLKPQASHOQCDAY-KEYYUXOJSA-N 362.434 -0.509 30 20 FBED C=CCOCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H]2CCNC2=O)C1 1129733626 ZMPVMRRRAXMKGF-ZNMIVQPWSA-N 362.434 -0.509 30 20 FBED C=CCNC(=O)[C@@H](C)NC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC)n1 1130175603 QOHSYPFASMIDTQ-AGIUHOORSA-N 364.450 -0.016 30 20 FBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCn2ccnn2)n1 1130204749 IZEUNMAFRLWKTE-RYUDHWBXSA-N 359.394 -0.912 30 20 FBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1c1cncn1C 1130975929 YWMYXCOFUJDNTR-BFHYXJOUSA-N 362.434 -0.989 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134129921 ZKRSBZHEWBPBKK-KWCYVHTRSA-N 362.434 -0.370 30 20 FBED CCO[C@@H]1C[C@@](CO)(NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1138271029 CXKWIODTVAUBFU-BZNIZROVSA-N 350.375 -0.497 30 20 FBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCc3sccc3C2)C[C@H]1O 1191882509 SWXIJTOYTUIRRM-IACUBPJLSA-N 362.455 -0.046 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cncc3nc[nH]c23)C1 1193110985 LKQITOWMNHDRTF-ZLKJLUDKSA-N 358.402 -0.577 30 20 FBED COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O 1193159166 XYBXYXHEYUWFKF-DJIMGWMZSA-N 359.426 -0.650 30 20 FBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1197658622 PFWSPFQSXNLAIA-BFHYXJOUSA-N 351.403 -0.571 30 20 FBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CCn3cc(C)cn3)C2)C1=O 1199057454 JYHKIOLKSZHDGU-OWCLPIDISA-N 361.446 -0.470 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCc2cscn2)C1 1199377940 RKQQFHRQWMSWHS-MRVWCRGKSA-N 350.444 -0.625 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](C)C1 1207425962 UJQJVSHPEAUEAR-TYNCELHUSA-N 359.430 -0.018 30 20 FBED C[C@@H](COCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N1CCCC1 1208708360 WAYAOIOFQWSTIH-OWCLPIDISA-N 365.478 -0.436 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1NC(=O)c2ccccc21 1209649112 KNPSWHVPFOICHQ-UHOFOFEASA-N 369.425 -0.063 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 1210684267 QBZAGSRPIKWXQO-JHJVBQTASA-N 360.480 -0.995 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](C)C1 1211401343 SMFPKCGBELRBQV-CKEIUWERSA-N 370.453 -0.098 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CCCC)NC(N)=O)[C@H](C)C1 1211441294 OHVMMYPSXIZGIV-HZSPNIEDSA-N 351.451 -0.601 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](C)C1 1211500155 YGEBXHXUMJGFOO-TYNCELHUSA-N 357.414 -0.632 30 20 FBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccnn1CC(F)F 1212279206 GPOQBUHZTDDZIZ-ZYHUDNBSSA-N 370.360 -0.783 30 20 FBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncc(Cl)s1 1213160298 JFVDRCZVKGKUFS-RKDXNWHRSA-N 357.823 -0.135 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 1213618197 PUGXXJDZXKRMFU-ZIAGYGMSSA-N 362.434 -0.470 30 20 FBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC[C@H](O)CN1C(=O)CCC1=O 1214591082 LPXHQSJHHYYDCW-QLFBSQMISA-N 363.458 -0.018 30 20 FBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@H]2C)C1=O 1214775355 CFHIRXKBKYBBQQ-QLFBSQMISA-N 366.462 -0.638 30 20 FBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C 1216780564 OWSGBXMPEAQFGJ-MGPQQGTHSA-N 359.492 -0.062 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C 1217010398 OMGKGVBBEYTYTG-UKRRQHHQSA-N 367.413 -0.538 30 20 FBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(CC)CCO1 1219042941 UXHHINAJWQNCER-BBWFWOEESA-N 353.463 -0.179 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1 1219420294 OKXBNZMIBQFLCF-RVMXOQNASA-N 350.419 -0.794 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCO2)C1 1219438083 JPSCGGHDXHDZKC-XHSDSOJGSA-N 366.462 -0.131 30 20 FBED CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O 1219613496 IOZJKXSURPIWKB-CABCVRRESA-N 366.443 -0.841 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnnc3ccccc23)C1 1220422365 XRBBVVOLYSRAHP-JLZZUVOBSA-N 367.409 -0.457 30 20 FBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC(=O)NCC)C[C@@H]1O 1220434666 VWQGWQKSZJDLEF-UPJWGTAASA-N 354.451 -0.016 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 1220528313 ICQMMUAZGJDCHR-AEFFLSMTSA-N 368.437 -0.140 30 20 FBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 1220988933 CAPBKXNHLVHQDJ-CVEARBPZSA-N 355.398 -0.308 30 20 FBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 1224145546 YTCFHYHGNWRYSB-RISCZKNCSA-N 358.402 -0.710 30 20 FBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1230463169 XTAAEFZBUBNXIF-HZSPNIEDSA-N 357.476 -0.308 30 20 FBED C#CCOCCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1323710344 HQNHNIVWQMUFGN-ZDUSSCGKSA-N 359.448 -0.927 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cccc(N(C)C)n2)CC1 1325307032 AGQUBKIKJDOPOL-UHFFFAOYSA-N 371.441 -0.248 30 20 FBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CCO1 1326868292 BZVFOUPYIFEZHM-HNNXBMFYSA-N 374.372 -0.139 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CO 1329801572 MDMZQJIHVSLAGN-OAHLLOKOSA-N 366.439 -0.178 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 1329812984 JIXHSULJPHOZGS-ZIAGYGMSSA-N 357.476 -0.354 30 20 FBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1331073312 ZXORYWDVXSHRHF-JSGCOSHPSA-N 371.397 -0.378 30 20 FBED C#CCSCCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 1342539311 DLSLQLAXOSUPDU-UHFFFAOYSA-N 351.407 -0.253 30 20 FBED C=CCN(C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H](C)COC 1347417142 XLTPMUJUZLYFQC-LBPRGKRZSA-N 361.464 -0.424 30 20 FBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)c1 1352067950 XZNOWJFGQIRKMU-CQSZACIVSA-N 371.390 -0.098 30 20 FBED C#CCN(C(=O)CCn1cnccc1=O)C1CCN(Cc2cnn[nH]2)CC1 1574895515 VVELYBOVIWSSTB-UHFFFAOYSA-N 369.429 -0.122 30 20 FBED COCC#CCN[C@@]1(CO)CCCN(C(=O)CCOCc2cnn[nH]2)C1 1576952020 DKVOTBGGTMDKGF-KRWDZBQOSA-N 365.434 -0.696 30 20 FBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1577909331 MRFCOKXXPPDWMH-LLVKDONJSA-N 373.421 -0.335 30 20 FBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353531 WCQLDRNDUVMPDE-GHMZBOCLSA-N 358.406 -0.617 30 20 FBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1588434440 JZWUDQVZKMCDMZ-BWAOXVRWSA-N 372.443 -0.130 30 20 FBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C 1588659581 OZWPCBGRCQWCKZ-ZYHUDNBSSA-N 358.406 -0.310 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 1588724140 WHNHEBIIUCQKGA-WZRBSPASSA-N 359.390 -0.258 30 20 FBED C#CCN=c1nc(N(C)[C@H](C)C(=O)O)[nH]c(N(C)[C@H](C)C(=O)OC)n1 1602725846 IUDNYGMIWHHLSI-NXEZZACHSA-N 350.379 -0.754 30 20 FBED CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1766225615 LRDWECAIRZSQRZ-DOMZBBRYSA-N 371.463 -0.040 30 20 FBED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)c1 1777099309 PBBYHDQNFGYQEK-LLVKDONJSA-N 361.401 -0.370 30 20 FBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781041624 CKLICSVZJRIISO-GDZNZVCISA-N 350.419 -0.911 30 20 FBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1783567342 XCIUYOBMJQOKEE-KRWDZBQOSA-N 361.329 -0.248 30 20 FBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1783914912 GAYLXIPSNCNSGG-GOSISDBHSA-N 350.463 -0.360 30 20 FBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1793251509 CCQMWIBTEARWEG-MPLKPFFPSA-N 357.476 -0.191 30 20 FBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2 1793342483 QCUUZQIHNNNMDA-HGTKMLMNSA-N 360.414 -0.338 30 20 FBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793710742 DNAUZPLXLKELNQ-IVWMJMPLSA-N 368.397 -0.065 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800982096 WPRGOQNDPHHKSM-QEEJAVTCSA-N 367.471 -0.247 30 20 FBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1801000164 OQEGVYQQBVBCMD-JLVBRIDZSA-N 350.463 -0.601 30 20 FBED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)CC1 1808263303 KQGAGWQSWFDKOI-ILXRZTDVSA-N 356.430 -0.323 30 20 FBED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1834243706 QRYZVVJPJAUAPP-GOSISDBHSA-N 373.413 -0.206 30 20 FBED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)o1 1834758585 PUPKQPNCZGQQFH-MRXNPFEDSA-N 363.374 -0.709 30 20 FBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1834763372 DRODCCINUUYGHQ-MRXNPFEDSA-N 364.358 -0.849 30 20 FBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1839809016 NVIATNSXQKFJKA-BEFAXECRSA-N 372.425 -0.028 30 20 FBED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841627490 AEVGAIHYLVBOIK-LBPRGKRZSA-N 371.459 -0.313 30 20 FBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847828075 LHJQRGHABPAQCA-AYDFFVQHSA-N 371.503 -0.207 30 20 FBED Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)c(C#N)c(=O)n(C)c1=O 75605715 OCDWKVBEXYDFEB-UHFFFAOYSA-N 374.445 -0.910 30 20 FBED CN1CCN(S(=O)(=O)N2CCN(Cc3cc(C#N)n(C)c3)CC2)CC1 191247918 SIFQCHXRYZGYLB-UHFFFAOYSA-N 366.491 -0.493 30 20 FBED C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 275740947 QVKQGAHVELNMHR-SFHVURJKSA-N 367.446 -0.255 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CCC2)[C@H](C)C(=O)OC)C1=O 276661150 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489421579 HJCOUCMJHMJHET-DVOMOZLQSA-N 372.491 -0.336 30 20 FBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 509956431 HVGRFYHXTAJVNQ-CQSZACIVSA-N 367.479 -0.333 30 20 FBED N#CCCCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 553253069 SKWVBUUYJWRMQK-XUXIUFHCSA-N 358.398 -0.280 30 20 FBED CCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 582192087 XXEJCPWVDYYOOE-UHFFFAOYSA-N 361.445 -0.119 30 20 FBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1 592301065 CRCLRROSKCNKAM-QGZVFWFLSA-N 354.370 0.142 30 20 FBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)Cc1ccc(F)cc1C#N 594820971 FKKKTXRTJGMKIB-CHWSQXEVSA-N 362.404 -0.071 30 20 FBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 595175913 IEDMOHMVPHILAB-SWLSCSKDSA-N 368.397 0.508 30 20 FBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CCF)c1 599966806 SVNUZCPHGADICI-UHFFFAOYSA-N 366.397 -0.134 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)C1=O 617735612 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C[C@H](C(=O)NS(=O)(=O)CCCC#N)N1C(=O)NC2(CCCC2)C1=O 776117060 HXJRMHGVTVUZQP-SNVBAGLBSA-N 356.404 -0.011 30 20 FBED C#CCNC(=O)CN1CCCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 776862206 XJTPKYSIEPLGAK-UHFFFAOYSA-N 372.491 -0.901 30 20 FBED C#CCC[C@H](O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 799078670 IZWRTQOCVBLCBW-DZKIICNBSA-N 368.455 -0.087 30 20 FBED Cn1nncc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 810381995 DEGFGYVGHKAZRQ-CYBMUJFWSA-N 367.369 -0.063 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC1(C#N)COC1 811047295 FMGUOAYZZBHWCZ-SNVBAGLBSA-N 367.383 -0.464 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)CC1 831564729 FIJGAFBHMFGBHG-KGLIPLIRSA-N 371.459 -0.422 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 831564730 FIJGAFBHMFGBHG-UONOGXRCSA-N 371.459 -0.422 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 831580075 YFUHCCNTNHQYRL-INIZCTEOSA-N 363.439 -0.008 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)O)C1=O 833376319 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358.442 -0.071 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCn3cccc3)C[C@@H]2O)nn1 963309361 CUEIXIGXSFOMGZ-HIFRSBDPSA-N 358.402 -0.343 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cnccc3C)C2)nn1 968350794 CGBMEMRGNQXDBZ-ZBFHGGJFSA-N 370.413 -0.288 30 20 FBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 969399861 VPMJWIKEHCWWOT-OLZOCXBDSA-N 355.354 -0.095 30 20 FBED Cn1c(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)cccc1=O 970422470 TVOJXAYJKCUDGH-OCCSQVGLSA-N 355.354 -0.800 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CN3CC[C@H](C)C3)C2)nc1 970644320 ZAIGGNCCBWPDCL-XKQJLSEDSA-N 356.426 -0.294 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1O 970711592 IIDFZGTWHDWMQU-OYNZBZHQSA-N 360.414 -0.278 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 972025832 ZJBGDUFQQFXVTG-VNQPRFMTSA-N 356.430 -0.414 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 973321467 ZDPORCDRZRNDJL-POQQGIQPSA-N 371.459 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355.489 -0.241 30 20 FBED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1329181748 DMHNTJPNTJEVRK-AWEZNQCLSA-N 366.487 -0.766 30 20 FBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 1336614027 ZMWNNAHNNANRNO-MRXNPFEDSA-N 372.425 -0.183 30 20 FBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CCC[C@@H](F)C2)CC1 1344877316 BFEYQQDCPOIKEU-OLZOCXBDSA-N 371.442 -0.284 30 20 FBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nc2)c1 1581862787 MVCJHCIJXYKGGO-LLVKDONJSA-N 353.346 -0.336 30 20 FBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1581878070 UPBDJHCSIWEIBO-CWONEXCFSA-N 362.357 -0.136 30 20 FBED N#Cc1ncc(NCCS(=O)(=O)NCC2CCC2)nc1-c1nn[nH]n1 1581883894 AZFCUNIQAQULGL-UHFFFAOYSA-N 363.407 -0.340 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O 1588505668 UNIBRDISOUWWEW-VKJFTORMSA-N 372.429 -0.145 30 20 FBED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 1591053749 YQWYKDGDYFHWPY-LBPRGKRZSA-N 353.346 -0.478 30 20 FBED N#Cc1cn(C2CN(C(=O)[C@H]3CO[C@@H](CCC(=O)O)C3)C2)c(=O)nc1O 1594631693 LFKCNDVJHOJXLQ-SKDRFNHKSA-N 362.342 -0.526 30 20 FBED C#C[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCO1 1602690323 BODUWRALIQCLBO-OLZOCXBDSA-N 362.415 -0.194 30 20 FBED C#CCN(C(=O)CC(N)=O)C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602714380 PMPLJMFRPPDIOG-UHFFFAOYSA-N 368.401 -0.432 30 20 FBED CC(C)CN1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CC1=O 1603816017 HXIJXQMKNGDRST-UHFFFAOYSA-N 364.402 -0.470 30 20 FBED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)oc1C(=O)O 1607566234 QIAFJVYDUPJLLG-VIFPVBQESA-N 354.340 -0.134 30 20 FBED N#Cc1cn(CCNS(=O)(=O)c2cncc(Cl)c2)c(=O)nc1O 1664543889 CLPIBWMTWJSUTN-UHFFFAOYSA-N 355.763 -0.153 30 20 FBED C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1723770416 PWOVVNQICRFARI-NSHDSACASA-N 358.410 -0.176 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCN(CC(=O)NC2CC2)CC1 1752374693 NZPOKZXMGQHWNH-WMZOPIPTSA-N 364.490 -0.020 30 20 FBED C=CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 1753922749 VYLNGHHSYJEBCB-LJISPDSOSA-N 366.462 -0.109 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1N 1756659391 LFECJNJJQAZAAF-OBJOEFQTSA-N 365.434 -0.467 30 20 FBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784537768 MEGCZOZHOSJREO-SWLSCSKDSA-N 353.448 -0.184 30 20 FBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629084 MJZPOWQZOMGKCN-SJKOYZFVSA-N 368.434 -0.942 30 20 FBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792286293 YRRTWWCZFPIXDG-RFGFWPKPSA-N 352.435 -0.153 30 20 FBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1793565706 FIJJKHVLNJOPTF-YIYPIFLZSA-N 356.444 -0.293 30 20 FBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1800778845 IGDIMBWSQBZAIT-ZUWBBHKUSA-N 362.407 -0.461 30 20 FBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800997843 OEHCKHCQQAOPBM-HGKCTWBKSA-N 364.490 -0.210 30 20 FBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808260557 ZPHIHZMINBHIEQ-BSWAZPDLSA-N 373.457 -0.588 30 20 FBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678631 XOFYSESNVTVEBT-LLVKDONJSA-N 370.523 -0.641 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835692297 ZORMOETTXVSXGW-DNVCBOLYSA-N 372.425 -0.028 30 20 FBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1839806166 DATDCTAGVRJFTP-CYBMUJFWSA-N 352.284 -0.024 30 20 FBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061105 CIXGUWYCQWMGNI-KRWDZBQOSA-N 360.370 -0.229 30 20 FBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840174201 ODNNJJUYZWFKTF-GOSISDBHSA-N 361.398 -0.034 30 20 FBED Cn1ncnc1C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919437 FIIZXAVCKYHBIE-UHFFFAOYSA-N 359.434 -0.086 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 7020605 VWHNZILZZBXTGU-UHFFFAOYSA-N 358.358 -0.898 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](CO)[C@H]2CCOC2)cc1 290548574 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C=CCCC[C@@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 419134386 HJQYXUHZICXSPV-CYBMUJFWSA-N 372.491 -0.707 30 20 FBED C=CCSCCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CCN 419149754 LMDLRJYESFTLNH-ZDUSSCGKSA-N 356.492 -0.132 30 20 FBED Cc1ncc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1C#N 424373712 YAIUUNFIAMAUIL-LLVKDONJSA-N 359.385 -0.866 30 20 FBED CCOC(=O)c1c(NC(=O)N2C[C@H](O)[C@H](O)C2)c(C#N)cn1CCOC 434213711 BBAQMARDAKJGSS-TXEJJXNPSA-N 366.374 -0.248 30 20 FBED N#Cc1ccc(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)cc1 440340174 INAVJJGJTCGWFU-UHFFFAOYSA-N 351.432 -0.597 30 20 FBED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(CC#N)CC2)c1 467784773 IJRLPZRPRZYSPI-UHFFFAOYSA-N 352.416 -0.076 30 20 FBED COc1ccc(C#N)cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498980075 QHWAUBMIWOVMPV-CVEARBPZSA-N 365.455 -0.158 30 20 FBED O=C1NC(=O)[C@]2(CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)N1 528486379 OUQVAKLTUXGZTI-LJQANCHMSA-N 366.377 -0.040 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC)c2cccc(C)n2)C1=O 570242757 LFUZVUFDHNZBEU-UHFFFAOYSA-N 374.353 -0.127 30 20 FBED CN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 571575241 AJECNDZOTOMNRO-ZDUSSCGKSA-N 350.400 -0.426 30 20 FBED COC1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)C1 572014930 IVCUGVCIYRUSCT-UHFFFAOYSA-N 359.429 -0.150 30 20 FBED COCCN1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1=O 580219091 RDTCDNZPTRFKRU-OAHLLOKOSA-N 351.451 -0.573 30 20 FBED N#Cc1ccccc1S(=O)(=O)N1CCN(CCN2CCNC2=O)CC1 588955720 KKCZSEQIDVUTCW-UHFFFAOYSA-N 363.443 -0.110 30 20 FBED N#Cc1cc(O)cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 589168617 LIUZRBDHBJIQDF-GFCCVEGCSA-N 351.384 -0.313 30 20 FBED CCS(=O)(=O)C1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 595518974 MEMHEYCERKNGKB-HNNXBMFYSA-N 356.492 -0.202 30 20 FBED C#CCN1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 730284709 ZVODXVJZFDDCFZ-INIZCTEOSA-N 370.457 -0.271 30 20 FBED NC(=O)COCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771040006 IXCRULHEAARTSE-UHFFFAOYSA-N 368.415 -0.877 30 20 FBED CCOC(=O)C(C)(C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 805881395 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C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2cnn(CC)n2)C1 944577230 CDMHDFQPLQHQQE-NFAWXSAZSA-N 363.418 -0.154 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)CCO2)C1 953959338 BWGSFWDZMTZNOV-XHSDSOJGSA-N 351.447 -0.033 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 958858055 DXMOTHWIPCMZSI-XUXIUFHCSA-N 363.418 -0.560 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C[C@@H]2O)c1 962124853 YRNZBONAKZOUHS-LYRGGWFBSA-N 368.397 -0.284 30 20 FBED Cc1nnc(O)c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1C 962392708 WUJSBQLUXXSGDR-OLZOCXBDSA-N 370.369 -0.386 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cnoc3CC)C[C@@H]2O)nn1 963317220 GGOYTLCBPBLBMS-YPMHNXCESA-N 360.374 -0.370 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 968322561 KJHRNTPCRVUHSM-BNOWGMLFSA-N 358.402 -0.462 30 20 FBED COc1ccncc1CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 968404368 OJGRAQFXIUORFJ-CABCVRRESA-N 369.381 -0.166 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@]3(C)CCNC3=O)C2)cc1 970615608 OOQGFKORBVUMJK-VCBZYWHSSA-N 355.394 -0.504 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cn(C)nn4)C[C@H]32)nn1 972221122 CBZMHIAALKOLEG-BXUZGUMPSA-N 356.390 -0.421 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 973360942 GKJPUYKBPBEGOE-YHQUGGNUSA-N 363.414 -0.122 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cc4nc[nH]n4)[C@@H]3C2)CC1 975310519 JSIZZCCDIZAZEK-HZPDHXFCSA-N 370.457 -0.248 30 20 FBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1001775612 CEKIODJDYWWLJD-YDHLFZDLSA-N 366.418 -0.873 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnn(C)n2)cn1 1004738737 FCLAJYHDIGBXQM-MCIONIFRSA-N 351.370 -0.238 30 20 FBED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO3)[nH]1 1007647531 XBPHUDCPSWGAGS-FHSNZYRGSA-N 371.397 -0.549 30 20 FBED Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)n1 1008031452 HPQKIICAYWDVJM-ZBEGNZNMSA-N 354.374 -0.165 30 20 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30 20 FBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)c[nH]1 1004820563 YPVBLAUFOOVDRK-UTUOFQBUSA-N 371.357 -0.549 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nc(CC(=O)NC)no2)C1 1019407768 UXPFSXQGZVVKLL-XQQFMLRXSA-N 363.418 -0.360 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2O)nn1 1023769067 HNVUIPVWHXTBLS-UKRRQHHQSA-N 356.386 -0.217 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1023916065 NPADLRYPAZNLIV-MXYBEHONSA-N 363.418 -0.512 30 20 FBED C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O)c1ccnn1C 1023957669 AQGXHEIHFSOTJD-WDBKCZKBSA-N 356.386 -0.275 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCc4c[nH]nc4C3)C2)c[nH]1 1023995017 LHGCDOSRGUXFPX-AMKSKSKJSA-N 368.397 -0.284 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1024162924 HRNSQGRJJFWTCR-OASPWFOLSA-N 358.354 -0.521 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)c1 1024207641 SAFCAHPPLQYLOU-RBSFLKMASA-N 356.382 -0.967 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(C)n3C)C2)nn1 1025217044 AEAFLRDDDQGYGL-BXUZGUMPSA-N 359.390 -0.879 30 20 FBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)CC1 1025231462 SYOYVFQBOWNPKK-HZPDHXFCSA-N 357.414 -0.877 30 20 FBED Cn1nccc1C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2nccnc2C#N)C1 1039586143 NYCXNKDPFLPZMC-OCCSQVGLSA-N 364.373 -0.149 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039832836 TVSAJPXSJRBMJM-JDFRZJQESA-N 363.418 -0.131 30 20 FBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1040466423 HEMUBBBPBDVHFN-ZRGWGRIASA-N 355.394 -0.518 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040616165 RLABJQFGDCGJMG-DQSYHVOYSA-N 364.442 -0.060 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)nn1 1041172221 IFGTXSYRPFJMDA-TZMCWYRMSA-N 357.374 -0.829 30 20 FBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cn3cc(C4CC4)nn3)C2)n1 1041199360 AWRKECPDDGRCOE-CHWSQXEVSA-N 354.374 -0.817 30 20 FBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1041454638 RFWLEPHETGGTQF-NWANDNLSSA-N 367.413 -0.137 30 20 FBED Cc1nc2c(C(=O)N[C@@H]3CN(c4nccnc4C#N)C[C@H]3O)ccnc2[nH]1 1041461781 IDEPZJQGOPWGMV-CHWSQXEVSA-N 364.369 -0.093 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1043220359 IVGQDHGKQAHVKL-RBZJEDDUSA-N 364.442 -0.060 30 20 FBED C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)C1 1043749956 GUQYVVSZQILLDG-AEGPPILISA-N 370.413 -0.367 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cccc4ncnn34)C2)cn1 1044296077 GUEYVOFHUHDOOJ-YPMHNXCESA-N 350.342 -0.630 30 20 FBED CC1CCN(C(=O)C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)CC1 1044629050 OGWJNIACQNWKCC-KGLIPLIRSA-N 358.402 -0.728 30 20 FBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1044799386 ZPEWPAFCZVCUIZ-OLZOCXBDSA-N 368.353 -0.506 30 20 FBED CCO[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNc1nccnc1C#N 1047917668 YTMGGHVSKGSJHD-ZYHUDNBSSA-N 357.378 -0.539 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1052933278 SXRQDTQWCFPYTC-VXGBXAGGSA-N 355.402 -0.112 30 20 FBED C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CNc1cncc(C#N)n1 1054407713 SMTJUMAWVIBAAV-WZRBSPASSA-N 364.431 -0.454 30 20 FBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1057394241 LNTLIHZCQSXQRY-OWCLPIDISA-N 361.442 -0.335 30 20 FBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCO2)O1 1063671544 YRPMRJZJEMRJIH-BPLDGKMQSA-N 360.418 -0.611 30 20 FBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 1065066838 DFLJXFYHMIRYMI-KFWWJZLASA-N 363.414 -0.939 30 20 FBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1OCCO[C@H]1C)C2 1068868032 HPPMRKJUPFSOMW-DZKIICNBSA-N 366.414 -0.684 30 20 FBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1070107308 ZFWSAJXIABFLKV-OLZOCXBDSA-N 371.401 -0.236 30 20 FBED C[C@H]1CCCN(C(=O)CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 1076898598 QRRNAKQEFCJJTE-APHBMKBZSA-N 359.430 -0.080 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3nc(C(C)C)n[nH]3)C[C@H]2O)nn1 1077802543 MXTJJLMCAICKTH-DGCLKSJQSA-N 360.422 -0.319 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(Cc3nc(CC)no3)C[C@H]2O)nn1 1077813856 GDGURVHERRJGNY-DGCLKSJQSA-N 361.406 -0.225 30 20 FBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078223673 LCQYZVBSAYGJST-IJLUTSLNSA-N 370.251 -0.090 30 20 FBED CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 1082023762 VBHUMEXPCNKNEG-BZUAXINKSA-N 357.414 -0.103 30 20 FBED CN(C)c1nc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ns1 1083414451 DKGQFCVGPQERCB-NEPJUHHUSA-N 361.431 -0.221 30 20 FBED C#CCN[C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H]1c1cnn(C)c1 1086989633 LFFDJBBUJHEHEP-OWCLPIDISA-N 364.471 -0.095 30 20 FBED Cn1cc([C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2NCC#N)cn1 1087000427 VNSUTUYBCMCOLQ-LSDHHAIUSA-N 365.459 -0.348 30 20 FBED CCOCCOCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090457976 FIOLULDBOQAYFB-HUUCEWRRSA-N 363.418 -0.153 30 20 FBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C(=O)Nc3ccccc3)C2)nn1 1090559696 YZWCFUKORSQTJC-ZIAGYGMSSA-N 352.354 -0.347 30 20 FBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)COCc1ncnn1C 1090914260 VFARXDCZXHRNNZ-HUUCEWRRSA-N 371.401 -0.382 30 20 FBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H](C)S(C)(=O)=O 1090949578 QAMVTQIJPVSKBX-YUSALJHKSA-N 353.404 -0.899 30 20 FBED Cc1nccn1CCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091122448 WQTNQGZYOMBFSU-KGLIPLIRSA-N 355.402 -0.001 30 20 FBED CCOCCOCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091125979 CKSFQJNOALMIRI-KGLIPLIRSA-N 363.418 -0.153 30 20 FBED CCOCCOCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091126012 DOUQEPWNWRKLSJ-CABCVRRESA-N 363.418 -0.153 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CNC(=O)c3ccncc3)C2)nc1 1091187698 KEQAKHDIEZETKA-CABCVRRESA-N 366.381 -0.556 30 20 FBED CCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1n1ccnn1 1092093109 DUBDGGHTOAVBJA-KGLIPLIRSA-N 356.390 -0.088 30 20 FBED C=CCCn1cc(C(=O)N2CCN(CC)[C@H]3CS(=O)(=O)C[C@H]32)nn1 1094667301 MGYNERHNDUWPGA-UONOGXRCSA-N 353.448 -0.203 30 20 FBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C(F)(F)F)C1=O 1099226912 OBARJFOMLPWHQB-OUAUKWLOSA-N 362.352 -0.372 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)Cc3cncn3C)C[C@]2(C)C1 1101429954 ICRBBSPYPHIQMR-CLCXKQKWSA-N 357.458 -0.119 30 20 FBED CO[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)c1cnn(C)c1 1102194963 PISJOSKZTVCIEU-IOASZLSFSA-N 362.434 -0.569 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2N)C1 1102894508 QQGNQCJBQORXTN-HZSPNIEDSA-N 360.462 -0.172 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1OCCO[C@H]1C 1103100698 GHARMQZTMAVBML-CTASWTNQSA-N 352.435 -0.496 30 20 FBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1106781978 MSEIMLDSRYPYPE-CHWSQXEVSA-N 360.418 -0.214 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1108272505 JDBYWGUGCZQWJM-QRTARXTBSA-N 364.450 -0.102 30 20 FBED C=CCCCC(=O)N1CCN(CC(=O)N2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 1108481234 FBHBCBPNVCSGSD-LSDHHAIUSA-N 369.487 -0.115 30 20 FBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111380270 YDYCQSMOCUOKNR-KFWWJZLASA-N 362.430 -0.310 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)CN1CCOCC1 1111411458 PIAOCSWRVYUTOO-HZMVEIRTSA-N 364.490 -0.022 30 20 FBED N#Cc1ccc(NCCCOCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1115443201 JZJAOXQWGUWTCU-LSDHHAIUSA-N 361.402 -0.079 30 20 FBED N#CCNC(=O)CNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1117709856 NBNLOLKWUHKMOT-UHFFFAOYSA-N 365.411 -0.235 30 20 FBED Cn1ccc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)CSCC#N)C2)n1 1128723795 FJXGTAHVPAFWHC-KGLIPLIRSA-N 360.447 -0.190 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1n1ccnn1 1128812463 ZZSZMGIOMDAROI-CABCVRRESA-N 362.434 -0.555 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 1128961666 GLIYPGJZLXWZMU-WWGRRREGSA-N 350.423 -0.965 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOC(C)C)C[C@@H]1n1ccnn1 1129598304 HLURSRZMIVQJPJ-CABCVRRESA-N 362.434 -0.816 30 20 FBED 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30 20 FBED CC(=O)N1CC[C@H](/N=C(/O)N2CCN(c3ccc4nncn4n3)CC2)C1 329945393 FURADFQZBNGULH-ZDUSSCGKSA-N 358.406 -0.219 30 20 FBED CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409560827 DVESQUIKYHSVFV-SRVKXCTJSA-N 362.477 -0.255 30 20 FBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 409590449 GTZJNBLZWGSVKW-LBPRGKRZSA-N 352.482 -0.272 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 410103026 FEXLMFOTAHJFRG-LLVKDONJSA-N 350.466 -0.444 30 20 FBED CCN(CC)CCO[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 410147965 BAIGUOKYIZCCIQ-CABCVRRESA-N 360.480 -0.112 30 20 FBED CCCNCCNC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 419912293 WIGBQIAKLHGJPE-BFUOFWGJSA-N 369.425 -0.026 30 20 FBED CN[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 423070443 NIBVKZNREGYVNH-HNNXBMFYSA-N 356.430 -0.188 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 430656344 SZDQYQFCNCBAEC-ZIAGYGMSSA-N 351.451 -0.470 30 20 FBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 443101081 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CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 609282701 HKTPGWKASZXSLE-CQSZACIVSA-N 360.370 -0.109 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)C(=O)C1 619444510 AKLVQHSNPUBCSL-WCQYABFASA-N 364.427 -0.038 30 20 FBED C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 647374290 ZUNWSLFBICJRIN-FRRDWIJNSA-N 360.418 -0.497 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 728608710 QUFUZQOBMZFQSN-UHFFFAOYSA-N 367.409 -0.818 30 20 FBED CNC(=O)CNC(=S)NN=Cc1c(C)nn(CCC(=O)OC)c1C 731928769 ILBTYVHPLKNWCJ-UHFFFAOYSA-N 354.436 -0.393 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)o2)CC1 733147544 RTKSXBSOXWGVHY-UHFFFAOYSA-N 353.400 -0.810 30 20 FBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2F)CC1 761036907 HVYUMLFMPWFKIQ-UHFFFAOYSA-N 368.434 -0.473 30 20 FBED COCC(=O)N(C)CC(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766990386 LNPPPDGKIHILHO-UHFFFAOYSA-N 355.372 -0.523 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@](C)(O)c2ccccc2)CC1 831568539 JWNWWXQZLRCFDP-QGZVFWFLSA-N 365.455 -0.104 30 20 FBED C#CC1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 834312951 QGOGGEKONRUUOH-UHFFFAOYSA-N 356.382 -0.288 30 20 FBED N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 841737869 OIXVLESQDBDQQP-OAHLLOKOSA-N 371.445 -0.029 30 20 FBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCS(=O)(=NS(C)(=O)=O)CC1 846919202 ZHDBHZZXRVXAPS-NSHDSACASA-N 362.477 -0.319 30 20 FBED C[C@H](OC(=O)c1cccc(C#CCO)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 860079443 MDFGYJNWNNBGFQ-WFASDCNBSA-N 365.407 -0.121 30 20 FBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 938705469 PILZZZXOFXRSPO-SOUVJXGZSA-N 356.382 -0.574 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CN1CC(=O)NC1=O 944198492 RSKRDJAQZCSZEY-UPJWGTAASA-N 364.402 -0.764 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 962024482 PMWVYVYAGNKIAW-DTJSUFBGSA-N 363.458 -0.127 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)Cc3ccncc3C)C[C@@H]2O)nn1 963309299 AOFKVXJBGBRFFJ-ZBFHGGJFSA-N 370.413 -0.288 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CN(CC)CCO3)C2)cc1 964972939 OWOPYJHNPKMQHX-FGTMMUONSA-N 371.437 -0.310 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c(C)cnn3C)C[C@@H]2O)nc1 969349196 YBNKZVAKMIWKAB-CABCVRRESA-N 353.382 -0.280 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 969412908 MKAMOCALQCRGRN-CABCVRRESA-N 353.382 -0.361 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 969495798 SZTBOEVVPGEWSI-GDLCADMTSA-N 354.370 -0.067 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 970277293 MZTBOABMHNZWEG-PMPSAXMXSA-N 371.441 -0.314 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C4CC(=O)NC(=O)C4)C[C@H]32)[nH]1 971847853 MDIMHYBNHCMGFZ-QMTHXVAHSA-N 369.381 -0.388 30 20 FBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2nccn2)C1 981625145 IFAOFNZWFHSPMT-XHSDSOJGSA-N 358.446 -0.223 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C)C2)nn1 992937998 WURMSOLQYSOAHZ-WBMJQRKESA-N 371.405 -0.929 30 20 FBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 1004477738 BYCCVBFQLGOWCY-OLZOCXBDSA-N 360.418 -0.446 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CN2CCOCC2=O)CC1 1011283272 JTNMNMJDRHJKAI-KGLIPLIRSA-N 351.403 -0.893 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1019064757 GVWCHDSLNGATNH-MJBXVCDLSA-N 362.430 -0.290 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(CC(=O)NC)no2)C1 1022737420 ZFILRFKOUGDBCA-XQHKEYJVSA-N 363.418 -0.314 30 20 FBED Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023334477 RVJQPCHCCOYGKY-ZNEHSRBWSA-N 368.397 -0.275 30 20 FBED Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(=O)c1 1023335551 LSHGTPYWDCBFNA-HUUCEWRRSA-N 369.381 -0.642 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2O)c[nH]1 1023467703 WWWYUDHGKHVQRR-RBRCJPGISA-N 374.397 -0.761 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1O 1024232457 BJLNBYFNHUWQRJ-IUODEOHRSA-N 358.402 -0.099 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1024582281 WSRYBUQLPCZHKW-NGFQHRJXSA-N 374.397 -0.927 30 20 FBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1025142857 ICFYSNBATDNJEG-GZBFAFLISA-N 360.414 -0.546 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4ncccn4n3)C2)c[nH]1 1025246843 LRKZAUFKPDRHEM-ZIAGYGMSSA-N 365.353 -0.456 30 20 FBED COCCn1cc(C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)nn1 1040718273 PBNVAPKJZHQILR-GXTWGEPZSA-N 368.401 -0.063 30 20 FBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)Cn4ccc(O)nc4=O)[C@@H]3C2)n1 1040756235 ROWBGCDPHCWLMZ-WCQYABFASA-N 367.369 -0.652 30 20 FBED C[C@]1(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)CCCS1(=O)=O 1041085615 SDRQUMOADZHAAI-XJKCOSOUSA-N 364.427 -0.414 30 20 FBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4oc(O)nc4n3)C2)cn1 1041108531 IXFZAHYKSVSHPB-GHMZBOCLSA-N 367.325 -0.430 30 20 FBED CC1CCN(C(=O)C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)CC1 1041375997 PUHGMHIYQFKRPB-GDBMZVCRSA-N 357.414 -0.123 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 1042076715 SFUTXSQPKOYIRL-ZYHUDNBSSA-N 357.374 -0.817 30 20 FBED N#Cc1cncc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2coc(C(N)=O)c2)n1 1043768619 CTROKKRKDZPEJD-GXTWGEPZSA-N 368.353 -0.230 30 20 FBED Cc1cn2ccnc(C(=O)N[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]3O)c2n1 1044175197 HNDCBXVVOCGGBD-OLZOCXBDSA-N 364.369 -0.321 30 20 FBED Cc1cccn(CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)c1=O 1044197814 BNNLFDMNQDQTHN-CABCVRRESA-N 371.372 -0.072 30 20 FBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 1044288730 FVNFFKGEEZCYLW-DFBGVHRSSA-N 353.386 -0.527 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccc4nc(O)[nH]c4n3)C2)nn1 1044458193 WRCDHNKFQQUAPB-NEPJUHHUSA-N 366.341 -0.695 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1046824146 PDLIPAZMMVVWIV-TUVASFSCSA-N 351.447 -0.393 30 20 FBED CN1C[C@H](C(=O)N2C[C@H]3CCN(c4cnc(C#N)cn4)C[C@H]3C2)NC1=O 1049580557 KTQJKAIETIWOEB-MBNYWOFBSA-N 355.402 -0.343 30 20 FBED 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29685059 GDBDWCXTGFTVIJ-UHFFFAOYSA-N 374.444 -0.842 30 20 FBED CS(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 50099677 KGNPHHKCSTWYRU-UHFFFAOYSA-N 352.420 -0.666 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 268714968 MBIZZBIYRBHCEW-DGCLKSJQSA-N 364.427 -0.051 30 20 FBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 279335393 UILJHJMBDPMHNV-HNNXBMFYSA-N 368.463 -0.230 30 20 FBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 287090307 RTUKFHPAIIODPK-SNVBAGLBSA-N 351.325 -0.025 30 20 FBED Cn1ncnc1[C@@H]1COCCN1/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1 328900039 XWLSKCGMRVNQRK-RYUDHWBXSA-N 372.451 -0.474 30 20 FBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CCCOC1 349486220 BOBOZZAVUYMWMA-STQMWFEESA-N 367.493 -0.009 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C(C)(C)CN2CCOCC2)C1=O 414051179 MAWGJHQNKRYDNL-UHFFFAOYSA-N 366.418 -0.468 30 20 FBED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 425383025 JMRUXIFJZJOSLW-LEWSCRJBSA-N 354.366 -0.191 30 20 FBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 429915752 FNGIGLVCTDPDMU-UHFFFAOYSA-N 367.431 -0.246 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc(N)no1 482370585 UOOUWXYXUHHRMO-VIFPVBQESA-N 364.387 -0.451 30 20 FBED CCN(C[C@H](C)C#N)C(=O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 533035180 WFOAADUTHLNLNA-OLZOCXBDSA-N 358.464 -0.770 30 20 FBED Cn1c(N2CCC3(CC2)CCS(=O)(=O)CC3)c(C#N)c(=O)n(C)c1=O 582276943 CVNKPLONXKWIFR-UHFFFAOYSA-N 366.443 -0.249 30 20 FBED COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 592774679 WBICGEKXXXPHLZ-HNNXBMFYSA-N 368.415 -0.032 30 20 FBED Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H](C#N)CO)CCCC1 597739832 CAXVNOQSSRAXMU-NSHDSACASA-N 356.404 -0.117 30 20 FBED N#CCN1CCC[C@@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 598686445 BVWUWAYDTFXFEH-LBPRGKRZSA-N 360.422 -0.744 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(N)=O)C1 600316747 FTTPNQDUHYJPKZ-YUSALJHKSA-N 350.400 -0.395 30 20 FBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@]2(CCOC2)O1 601476225 KGMJGEKBQRKQKT-YOEHRIQHSA-N 350.419 -0.549 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 733149906 XRHOPTQFINCCFI-UHFFFAOYSA-N 369.429 -0.362 30 20 FBED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769169812 AADDTUUQEAFYMX-UHFFFAOYSA-N 350.356 -0.590 30 20 FBED CCc1noc(C)c1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891196 SRENQYOHXMLNQX-UHFFFAOYSA-N 369.403 -0.355 30 20 FBED Cn1cc(S(=O)(=O)NN=Cc2csc(C3CC3)n2)c(=O)n(C)c1=O 771896559 CHQVJVWAONZXGY-UHFFFAOYSA-N 369.428 -0.270 30 20 FBED COC(=O)CCC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 782603462 FIFZSKODZVXOEX-UHFFFAOYSA-N 368.367 -0.098 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1nnn(-c2ccn(C)n2)c1C 814577924 QHNOFXSJFDCWOP-JTQLQIEISA-N 361.362 -0.134 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(O)C1=O 848135376 CEYDMHCVVUGMGD-MFKMUULPSA-N 366.399 -0.279 30 20 FBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 848963594 WHDDQJBSZOQSPX-GFCCVEGCSA-N 373.460 -0.245 30 20 FBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 850630145 GBGGTMPHWOHUCI-UHFFFAOYSA-N 371.357 -0.108 30 20 FBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 890521563 KEDUNVPTSWBEQW-UHFFFAOYSA-N 355.441 -0.428 30 20 FBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3n2CCCC3)CC1 906914094 ZQSMIRDICUYJJR-UHFFFAOYSA-N 365.459 -0.725 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2OC)c1 946643901 FMLMHLVDMDVSTP-RBSFLKMASA-N 356.382 -0.845 30 20 FBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2O)nn1 958849062 AXTIJNAEMWDUDP-MJFSBKNWSA-N 361.402 -0.856 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1O 958968881 XBIPPEHUFFJLGQ-QPSCCSFWSA-N 368.430 -0.239 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)cn1 960709155 NBHHQRZGPNMPCV-OWCLPIDISA-N 368.393 -0.749 30 20 FBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@H]32)c1 960916228 JQMDEHKOVFYQEP-LSDHHAIUSA-N 370.409 -0.374 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cccc4ncnn34)C[C@@H]2O)c[nH]1 962392322 IPTXFQFRHWXKOI-OCCSQVGLSA-N 365.353 -0.456 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 964200111 IHCYJPJJYNMUGK-WWGRRREGSA-N 363.418 -0.328 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2O)nn1 964298614 AWZMZEXSBWKPKB-RISCZKNCSA-N 359.390 -0.797 30 20 FBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1 964342120 SCXXXNHCIHHJOK-ZNMIVQPWSA-N 356.382 -0.859 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c(C)nnn3CC)C2)nc1 965797853 CGVYZKHYKLDOKG-CABCVRRESA-N 368.397 -0.402 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1O 967208345 OTKPWMSLRBLMEB-LZWOXQAQSA-N 363.414 -0.219 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1O 968348100 OXVOHJADCZOSSO-IPYPFGDCSA-N 358.398 -0.814 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3nnc(C)o3)C[C@@H]2O)cc1 969473088 KMYVJUVWFMWNNI-CABCVRRESA-N 354.366 -0.096 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCC(=O)N3C)C2)cc1 969502435 XNQMBOCXFFVLNN-ZACQAIPSSA-N 369.421 -0.020 30 20 FBED C=C1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)CC1 969537107 TXXPXVXCZNTXMT-MCIONIFRSA-N 350.419 -0.556 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 976772841 OKYBWXQJGLFENI-KLUNEYRZSA-N 370.409 -0.042 30 20 FBED CN(C[C@@H]1CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)c1c[nH]c(C#N)c1 977583963 IXZIJTBAVYVZBQ-MELADBBJSA-N 359.386 -0.408 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 987726921 FHMHMHHIQPAIMZ-KFWWJZLASA-N 362.434 -0.039 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 990880626 OVOVGQBTJMEVRF-SCRDCRAPSA-N 368.401 -0.238 30 20 FBED C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 993908403 OLUVIHYBQZJKHV-VXGBXAGGSA-N 371.401 -0.694 30 20 FBED Cc1c[nH]cc1C(=O)N1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 995458279 ZUKKSIQIYBXWAT-GDLCADMTSA-N 364.427 -0.067 30 20 FBED C#CCOc1ncccc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 997065749 PQOGYEKZFPLLOH-CABCVRRESA-N 370.409 -0.242 30 20 FBED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)nn1 998123925 ZABSFMLLJRUZRN-XFMPKHEZSA-N 372.429 -0.148 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnnn1C 1003675601 YGVIFHVWWJSMNT-KBXIAJHMSA-N 356.430 -0.226 30 20 FBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)c[nH]1 1003980905 LYRWOGMDHNSAHL-JXJLXUTGSA-N 369.381 -0.199 30 20 FBED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c[nH]1 1007728347 UEMWVNRPYKGHND-GLJUWKHASA-N 371.397 -0.549 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)cn1 1021039675 METYHACZEDHMFR-DZGCQCFKSA-N 351.370 -0.578 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C)ncn3)C2)nn1 1023425377 YOCVUBDXJIIGIV-UKRRQHHQSA-N 371.401 -0.432 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCc4nn[nH]c43)C[C@H]2O)[nH]1 1023433185 MAJFRJQKZMHYKV-LERXQTSPSA-N 369.385 -0.574 30 20 FBED COc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 1023437230 OEGAZXPIMXPTPV-HUUCEWRRSA-N 355.354 -0.095 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)nc1 1023669120 ZKBZQMDQBRNXRM-HZPDHXFCSA-N 366.377 -0.774 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1023694133 JOMRFRNGFFLDEH-VQHPVUNQSA-N 365.474 -0.003 30 20 FBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2O)cc1 1023765402 PRGGWNHHJVZFCC-ARFHVFGLSA-N 371.393 -0.721 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2O)nn1 1023922235 QPNWXZYCUNXVFV-AXAPSJFSSA-N 367.381 -0.716 30 20 FBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1024260950 DCVDIGZBHVUZSR-DGCLKSJQSA-N 350.419 -0.372 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1O 1024360416 JQLNWWXNACGHDY-IXDOHACOSA-N 371.441 -0.314 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 1024435872 LDCUIVINGYIKBD-KCPJHIHWSA-N 354.370 -0.272 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCN(CC3)C4)C2)cn1 1024787617 SQPJIPKDTCXECR-HZPDHXFCSA-N 354.410 -0.540 30 20 FBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(O)n(C)c3=O)C2)C1 1024993135 KVCDBWPUIXKTPI-VXGBXAGGSA-N 362.386 -0.856 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1025257612 WQNPUXDOWQPQEO-ZIAGYGMSSA-N 367.365 -0.501 30 20 FBED CN1CC[C@@H](C(=O)N2C[C@H](n3ccnn3)[C@H](N=c3cc[nH]cc3C#N)C2)C1 1039606168 DCLQVOJRUAKQEF-XYPHTWIQSA-N 366.429 -0.218 30 20 FBED N#Cc1ccc(N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2n2ccnn2)nc1 1039621027 ABDJCDKXDRWYSY-MJBXVCDLSA-N 366.385 -0.313 30 20 FBED Cc1cc(C#N)nc(N2CCCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1039925372 ZICWFSMAUQTFNV-MCIONIFRSA-N 358.402 -0.510 30 20 FBED Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041059354 MKWOSVMOUGJAPN-UKRRQHHQSA-N 367.413 -0.132 30 20 FBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)n1 1041122136 LZHMJUJBCHIHFW-ZIAGYGMSSA-N 367.369 -0.918 30 20 FBED CC(C)Oc1cnc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)cn1 1041184075 KURXNKBWGGYADA-ZIAGYGMSSA-N 369.385 -0.095 30 20 FBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3coc(C(N)=O)c3)C2)n1 1041251253 GIGKLPRVGHFOBS-CHWSQXEVSA-N 355.354 -0.067 30 20 FBED CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1041279479 GHSIDEFNVHZHMW-IACUBPJLSA-N 361.377 -0.231 30 20 FBED CC(C)N1C[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)CC1=O 1041401277 MFSBIQFVSZZIJA-IACUBPJLSA-N 358.402 -0.729 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1043222014 CCPJFXBYYUIEMK-JYJNAYRXSA-N 365.474 -0.001 30 20 FBED Cn1nc(C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)ccc1=O 1043722413 UCLRUSBCNBBURH-UONOGXRCSA-N 367.369 -0.828 30 20 FBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCc4nncn4C3)C2)ccc1C#N 1043997913 ZPETZOFXMJWERN-ZNMIVQPWSA-N 367.413 -0.219 30 20 FBED COCc1nc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)cs1 1044016479 PDOPTHFWLGSQHM-KOLCDFICSA-N 360.399 -0.069 30 20 FBED 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CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)N(CCC#N)CCOC 410136115 PVLIULSHOBRIBZ-LBPRGKRZSA-N 355.482 -0.152 30 20 FBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 410909883 MJGGIXTWMOXUGG-AWEZNQCLSA-N 373.475 -0.326 30 20 FBED CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 423614944 QQRBGFWHDLJEMP-OAHLLOKOSA-N 356.430 -0.188 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCOC[C@H]1C#N 476694445 AGAASIMHXBQNNN-ZYHUDNBSSA-N 366.399 -0.797 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCOCCO)CC2)o1 503268315 MIBVZFCTAMHROQ-UHFFFAOYSA-N 351.407 -0.556 30 20 FBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 508827030 POYXJBCNZJZOID-NSHDSACASA-N 371.467 -0.464 30 20 FBED N#Cc1ncn(CCNS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)n1 511397889 YFZMQPRACKBRLL-UHFFFAOYSA-N 372.410 -0.036 30 20 FBED CC(C)NS(=O)(=O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 519765192 KHTKMIXXVGJLSZ-UHFFFAOYSA-N 360.461 -0.356 30 20 FBED COC(=O)[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 543566131 SLMNETLPMKCNCY-NSHDSACASA-N 355.372 -0.939 30 20 FBED CN(CCC#N)C[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 564723530 LUYLDJAQNPPMCH-ZDUSSCGKSA-N 350.510 -0.839 30 20 FBED COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 579610688 ITJLYYLMGZHLPE-ZDUSSCGKSA-N 359.386 -0.237 30 20 FBED Cn1cc(S(=O)(=O)N2CCCc3nc(C#N)ccc32)c(=O)n(C)c1=O 593290150 WGSUFKGWELDXMJ-UHFFFAOYSA-N 361.383 -0.508 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 595041532 AZQFTAQIAYQFCA-NSHDSACASA-N 350.375 -0.380 30 20 FBED COC(=O)COCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 600046428 ILSKRXPVTSAEJM-UHFFFAOYSA-N 351.363 -0.246 30 20 FBED Cn1cc(CCn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)nn1 600608836 YEBXOMCNVJGVOB-UHFFFAOYSA-N 360.374 -0.405 30 20 FBED Cc1nc(=NC(=O)c2cn(C)c(=O)nc2O)n(-c2ccc(C#N)cc2)[nH]1 610232204 XNSFPNJLDBQVIW-UHFFFAOYSA-N 351.326 -0.079 30 20 FBED C=C[C@@H](O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 613367262 HKJVNTLQZJPURV-LSDHHAIUSA-N 361.446 -0.085 30 20 FBED N#C[C@@]1(F)CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 615521037 JBSIFMKTJBQKEA-DOMZBBRYSA-N 366.374 -0.097 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc(O)o3)C2)C1=O 670384611 RCZNNBSCWNNBMY-SECBINFHSA-N 363.330 -0.542 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCC(OC)CC2)C1=O 674310388 GGDRBHATIJBGQF-UHFFFAOYSA-N 352.391 -0.810 30 20 FBED CS(=O)(=O)CCNC(=S)N1CCN(c2ccc(C#N)cn2)CC1 729157122 YBVLDFQOFRLRSW-UHFFFAOYSA-N 353.473 -0.006 30 20 FBED C#CCOc1ccccc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 730573774 DHDSIEPLEUWHSA-UHFFFAOYSA-N 350.352 -0.136 30 20 FBED N#CCOc1ccc(CC(=O)NCC(=O)NCCN2CCOCC2)cc1 732157683 DKGAGGMIQZWNNT-UHFFFAOYSA-N 360.414 -0.304 30 20 FBED CN(C(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(C)(C)C#N 749595797 QCVUGMGCGDUWBZ-UHFFFAOYSA-N 367.387 -0.740 30 20 FBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758077613 RIGLGKGZMJXNRU-UHFFFAOYSA-N 368.374 -0.300 30 20 FBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COCc2ccco2)CC1 761037108 LLEBLWNGXGBAOV-AWEZNQCLSA-N 357.432 -0.758 30 20 FBED COCCCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769745411 HBKCDGRQHFORMW-UHFFFAOYSA-N 369.399 -0.468 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 770334584 VGANSKWYVRNWDT-HNNXBMFYSA-N 357.476 -0.406 30 20 FBED COC1(CO)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 773249141 JZVNCYUOPULVTB-UHFFFAOYSA-N 367.427 -0.275 30 20 FBED C#C[C@H](NC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C)[C@@H]1CCCO1 809313447 UYRDKNAUVPCNDV-PVAVHDDUSA-N 363.458 -0.005 30 20 FBED C[C@](C#N)(CC(=O)O)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 819821934 KGXLKGYNVRZFBI-MLGOLLRUSA-N 352.391 -0.960 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 823925239 GKPCEGXWDCSRPU-SKDRFNHKSA-N 374.357 -0.156 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)C2(OCC)CCOCC2)CC1 826549491 JHFSRDLOPIVOTL-UHFFFAOYSA-N 351.447 -0.144 30 20 FBED C#CCCN(CCOC)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 852752261 SGHCKKMPDKHAJP-UHFFFAOYSA-N 364.446 -0.060 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 938009339 CTXOAMCATKYVEK-IHRRRGAJSA-N 356.444 -0.271 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H](C)C2)nn1 939664421 ABTAPTGCKDOYLA-GRYCIOLGSA-N 361.406 -0.888 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2=O)C1 958491678 WLIWGSCWIIISRX-QPSCCSFWSA-N 365.430 -0.770 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 958844172 DLLZOUFHHRMXST-UGUYLWEFSA-N 362.430 -0.416 30 20 FBED C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 959694831 HNJUQZZPJZAPEU-BXKDBHETSA-N 358.358 -0.985 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2COCCO2)c1 960065039 SMDYAEUPCMRZSD-RRFJBIMHSA-N 360.370 -0.646 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C[C@H]2CCC(=O)N2)c1 960618771 MVIBBDHXYRJPRK-VHDGCEQUSA-N 371.397 -0.393 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 961394329 URIXFKAEFPVTOW-QLFBSQMISA-N 359.382 -0.426 30 20 FBED Cc1noc(CCC(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 962393066 OASTXABJHPTARX-OLZOCXBDSA-N 358.358 -0.488 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 965820472 WVENOBNDALVPNR-QLFBSQMISA-N 359.426 -0.390 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@@H]1O 967137974 KJJIZIYENVZIHU-BMFZPTHFSA-N 362.430 -0.694 30 20 FBED Cn1nnc2cc(C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3O)ccc21 968608813 NVNVZZIPCRFYSW-ZBFHGGJFSA-N 353.382 -0.317 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCC4)C[C@@H]2O)cn1 969357774 JUFBRRHWQBSDEI-ZBFHGGJFSA-N 365.393 -0.179 30 20 FBED CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)C1 969666871 ABNOJFPRVYFONC-YUELXQCFSA-N 359.386 -0.944 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 972834644 CYXKWYPXEUBVNB-QLFBSQMISA-N 356.430 -0.496 30 20 FBED C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 974696148 DJLUFGSYWUPTOR-BRWVUGGUSA-N 366.421 -0.049 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]21 976592146 LGLBVZSMXJWFJH-UMBPPFEGSA-N 362.430 -0.436 30 20 FBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)c[nH]1 985980611 YIUQZEYOUKZAJZ-ZLDLUXBVSA-N 355.398 -0.057 30 20 FBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)nn1C 990832041 KXRCHQOVDRHTFH-HONMWMINSA-N 356.390 -0.338 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C)C2)nn1 992938364 ZPHUIENVHXISFG-SDFXEEBMSA-N 372.429 -0.494 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](c2cn(C)cn2)C1 993556766 JZHOTJHBVYKCGH-UHIISALHSA-N 369.385 -0.613 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1002199354 DUMSYIIZRLMUEW-ILXRZTDVSA-N 370.471 -0.023 30 20 FBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1004287530 JYAUPMIMLVBDBM-DBIOUOCHSA-N 366.399 -0.052 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2COCCN2C(C)=O)C1 1004532870 BNFJVIBFSJBLSF-OAGGEKHMSA-N 365.430 -0.601 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]12 1009106774 LSQVSLPSFZGVCY-ZSAUSMIDSA-N 370.471 -0.167 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)c3cccn4nnnc34)[C@H]2C1 1013155876 WYIRUIYMYXEPJF-SAXRGWBVSA-N 368.397 -0.098 30 20 FBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]23)nc1 1013513506 OQQNGJCKSWGXKJ-DNNBLBMLSA-N 368.437 -0.031 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)CCn3cnnn3)C2)C1 1019457745 ZUGBJARVQMZNJX-KGLIPLIRSA-N 360.418 -0.285 30 20 FBED C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1024113746 MZMYLUPKWZBXNE-QJPTWQEYSA-N 357.838 -0.069 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4nccn4c3)C2)c[nH]1 1024643159 ZDMPBJCQNZHERI-ZIAGYGMSSA-N 365.353 -0.456 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccnc(OC)n3)C[C@H]2O)cn1 1024927991 MOTZQUXKJUUXLW-HUUCEWRRSA-N 367.365 -0.523 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 1039567025 ZBZJXOKAROUFKV-JKIFEVAISA-N 363.418 -0.661 30 20 FBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)n1 1041450067 VYAXFHCOCVYEIO-LVYCXYHQSA-N 359.386 -0.935 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 1042188162 XMBKACOGEBBNEQ-ZYHUDNBSSA-N 371.401 -0.380 30 20 FBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1043032399 AGWUTOCSAKBDAQ-ZBFHGGJFSA-N 350.415 -0.469 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1043220484 NEDWWZKMLVWTKE-HOCLYGCPSA-N 362.430 -0.056 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1043257000 IYKIVUCOJMEZSL-KGLIPLIRSA-N 365.430 -0.817 30 20 FBED CCOc1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)cn1 1044031470 LDAPZUJKHVDFIK-OLZOCXBDSA-N 355.358 -0.484 30 20 FBED C[C@]1(C(=O)N[C@@H]2CN(c3snc(Cl)c3C#N)C[C@@H]2O)CNC(=O)C1 1044341721 NRVZHEACXZHVBY-TVLCNXBWSA-N 369.834 -0.140 30 20 FBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 1044522286 SLOJCVRYBSNFGD-WVWOOGAGSA-N 372.429 -0.522 30 20 FBED 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C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@@H]1n1ccnn1 1070329954 OHLNZSSSMXJTRJ-PMPSAXMXSA-N 362.434 -0.557 30 20 FBED CN1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)C1=O 1070377279 PGGJTSGPYHHRPM-LZWOXQAQSA-N 361.446 -0.536 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1070964350 DZXSMDWIHLXPIU-KFWWJZLASA-N 366.462 -0.508 30 20 FBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C#N 1076946778 DFUFEYHICYFQCV-MGPQQGTHSA-N 360.370 -0.663 30 20 FBED C[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)N1C(=O)CCC1=O 1077087727 RJQJTSNPBBHGQX-DAXOMENPSA-N 370.409 -0.243 30 20 FBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3nnc(O)nc3O)C2)s1 1077310077 VTWMNZHZSDACQD-NXEZZACHSA-N 362.371 -0.809 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cncc(OC)n2)C[C@@H]1O 1083535887 RZUAYIOTYNBDIO-PMPSAXMXSA-N 359.430 -0.756 30 20 FBED C#CCN1CCC(C(=O)N2C[C@H]3CCN(CCS(C)(=O)=O)C[C@H]32)CC1 1084850946 FLHAYTNOLWATJL-IAGOWNOFSA-N 367.515 -0.091 30 20 FBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)COCc1nccn1C 1090923202 ZVFXWUGSXIRHBF-ZIAGYGMSSA-N 371.401 -0.382 30 20 FBED C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1Nc1cncc(C#N)n1 1090997409 ZNMYZCBPKBIVTN-DGCLKSJQSA-N 356.390 -0.048 30 20 FBED C=CCCOCC(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1O 1091116150 JHRLRGDAYDZKSG-KGLIPLIRSA-N 363.418 -0.563 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O 1092370827 ZGGOOQKMJQRVKY-WZRBSPASSA-N 371.401 -0.475 30 20 FBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092924340 ZWUTWTIMUJSVAF-RDBSUJKOSA-N 358.402 -0.321 30 20 FBED C=CCN1CCN(C(=O)CCN2CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094669255 OTQLSCMHLVLLRH-LSDHHAIUSA-N 357.476 -0.796 30 20 FBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 1101122788 XMCMLPBRIAPOKG-KDOFPFPSSA-N 365.478 -0.140 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 1101397069 XZNWCBBEMJGPJI-DYVFJYSZSA-N 359.434 -0.039 30 20 FBED CCOCCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102595728 VDWLRYIIZYRFCN-QLFBSQMISA-N 354.451 -0.248 30 20 FBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C 1106818614 UBCGRDPESCNUDE-ZIAGYGMSSA-N 371.503 -0.060 30 20 FBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C 1107072409 ORBMBZXEAXISCE-UMVBOHGHSA-N 371.441 -0.384 30 20 FBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1108215477 AROKHQFYOXTCJG-VKJFTORMSA-N 351.447 -0.255 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(C)csc1=O 1110086264 SIPBMMKDDJUFQE-RDBSUJKOSA-N 362.455 -0.311 30 20 FBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cncnc1 1110491641 URWUZGRXHFQONJ-KFWWJZLASA-N 372.429 -0.248 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1ccncc1 1110584108 ZBDPCNFOUJGDIQ-OAGGEKHMSA-N 371.441 -0.165 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)nn1 1111112253 GDBSZZPNRNSFBP-UZWSLXQKSA-N 361.406 -0.617 30 20 FBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n1C 1111472805 ZVWNVLCNCHYFNJ-SYQHCUMBSA-N 361.446 -0.250 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 1116485288 VDJKANZRKDYAFF-UHFFFAOYSA-N 368.415 -0.561 30 20 FBED COC(=O)[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2 1120367169 WAQHAKAQBHQPQJ-OHNRDTAOSA-N 374.441 -0.013 30 20 FBED CCCSCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1128746927 OUOAPOXVOUTEHW-OLZOCXBDSA-N 365.463 -0.597 30 20 FBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)SC)C1 1128898019 PVTQGDZZEXKQPP-RDBSUJKOSA-N 364.475 -0.489 30 20 FBED COCC#CCN[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 1129589677 SPQWOFRLAMROCC-CVEARBPZSA-N 357.418 -0.444 30 20 FBED CCN1CC[C@@H](N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)C1=O 1129822093 FHKDTSNJHFHJTJ-OAGGEKHMSA-N 358.446 -0.100 30 20 FBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCc2ncc(C)cn2)C1 1129838314 UTZTUTFLPSLCCA-CVEARBPZSA-N 369.429 -0.042 30 20 FBED C=C[C@H](CC)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(N)=O)C1 1129977933 LCTNJGCWPCWWIE-UPJWGTAASA-N 363.422 -0.583 30 20 FBED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)C(N)=O)n1 1130215990 LLPPCCHLVNOVLR-RYUDHWBXSA-N 362.434 -0.582 30 20 FBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CN(C)C(=O)N2)n1 1130227659 JDRNESHSDCHQJU-TUAOUCFPSA-N 363.422 -0.907 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1 1130692577 RMPKKIJAZJEKEN-XJKSGUPXSA-N 359.434 -0.051 30 20 FBED C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCCO2)CCN1C 1149734237 UMTYAYSRFSPGBW-RBSFLKMASA-N 351.451 -0.827 30 20 FBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 1149862100 ULAQIPFXMGKPSW-LZWOXQAQSA-N 355.435 -0.700 30 20 FBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150006493 YJEWMZZMPLODDF-XLAORIBOSA-N 366.458 -0.105 30 20 FBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 1188087232 LSZLPYMUBKUZOB-YESZJQIVSA-N 363.458 -0.336 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1 1188388994 YJSBRDGGRWZWQN-YQQAZPJKSA-N 355.442 -0.272 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CNC(=O)CCC(C)C)[C@@H]2C1 1189439780 VRPLIVVPOBRTDS-JKSUJKDBSA-N 362.474 -0.179 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 1189538121 PRNUSPVGQIFQLR-SLEUVZQESA-N 359.430 -0.049 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 1190982817 BBPIVJRSOZZXED-CHWSQXEVSA-N 365.459 -0.178 30 20 FBED COCCOCC(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O 1191882816 XYKQJNLCAVZSNA-IAGOWNOFSA-N 363.414 -0.087 30 20 FBED CS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O 1194177675 ZQIBFCPXXOLPPO-HUUCEWRRSA-N 369.418 -0.207 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1196036735 CZNQXXCHKNQLCR-GMTAPVOTSA-N 362.377 -0.407 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cc3ccccc3n2)C1 1197859173 INXSLTDIPYWIIQ-KBRIMQKVSA-N 371.441 -0.112 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1208475010 NTCOBYIFZNSMJV-IJLUTSLNSA-N 365.434 -0.911 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@H](C)C1 1208550462 ITHJFBQFOYAZST-RHSMWYFYSA-N 370.453 -0.096 30 20 FBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1OC 1211992399 LWRSLPGOQLDUNV-BZUAXINKSA-N 369.462 -0.358 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1OC 1212032079 IVTXVOCYCSHKNU-RRFJBIMHSA-N 355.435 -0.700 30 20 FBED CO[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1NC(=O)C#CC1CC1 1212244434 SYWPYFJSQGBBSR-IAGOWNOFSA-N 356.426 -0.073 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1C 1214858847 BHURIXOPFZRPRQ-IUODEOHRSA-N 370.409 -0.183 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccnn1 1217714245 YYMGJWFIFQYHBY-SOUVJXGZSA-N 362.434 -0.730 30 20 FBED C[C@@H](C(=O)NCc1ccco1)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469149 HNFGWWVHEPOWKB-XZJROXQQSA-N 371.397 -0.041 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1220014525 NUHUCUKGUQWBBG-GLQYFDAESA-N 370.413 -0.510 30 20 FBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc3ncccc3c2)C1 1220270494 SOSGUAUYHACRBG-CVEARBPZSA-N 353.382 -0.351 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc3cccnc3s2)C1 1220675872 ANIIAQXDPILMQG-OLZOCXBDSA-N 358.423 -0.179 30 20 FBED CCCNC(=O)CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221448810 NXACUTFFRKVFNS-RBSFLKMASA-N 363.462 -0.337 30 20 FBED C#CCOCCC(=O)N1C[C@H]2CCN(CCCS(=O)(=O)N(C)C)C[C@H]21 1221542653 QSODHOHKYCXNNQ-HZPDHXFCSA-N 371.503 -0.160 30 20 FBED Cn1cc(CC(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)c(Cl)n1 1221813357 HDDOKSWGFHUXRY-DGCLKSJQSA-N 364.837 -0.212 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@@H]2C1 1222034800 KEYDAZWSPJYBGI-YSVLISHTSA-N 355.442 -0.203 30 20 FBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C2CC2)nn1 1226765757 DXZLIWYEOFQEOH-HUUCEWRRSA-N 358.446 -0.078 30 20 FBED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C 1301806832 UZEQBFIVBJJBGY-LBPRGKRZSA-N 363.422 -0.316 30 20 FBED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1320901779 SNKSONAIXCPOSJ-SECBINFHSA-N 352.368 -0.047 30 20 FBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)CC1 1322803147 YNSVUBBFUQABCO-HNNXBMFYSA-N 360.462 -0.118 30 20 FBED N#CCNC(=O)CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1323103142 MSJYKZHMJKAEIY-LLVKDONJSA-N 357.436 -0.870 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1326724213 BMBOUWWKFQZIFD-QWHCGFSZSA-N 372.443 -0.639 30 20 FBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(C#N)c2)O1 1327490739 MVJYILAAMIWQLN-LSDHHAIUSA-N 358.398 -0.074 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)nn1 1328107089 JNXALTFMEDOCGG-ZDUSSCGKSA-N 350.423 -0.741 30 20 FBED C=CCCSCCNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1328146381 IGGTWPQPTCOOEW-LBPRGKRZSA-N 363.505 -0.190 30 20 FBED CCN(CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1328426709 PPJVAUSHAKLEQO-QAPCUYQASA-N 366.462 -0.177 30 20 FBED C#Cc1cccc(CNC(=O)C(=O)N2CCC(C(=O)NCCO)CC2)c1 1336509578 QQYYLHHXPCVYQD-UHFFFAOYSA-N 357.410 -0.369 30 20 FBED CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](c2cnn(C)c2)C1 1344327328 OBDITIUAXWEXKK-BYCMXARLSA-N 360.418 -0.531 30 20 FBED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)s1 1475298772 PYNVMSJDBDTUFR-VIFPVBQESA-N 364.474 -0.044 30 20 FBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O 1573584839 GGPXINDSTXPFOO-CUOATXAZSA-N 359.365 -0.173 30 20 FBED C=CCn1c([C@@H]2COCCN2)nnc1N(C)CC(=O)N1CCOCC1 1574953637 DXFURJRJESMTCY-ZDUSSCGKSA-N 350.423 -0.580 30 20 FBED C#CCNC(=O)CN(C)C1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1575004708 JMBZMIZBDDVDCZ-UHFFFAOYSA-N 362.434 -0.616 30 20 FBED COCC#CCN[C@]1(CO)CCCN(C(=O)CCOCc2cnn[nH]2)C1 1576952023 DKVOTBGGTMDKGF-QGZVFWFLSA-N 365.434 -0.696 30 20 FBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)n1 1577256714 YFFTZYGURNAJPO-AWEZNQCLSA-N 355.406 -0.033 30 20 FBED N#Cc1ccc(C(=O)N2CC3(CCN(CC(=O)NCc4cnn[nH]4)C3)C2)[nH]1 1577712452 NGMXIKFZSUMXKK-UHFFFAOYSA-N 368.401 -0.531 30 20 FBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cc(C#N)ccc2F)c(=O)n1CCO 1580522194 LIDFCVWEHRATJF-UHFFFAOYSA-N 371.332 -0.450 30 20 FBED N#Cc1nc(=NC2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc[nH]1 1581885032 LCHREZSLAJJWQL-UHFFFAOYSA-N 364.373 -0.101 30 20 FBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353277 MUZALGAAAGYHJY-GMXVVIOVSA-N 370.417 -0.569 30 20 FBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C 1588658690 QMPFLWVVACWYFN-DGCLKSJQSA-N 372.433 -0.205 30 20 FBED C#CCN(C(=O)C(=O)Nc1cc(C(=O)O)n(C)c1)[C@H]1CCS(=O)(=O)C1 1602711633 LUIFIUOIMCCBLA-NSHDSACASA-N 367.383 -0.689 30 20 FBED C#CCOCCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nc(C)cc(-c3nn[nH]n3)n1)C2 1602729556 WRUCDLDJIZEDMJ-LNSITVRQSA-N 368.401 -0.302 30 20 FBED C=CC[C@H](C(=O)O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1602835394 OVCFRPFUWOHCAU-MELADBBJSA-N 361.464 -0.013 30 20 FBED CN(C)c1cc(C#N)cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1609269556 UYIDCYKXUOSBSZ-UHFFFAOYSA-N 352.362 -0.174 30 20 FBED C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cnn(C)c1 1736130285 FHORTFUCBKGPKV-FPMFFAJLSA-N 355.402 -0.044 30 20 FBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1O 1756983921 HXHJXOSULBNTJP-MGPQQGTHSA-N 367.446 -0.428 30 20 FBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1O 1756984956 MBIJBYJCEQEPBT-HUUCEWRRSA-N 356.386 -0.070 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@@H]1O 1757169084 MIRZKWXLJDHQQB-GLJUWKHASA-N 369.462 -0.888 30 20 FBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1764943139 NSCIKJYXRJEBKB-LBPRGKRZSA-N 356.452 -0.103 30 20 FBED CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](C#N)C1 1769373875 MOUHBWBETNMRSV-GFCCVEGCSA-N 354.436 -0.176 30 20 FBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)COC)CCO2)C1 1781267187 MWFQFMLCPCXQDG-QGZVFWFLSA-N 354.403 -0.028 30 20 FBED 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30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2csnn2)C1 1040373985 GBHJIBNWXISBBC-GMXABZIVSA-N 352.416 -0.178 30 20 FBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)Cc1cnn(C)c1 1042770774 CUWXHYMRAUEBQG-HUUCEWRRSA-N 355.402 -0.047 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1043256778 HWZMAPFPZAUEKW-IGCXYCKISA-N 356.394 -0.214 30 20 FBED COc1c(C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)cnn1C 1043740260 WNJVOBSZNVRHAQ-UONOGXRCSA-N 369.385 -0.180 30 20 FBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1043974971 DKFGRDRVPVLFEH-IKGGRYGDSA-N 371.441 -0.270 30 20 FBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1044077711 GYCYPVISPJBELT-RDBSUJKOSA-N 363.443 0.000 30 20 FBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)nc1 1044712434 ANKBQTYSOCZMDK-CABCVRRESA-N 367.369 -0.319 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 1055294485 FWIWKJKRSLCQEX-LXTVHRRPSA-N 369.425 -0.431 30 20 FBED 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C#C[C@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@@H]1CCCO1 773288311 YFOCHCAHQPAHFO-GJZGRUSLSA-N 357.476 -0.025 30 20 FBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)O)CCOC1 776680430 AJTHSNHEBDBVRY-AWEZNQCLSA-N 353.356 -0.915 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CNC(=O)O1 801289660 IALFSZIFGSDMNE-MWLCHTKSSA-N 353.356 -0.123 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccccc2-c2nn[nH]n2)C1=O 819745743 QVYUMDHGZPVPLA-UHFFFAOYSA-N 369.341 -0.194 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OCC 823919950 UAWNYGCWVNOMBA-UHFFFAOYSA-N 373.373 -0.378 30 20 FBED CS(=O)(=O)N1CCC(CC(=O)OCCn2ncc(C#N)c2N)CC1 847639978 COHUXPPWPYKCLF-UHFFFAOYSA-N 355.420 -0.058 30 20 FBED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnc(C#N)n1 862986157 XGERBLWVDPNQFA-NSHDSACASA-N 350.379 -0.098 30 20 FBED C#C[C@H](NC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F)[C@@H]1CCCO1 875326396 YXCYTZHAHALMDB-GARJFASQSA-N 359.308 -0.205 30 20 FBED C#CCN1CCC[C@H](NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)C1 884134992 YLKFKNKNXGXNQN-INIZCTEOSA-N 363.462 -0.536 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncccc2N(C)C)CC1 913788987 TVZRQWZRVJXHSU-UHFFFAOYSA-N 351.432 -0.627 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 942465012 ONUIETMHMAFQEL-UPJWGTAASA-N 364.402 -0.764 30 20 FBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 942590518 PHUPNTUBFFZCPM-RRFJBIMHSA-N 368.455 -0.433 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 944587950 XQPKPSJKBLCXNC-YDHLFZDLSA-N 363.418 -0.247 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C2CS(=O)(=O)C2)C1 954366816 RJODLRLBQSXJDN-KBPBESRZSA-N 356.444 -0.319 30 20 FBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 956223498 CEPLJZZFMOVMRC-CWRNSKLLSA-N 370.409 -0.183 30 20 FBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 960271094 XSMJRAWQNNSPNM-KSYCFECVSA-N 374.397 -0.258 30 20 FBED CN1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)CC1=O 960363695 UMCADFDCDJUZCI-OWCLPIDISA-N 359.426 -0.294 30 20 FBED Cc1nonc1C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 960578420 OVFPOIIJKNCMCU-QWHCGFSZSA-N 356.342 -0.057 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]2O)[nH]1 962346831 HKHLVYRTXKXBGP-KGLIPLIRSA-N 365.353 -0.227 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)co3)C[C@@H]2O)c[nH]1 962389326 SIWQWRKTLWEYRE-NEPJUHHUSA-N 357.326 -0.806 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 965712499 HDSHVWSJTFQUOX-UPJWGTAASA-N 351.403 -0.671 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2O)CC1 966004434 LJLBQGRTBMJGBU-SJORKVTESA-N 356.426 -0.272 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1O 967207308 FYMVRZAXOUHSAD-CTASWTNQSA-N 374.441 -0.300 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cn(C)nn4)[C@@H]3C2)CC1 972024624 HRADVBPICZGDIH-NVXWUHKLSA-N 370.457 -0.167 30 20 FBED C=CCn1cc(C(=O)N2CC[C@H]3CCN(C(=O)Cc4nc[nH]n4)[C@H]3C2)nn1 975714910 PKVROCJKUIIDMO-JSGCOSHPSA-N 370.417 -0.112 30 20 FBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)[C@H]2CC)nn1 984684152 FLWADRQXVFXHCI-OUCADQQQSA-N 360.418 -0.148 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)C2CS(=O)(=O)C2)C1 988359011 NGVNMEFWMGWIEP-CFVMTHIKSA-N 370.471 -0.071 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 994823141 VSIHKAOGPKAODW-CABCVRRESA-N 365.430 -0.329 30 20 FBED C#Cc1ccc(C(=O)NC2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)cn1 997094486 ZHVYCOXWJUDOKP-CVEARBPZSA-N 370.409 -0.183 30 20 FBED Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)c1=O 997937850 PASGYKAIELIDPH-DYEKYZERSA-N 369.385 -0.657 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1=O 1001268763 LGXTXXZAUSYRET-NCOADZHNSA-N 372.469 -0.046 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1007718395 ZNFDJYBDXNUHJG-IIYDPXPESA-N 351.403 -0.717 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1011314712 GPPMVTVQCRRCSN-IXDOHACOSA-N 362.474 -0.526 30 20 FBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)nn1 1023433907 XVFLAAGDLVYDHM-HUUCEWRRSA-N 354.370 -0.091 30 20 FBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1023992867 NWNLSHSTHCTKDN-UPJWGTAASA-N 358.460 -0.146 30 20 FBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)cn1 1024614158 YQQGGTJSEPHDGV-ZIAGYGMSSA-N 355.354 -0.095 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1024961001 XCLSOZVSPMLGNO-OWCLPIDISA-N 359.430 -0.954 30 20 FBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1039720492 AVLWSJLHPGTWJL-GLJUWKHASA-N 365.430 -0.993 30 20 FBED C[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)N1CCCCC1=O 1041065426 ROPBYJSVABLATI-IACUBPJLSA-N 358.402 -0.585 30 20 FBED CNC(=O)c1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)cn1 1041105676 SCUZPBOLRGMAQZ-ZIAGYGMSSA-N 367.369 -0.918 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)C34CCN(CC3)C4)C2)n1 1041111752 MSNZFJTWWMKBAQ-ZIAGYGMSSA-N 356.430 -0.328 30 20 FBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)cn1C 1041208347 CBVBBTAVRHCQHH-UKRRQHHQSA-N 354.370 -0.665 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nc3OC)C2)n1 1041283282 LOYTXSKCUXEGIC-CHWSQXEVSA-N 371.401 -0.368 30 20 FBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@]23CCC[C@H]2OCC3)C1 1041568394 JKXCHRLGSIZJHL-WBMJQRKESA-N 353.444 -0.108 30 20 FBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1 1042813410 SFQNTMWTLATXHQ-IACUBPJLSA-N 359.386 -0.070 30 20 FBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cn(C)c(=O)nc1O 1042830868 QHIMMQIBAYZAAX-CHWSQXEVSA-N 370.369 -0.614 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(c3nccc(OC)n3)C[C@H]2OC)nn1 1042994063 QLYLVHKIEFSNBX-DGCLKSJQSA-N 359.390 -0.104 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1043246048 BDDOTVASMCBFQB-NUXNZHGMSA-N 350.415 -0.306 30 20 FBED Cc1nccn1CC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043729176 JYWZEKOJEUOMGF-LSDHHAIUSA-N 353.386 -0.031 30 20 FBED CC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)C1 1043739328 LHEZKGJWXNAJOL-VNQPRFMTSA-N 370.413 -0.367 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)C2)c(F)c1 1044514814 ANGURCFXRHAVMV-MJBXVCDLSA-N 361.377 -0.183 30 20 FBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1051040940 SHHWJMJMKIDYJC-ZACQAIPSSA-N 351.447 -0.684 30 20 FBED N#Cc1cncc(N2C[C@H](n3ccnn3)[C@H](NC(=O)Cn3cccn3)C2)n1 1051423449 HEGQXTMSWWAJGE-KGLIPLIRSA-N 364.373 -0.617 30 20 FBED N#Cc1nccnc1N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccncn2)C1 1051444444 QWGILCXCZWDDBI-KGLIPLIRSA-N 362.357 -0.410 30 20 FBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c(F)c1 1056412614 KDTRLSFIEFMNPZ-VCDKRKBESA-N 359.361 -0.324 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)CN1CCCC1=O 1057732156 KMIFJVNOCSYEKG-CABCVRRESA-N 367.446 -0.473 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cncnc1O 1057927114 YMABJGVXVQOYOW-JSGCOSHPSA-N 364.402 -0.286 30 20 FBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1062212860 CBVRPNWARZDWOM-QLFBSQMISA-N 365.430 -0.444 30 20 FBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2n2ccnn2)C1=O 1070147122 UHGCVAWGCUCCCA-YUELXQCFSA-N 370.417 -0.557 30 20 FBED C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn(C)c(=O)cn2)CC1 1070375259 WWGPNLKNYPBUIN-KDOFPFPSSA-N 371.441 -0.498 30 20 FBED C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1073258619 LDOMQPWYFHWDHM-JCGVRSQUSA-N 367.446 -0.156 30 20 FBED CC(C)C#CC(=O)N1CCN(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 1073569514 VVFRAYDRIBVLFJ-YJBOKZPZSA-N 363.458 -0.195 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN([C@H]3CCN(C4CCC4)C3=O)C[C@H]2O)c[nH]1 1076905825 BSHWPBPMKPXIMY-OWCLPIDISA-N 357.414 -0.185 30 20 FBED Cn1nncc1C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O 1076946455 ZIRREWATBVKUCU-GDBMZVCRSA-N 356.386 -0.307 30 20 FBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 1078289404 ORBVIFZFLZLRKI-RRFJBIMHSA-N 356.382 -0.728 30 20 FBED 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CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016948 WHTAPKCRQCYGHG-LPGQDOADSA-N 365.478 -0.150 30 20 FBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782962047 QCNWISYMBQPUDQ-RHSMWYFYSA-N 368.455 -0.193 30 20 FBED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783894260 MWYCYDLRRYHROW-ZETOZRRWSA-N 358.464 -0.419 30 20 FBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)CC1 1784457364 NJLLAZMVKGRVPY-SFHVURJKSA-N 371.397 -0.011 30 20 FBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631512 VSSXFQBPZIEBJH-LRDDRELGSA-N 369.422 -0.715 30 20 FBED Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 1793256770 LJGRZXGOWWZYJN-CCWDJLKJSA-N 356.426 -0.034 30 20 FBED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800980323 FJPSMBSMZNIOME-FOUMNBMASA-N 357.476 -0.191 30 20 FBED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)CC1 1800987292 MVVYHXFBIKRGCB-WISYIIOYSA-N 356.444 -0.153 30 20 FBED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1835265378 PGPBMVHBCXZWSQ-KRWDZBQOSA-N 353.419 -0.092 30 20 FBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835852599 HRGYIMWCTQGVOU-INIZCTEOSA-N 363.374 -0.511 30 20 FBED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843325042 WFMSBTBSMMNJRE-LBPRGKRZSA-N 366.418 -0.011 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(CC(=O)O)CCOC2)c1 263122406 XDYCDZORWRZCQW-MRXNPFEDSA-N 366.395 -0.038 30 20 FBED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c1=O 270563899 KOPYZVVEIYOEAE-UHFFFAOYSA-N 367.409 -0.237 30 20 FBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](C(=O)NC)C1)c1cc[nH]n1 276534893 FLAGRQJELQLPJI-OHARDZCESA-N 365.390 -0.322 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc(=O)o[nH]1 280034067 FPBIJYAWVFROOG-VIFPVBQESA-N 365.371 -0.740 30 20 FBED CN/C(=N\CCCN1CCC[C@@H](C(N)=O)C1)NCCN1CCOCC1 303986758 UVNJJTUHNYJVLV-OAHLLOKOSA-N 354.499 -0.929 30 20 FBED CN1C[C@H](/N=C(/O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCC1=O 330158559 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CS(=O)(=O)N1CC(CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 492579514 ADKFXHQSRGNRQM-UHFFFAOYSA-N 350.400 -0.704 30 20 FBED CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 498870257 CFORBTHYPRGORZ-AWEZNQCLSA-N 370.413 -0.661 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](C)S(C)(=O)=O 532823892 DJAHMBSWCBAYSW-QWRGUYRKSA-N 373.456 -0.226 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C3(S(N)(=O)=O)CC3)CC2)c1C#N 563254745 BFFOTOOKQCQNIN-UHFFFAOYSA-N 352.420 -0.930 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc3c(c2)CCS3(=O)=O)CCO1 569002920 IIOHLGMPYYLWSZ-CYBMUJFWSA-N 371.440 -0.425 30 20 FBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCO[C@H](C#N)C1 571153972 CVRQOGQJALUSCS-QWHCGFSZSA-N 359.452 -0.419 30 20 FBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588128640 CEOKPIMCXAJECI-AWEZNQCLSA-N 365.478 -0.606 30 20 FBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1 600762587 HFGKSDVFJOOPIS-LBPRGKRZSA-N 372.428 -0.873 30 20 FBED C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)COC 661242791 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C#C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C)CC1)[C@H]1CCCO1 809306346 PODDNOHKYIPGTI-LSDHHAIUSA-N 357.414 -0.269 30 20 FBED C=CCCn1cc(C(=O)NS(=O)(=O)c2nnc(NC(C)=O)s2)nn1 820393365 PFRHCCOIHRTEJB-UHFFFAOYSA-N 371.404 -0.217 30 20 FBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 834493228 BXZWCXQARYKTAB-GWCFXTLKSA-N 369.472 -0.406 30 20 FBED N#CCCN1CCN(C(=O)C(=O)N2CCC(C3OCCO3)CC2)CC1 867432901 ALDDAAPSRUDFHS-UHFFFAOYSA-N 350.419 -0.344 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939762383 QLLZKTQLBMRLIT-MCIONIFRSA-N 363.414 -0.214 30 20 FBED CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1cn(C)c(O)n1 946577393 FRBCRTZJESLJFZ-DGCLKSJQSA-N 358.358 -0.405 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C)nn1 958295351 HIPQBWIJOOOXOV-GRYCIOLGSA-N 361.406 -0.888 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)ccn1 960613762 GIDOSRQNQCGKGX-LEWSCRJBSA-N 357.370 -0.608 30 20 FBED C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 960770686 SBINOWOZTQQHEL-UONOGXRCSA-N 371.401 -0.437 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn(C4CCC4)nn3)C[C@@H]2O)[nH]1 962341434 MMXCYDOKIWQAET-HIFRSBDPSA-N 369.385 -0.182 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@@H]2O)nn1 964276997 DWIOMLPPQUQRMF-NFAWXSAZSA-N 363.418 -0.418 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1O 964610462 DDSHUSDWTWDKFA-NDBYEHHHSA-N 365.386 -0.739 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1O 964615132 IBVOKBUTMFYSOR-WCVJEAGWSA-N 362.430 -0.139 30 20 FBED O=C1COc2ccc(C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3O)cc2N1 966471039 VOOWKECWJFFPBB-CABCVRRESA-N 369.377 -0.268 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2O)cn1 969358449 MORIRMXGRYVLPN-CVEARBPZSA-N 353.382 -0.349 30 20 FBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nn1 969913179 YKBOSAWMDYIBAS-OCCSQVGLSA-N 360.374 -0.614 30 20 FBED 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COCCN(C)CCN1C[C@@H](NS(=O)(=O)CC(C)(C)C#N)CC1=O 1464285597 KGSJBBIPXAUHGC-ZDUSSCGKSA-N 360.480 -0.365 30 20 FBED C=CCN(CCc1ccco1)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1573341779 QHCNZFBZAFXNKN-UHFFFAOYSA-N 371.357 -0.021 30 20 FBED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)CC)cnc1O)C(=O)O 1573369101 OMKQSAHNOBDXCM-LLVKDONJSA-N 358.372 -0.034 30 20 FBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573584336 UOKJLTFEVYVHMU-NSHDSACASA-N 371.405 -0.772 30 20 FBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H](C)OCc3cnn[nH]3)C2)CC1 1574966362 ANSQVCJERAANKK-CYBMUJFWSA-N 374.445 -0.618 30 20 FBED C[C@H](NC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1)C(=O)NCc1cnn[nH]1 1575676437 WOBVRIRPWQJJOF-ZUZCIYMTSA-N 370.417 -0.193 30 20 FBED COC[C@H](O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)C#N)CC1 1577017722 PPZAPRUNVADTIK-SWLSCSKDSA-N 350.423 -0.235 30 20 FBED N#CC[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(F)(F)F 1581857671 FLOSQRDUGNMRHX-ZCFIWIBFSA-N 358.240 -0.910 30 20 FBED N#Cc1cn(CCNC(=O)c2ccc(-c3nn[nH]n3)cc2F)c(=O)nc1O 1581876686 BMWODPXPSWKFGB-UHFFFAOYSA-N 370.304 -0.430 30 20 FBED N#Cc1cn(CCO)c(=O)n(Cc2ccc(F)c(-c3nn[nH]n3)c2)c1=O 1581877248 ZBPQIMTUDFENNF-UHFFFAOYSA-N 357.305 -0.759 30 20 FBED C#CCN(C)C(=O)C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 1588349129 CXOGWMIHWJCRIW-UHFFFAOYSA-N 367.413 -0.003 30 20 FBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[nH]n3)n2)C1 1588355544 JPMIJPPQFSRFHD-NEPJUHHUSA-N 356.390 -0.220 30 20 FBED C#CCOCCC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1 1588359167 ILACKBQTBIADSG-GFCCVEGCSA-N 356.390 -0.266 30 20 FBED C=CCCCS(=O)(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588603590 QHKHELFRQHWRRP-UHFFFAOYSA-N 355.380 -0.985 30 20 FBED C=CCOCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 1588671258 DXNFFYCYBZBNAS-MRXNPFEDSA-N 374.405 -0.375 30 20 FBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(=O)O 1588853835 JLPYDIMKBUHCLW-LBPRGKRZSA-N 360.363 -0.124 30 20 FBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592704176 ZIEAZZYZMBVUIY-OCCSQVGLSA-N 365.357 -0.559 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1602721330 FFEGQQBLJVVMRT-OBJOEFQTSA-N 367.417 -0.187 30 20 FBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1602726113 PHXPRSIBYUZZPI-RYUDHWBXSA-N 356.390 -0.363 30 20 FBED N#Cc1nc(NC(=O)CS(=O)(=O)C2CCCC2)[nH]c1-c1nn[nH]n1 1606355817 QCNXDEGEKZJNSG-UHFFFAOYSA-N 350.364 -0.243 30 20 FBED C=CCOC[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)O 1609452327 IISLIIXNFYWJBH-NEPJUHHUSA-N 364.420 -0.248 30 20 FBED CNC(=O)c1ccc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1628967592 GFHDCJSOEVVJBC-UHFFFAOYSA-N 355.354 -0.161 30 20 FBED CCN(CCC(=O)NC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1639869746 MYKLBQJTVOINNP-UHFFFAOYSA-N 352.416 -0.179 30 20 FBED Cn1cnnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1696873160 AVALAZKFNYKNQU-ZUZCIYMTSA-N 359.369 -0.152 30 20 FBED C=CCN1CC[C@@H](N(C)CCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O 1752060490 UEYUNNNJWGAVRH-HZSPNIEDSA-N 352.435 -0.756 30 20 FBED C#CCCCCC(=O)N1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1756958237 BXEKDCPFBRHEKN-UONOGXRCSA-N 355.460 -0.212 30 20 FBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1OC 1757142867 RGXVJUNORKNHPB-IACUBPJLSA-N 358.460 -0.025 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@@H]1O 1757173907 MINUNPQSFZWCJI-CVEARBPZSA-N 360.414 -0.511 30 20 FBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780746290 NUISNJAWUGTRNI-SFHVURJKSA-N 358.350 -0.076 30 20 FBED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1783178092 IWFYGAREXYRPRW-KPZWWZAWSA-N 373.413 -0.146 30 20 FBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111459 YQKGUJYBVLBGMA-SFHVURJKSA-N 374.397 -0.709 30 20 FBED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784527232 UGLZXGGNEVGREW-IHRRRGAJSA-N 350.419 -0.206 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C2 1793340291 RFLPMMZYUNHEAG-ARKGTOAJSA-N 352.431 -0.369 30 20 FBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800839163 FNDSTIYGKWZVDP-JLVBRIDZSA-N 368.430 -0.721 30 20 FBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc[nH]n2)n[nH]1 1817762813 XCVCFOGZUOBYAG-SNVBAGLBSA-N 357.330 -0.078 30 20 FBED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1830398078 OZBNVXBIIUZRAD-SFHVURJKSA-N 370.446 -0.254 30 20 FBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836056787 XZAQSCQIBCCAKC-SFHVURJKSA-N 358.398 -0.501 30 20 FBED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224791 YRSSXPXFFCDSBI-YOEHRIQHSA-N 371.434 -0.110 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840157343 LRNWZUYFGAXTBC-BZNIZROVSA-N 356.444 -0.260 30 20 FBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840841377 VKELKXFGJFZSOL-KBXCAEBGSA-N 363.414 -0.865 30 20 FBED N#CCC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1842622852 AYPVDRXNOOZBMO-UHFFFAOYSA-N 352.354 -0.180 30 20 FBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CC#N)CC#N)[C@@H](C)O)cc1 272482713 QVYSMEHGFPKJJU-OCCSQVGLSA-N 350.400 -0.102 30 20 FBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 272853277 OAOSFJGWOPFNGJ-UHFFFAOYSA-N 374.507 -0.217 30 20 FBED C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 281189701 BPFIXVCGDIBFQZ-AWEZNQCLSA-N 366.443 -0.009 30 20 FBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1CO 298072085 YOGCCNWZFQSGRO-HIFRSBDPSA-N 357.414 -0.169 30 20 FBED CCc1c(/C(O)=N/C[C@H]2COCCO2)cnc2c1c(=O)n(C)c(=O)n2C 328704925 YNSOQRWBZHAHSD-JTQLQIEISA-N 362.386 -0.085 30 20 FBED CS(=O)(=O)N1CCN(/C(O)=N/C[C@H]2CCCCS2(=O)=O)CC1 329649145 KCYFZDPKGFQSMB-LLVKDONJSA-N 353.466 -0.555 30 20 FBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC1 349539229 QNIMPWMIOIHBPJ-LBPRGKRZSA-N 352.482 -0.825 30 20 FBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 416661403 OSCAZSGEDKYTBS-VXGBXAGGSA-N 360.436 -0.534 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1(N)CCC1 420088545 HXKSTTYKAZJSQA-LBPRGKRZSA-N 357.418 -0.617 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)c1C#N 472237164 BAJGHMKYZFGQGP-UHFFFAOYSA-N 368.463 -0.423 30 20 FBED COCCCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 507729768 BTNZJRZVJOAMHV-HOTGVXAUSA-N 367.494 -0.094 30 20 FBED Cc1nc(S(=O)(=O)NCCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cn1C 511238688 FPUZPDUJYFGGRY-UHFFFAOYSA-N 362.375 -0.498 30 20 FBED CN(C)c1nccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 527851392 ZONARTAHCMNCQF-UHFFFAOYSA-N 370.373 -0.557 30 20 FBED N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 553421897 JFZVQGZUILIYFS-UHFFFAOYSA-N 350.400 -0.256 30 20 FBED C=CCN(C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 555985157 JGMZOWOKUNJZMM-UHFFFAOYSA-N 358.398 -0.481 30 20 FBED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 565368711 NQLWCDDQBRRZAX-PBHICJAKSA-N 363.462 -0.327 30 20 FBED Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 580296643 WILZQEMRJORJEN-CYBMUJFWSA-N 351.370 -0.499 30 20 FBED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)ncc1C#N 582011470 DOPAHTKPAXUJEZ-UHFFFAOYSA-N 358.402 -0.520 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O 646952528 ASWNJNUEXYEKQL-JTQLQIEISA-N 370.203 -0.023 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(N)cc1-n1nnnc1C 741152055 MHHLJHYAAQBJBA-UHFFFAOYSA-N 359.346 -0.278 30 20 FBED COCC#CCOC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 762825271 ICXCJWIANZDUMU-GFCCVEGCSA-N 366.395 -0.120 30 20 FBED C=CCNC(=O)CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 777516354 WCBPNIYVCDJOEX-GOSISDBHSA-N 374.397 -0.119 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)NCCS(C)(=O)=O)CC2)c1C#N 788096221 NPXAIUHQVOSXOU-UHFFFAOYSA-N 354.436 -0.524 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)c1C#N 788536274 JIHQRXLFMRGLSG-UHFFFAOYSA-N 373.417 -0.781 30 20 FBED C#CCC[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 799084143 VEVVDHUBJGAJDQ-WCQYABFASA-N 367.427 -0.657 30 20 FBED N#Cc1ccc(N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)cn1 801289978 OGYMNBFPACTODK-UHFFFAOYSA-N 356.386 -0.066 30 20 FBED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N(C)CCC#N 815274629 FVIFWOAVGGTZTH-JTQLQIEISA-N 354.388 -0.045 30 20 FBED 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CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1757181292 MKYQTCCCSYFAHT-MJBXVCDLSA-N 359.430 -0.422 30 20 FBED COc1cc(COCC(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ccn1 1757206721 VVAXTZXWOKYTAN-YUTCNCBUSA-N 362.386 -0.546 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1757347928 MDMCWQHPBMLSAQ-QWHCGFSZSA-N 360.418 -0.804 30 20 FBED C=C(C)CCC(=O)N1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C 1757511247 OYFBNPNWXFTBHM-XBFCOCLRSA-N 352.435 -0.172 30 20 FBED COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331422 UJGFIECXOJNNJE-QGZVFWFLSA-N 362.386 -0.051 30 20 FBED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)C(F)(F)F 1781321437 NPOKTKWMOGZZKK-CQSZACIVSA-N 366.336 -0.056 30 20 FBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1783681990 SOVDHLLWRGTPPL-IHRRRGAJSA-N 360.418 -0.192 30 20 FBED Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789037492 LJCJMLZXEUZVJE-IHRRRGAJSA-N 372.381 -0.534 30 20 FBED 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354.476 -0.070 30 20 FBED CC(C)[C@@H](C#N)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 470572958 COZQMGZXZJRNTP-SNVBAGLBSA-N 352.372 -0.094 30 20 FBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnn(C)c2C#N)CC1 475753673 GSZPCZBFZCQBCL-CYBMUJFWSA-N 360.418 -0.703 30 20 FBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C(=O)O)cnn1C 530150292 QVBISQDQMVMUJZ-SECBINFHSA-N 363.417 -0.518 30 20 FBED N#Cc1ccc(NC(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 533242396 YMLZKYDAYLMVSV-UHFFFAOYSA-N 355.398 -0.080 30 20 FBED C=CC[C@H](CO)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 557646078 KRPJDEMWKHSEMX-UOYPZJKHSA-N 365.390 -0.966 30 20 FBED C[C@@H](CN1CCCC1=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 583841653 FECIARRFSNRURO-LBPRGKRZSA-N 364.427 -0.036 30 20 FBED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 592288066 KLPYLGNFWUAZLC-JQWIXIFHSA-N 365.415 -0.274 30 20 FBED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 598979626 HJURZXGNZHASPN-ZJUUUORDSA-N 362.390 -0.310 30 20 FBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)O)cc1)C(=O)O 619471886 KSQOMCGHXMHGIP-CYBMUJFWSA-N 369.399 -0.011 30 20 FBED C=C[C@H](CO)NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 662167071 RCNDZEPAPNQYRO-CYBMUJFWSA-N 358.398 -0.503 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 731909435 WDJDJRCSAWKHKE-UHFFFAOYSA-N 352.347 -0.690 30 20 FBED C#CCCN1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 744364634 VOJDCOBAORFKAG-UHFFFAOYSA-N 357.414 -0.643 30 20 FBED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C#N)cc2)cn1 748252069 MEUCKOYCWRHQEF-UHFFFAOYSA-N 362.367 -0.004 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2Br)CC1 760242747 HOCNMTWIIAFDSZ-UHFFFAOYSA-N 368.235 -0.310 30 20 FBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 761036843 LHWQEUDIMRLXKG-UHFFFAOYSA-N 361.427 -0.418 30 20 FBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCOC 761836243 PHQWQXUUQAYNEX-UHFFFAOYSA-N 358.423 -0.491 30 20 FBED CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCS1(=O)=O)c1cc[nH]n1 772383860 FOSQSSDPIMJRCD-JTQLQIEISA-N 372.403 -0.613 30 20 FBED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 787788506 ZOIAQFUBKVKCGL-CYBMUJFWSA-N 353.386 -0.122 30 20 FBED COCCS(=O)(=O)CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788263084 QCOMAOPTDIIFJX-UHFFFAOYSA-N 369.447 -0.690 30 20 FBED C#CCCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 804082126 UNLVFWBFSWNVFI-UHFFFAOYSA-N 371.441 -0.234 30 20 FBED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NCC(=O)NCC#N)CCO1 807553985 OMHSZNNBIUMHEK-NWDGAFQWSA-N 369.422 -0.050 30 20 FBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 825721403 MWWRGAGSVDVTFB-QGZVFWFLSA-N 374.397 -0.088 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)c2cccc(OC)c2)CC1 831568386 HKTPPVXWTGZANM-OAHLLOKOSA-N 367.427 -0.660 30 20 FBED C#CC[C@H](NS(=O)(=O)c1cccc(C(=O)NCCOC)c1)C(=O)OC 841539818 LRXNBUJWCYMTOY-AWEZNQCLSA-N 368.411 -0.094 30 20 FBED NC[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCO1 842508973 GBNHPFSRQARCSR-NSHDSACASA-N 352.416 -0.699 30 20 FBED O=C(NCC#CCO)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 848040104 CGUDWCGGALAYLY-UHFFFAOYSA-N 356.375 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Cc1nn[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 960723140 CPDHVRLJWHCYQP-QWHCGFSZSA-N 355.358 -0.322 30 20 FBED C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CNC(=O)N1 960857267 KKARLZGMDURZRY-GRYCIOLGSA-N 370.837 -0.115 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H](C)n3cccn3)C2)cn1 961679798 ORYHNNIMPLMXOR-MAZHCROVSA-N 353.382 -0.178 30 20 FBED CC(=O)N1CC[C@@H](C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 962388678 CEWGWXBDWHWPAG-DFBGVHRSSA-N 359.386 -0.944 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC3(F)F)C[C@@H]2O)nn1 963311126 XAZQENDTXIRUJX-FOGDFJRCSA-N 355.345 -0.189 30 20 FBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 964237822 WGTNXSOMGVKRFN-WHOFXGATSA-N 362.386 -0.353 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1O 969412540 HRBOOHLSNZETPT-GUXCAODWSA-N 369.421 -0.576 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 973323616 HACNTDQVMIBEIU-ASHKBJFXSA-N 364.402 -0.717 30 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O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1791074288 OEXPXJIBLONKED-KKUMJFAQSA-N 372.381 -0.913 30 20 FBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1791266896 LVIRFYIPCJXHNV-MOLYVOAJSA-N 368.463 -0.468 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1793342240 HRUVBHQNTUHUNL-MPTYRVRUSA-N 360.414 -0.489 30 20 FBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793428331 LNTVDBCAJZAEPQ-QKDZRIPBSA-N 367.446 -0.321 30 20 FBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1821871562 DMDOFCMARYOVBA-QWRGUYRKSA-N 358.358 -0.367 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1841600078 DPTRBAVMHRIKIU-ZDUSSCGKSA-N 368.397 -0.020 30 20 FBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841755892 JYMOLMMGUQLNPQ-UHFFFAOYSA-N 355.394 -0.082 30 20 FBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1842918970 HBIXKLPPAXZQCB-LBPRGKRZSA-N 363.418 -0.420 30 20 FBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1 45813198 LGIBWHMRSVVGMN-LBPRGKRZSA-N 371.440 -0.518 30 20 FBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 264521982 AKKQDWQTNSUCCP-GFCCVEGCSA-N 371.440 -0.518 30 20 FBED COCCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C#N)c1 266105968 RLLBYTQYSQRTTO-CYBMUJFWSA-N 353.400 -0.024 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H](C)O)c1 274442953 HRTZFHYRCVLFBO-GWCFXTLKSA-N 354.384 -0.750 30 20 FBED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 286498701 NGGHGUAHLAQLCU-UHFFFAOYSA-N 354.476 -0.555 30 20 FBED CCOC(=O)CO/N=C(/C(=O)N1CCOC[C@@H]1CCOC)c1cc[nH]n1 292164485 LICYEEXDBPAKJH-OGAOFSLMSA-N 368.390 -0.043 30 20 FBED N#Cc1cc(Br)cnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 297527585 OXZIKURDDWMDIX-JTQLQIEISA-N 350.176 -0.137 30 20 FBED Cn1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1C(=O)O 327052811 XWJKYPIQEHNPTI-UHFFFAOYSA-N 370.431 -0.040 30 20 FBED CO[C@H]1C[C@@H](/C(O)=N/[C@@H]2CC(=O)N(CCN3CCOCC3)C2)N(C)C1 328917990 ADSSFFPXOMHBMZ-ILXRZTDVSA-N 354.451 -0.405 30 20 FBED CN1CN(/C(O)=N/C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1=O 329637084 VLWTXVFUWOYTKI-UHFFFAOYSA-N 370.435 -0.781 30 20 FBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3C(O)=NC[C@@H]3C2)cc1 330300006 MTBPTTSYWPCUJD-CQSZACIVSA-N 362.411 -0.087 30 20 FBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 332363796 BSHKVFYEOSGQNM-WCQYABFASA-N 354.436 -0.159 30 20 FBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 349514702 AHCPTEIBYHIECB-UHFFFAOYSA-N 353.466 -0.396 30 20 FBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 372671213 CVKXYIOQTIBTAZ-LLVKDONJSA-N 354.363 -0.085 30 20 FBED CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 410159286 UJDBCKBUGUVOCF-XQQFMLRXSA-N 365.477 -0.257 30 20 FBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 430419054 RFOXFMOXDYRPEI-HUUCEWRRSA-N 353.463 -0.001 30 20 FBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O)CC2 433640638 ASQDOYVSYKMFJB-CYBMUJFWSA-N 362.411 -0.273 30 20 FBED C=CCNC(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439283401 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C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H](C)N1CCOCC1 588063039 NKDQJYYGAFSYAL-ZIAGYGMSSA-N 351.451 -0.684 30 20 FBED N#Cc1ccc(S(=O)(=O)CCNCCCN2CCC[C@H]2C(N)=O)nc1 600752941 FLLFFCPKIRVQNN-AWEZNQCLSA-N 365.459 -0.344 30 20 FBED C#CCNC(=O)[C@@H](C)N1CCN(Cc2nnnn2-c2ccccc2)CC1 731847668 LSTAUNMUTGVEGE-OAHLLOKOSA-N 353.430 -0.082 30 20 FBED C=CCn1nnn(CN(CCN2CCOCC2)CC(=O)OC)c1=S 746380371 RDKVNCGLYMGQLR-UHFFFAOYSA-N 356.452 -0.240 30 20 FBED COCc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 771889851 LBDWBLRNAJRDAN-UHFFFAOYSA-N 356.360 -0.864 30 20 FBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(C=C)c2)c1=O 772310711 IPBGQUNXGHLKKM-UHFFFAOYSA-N 367.434 -0.131 30 20 FBED C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCF 800598484 NONJBYTXITZLMK-SNVBAGLBSA-N 370.406 -0.294 30 20 FBED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC1 803936608 LSWBUNJDDSCBGR-OAHLLOKOSA-N 374.463 -0.240 30 20 FBED Cn1cnn(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 816099200 MWXCBKZGRBRZCJ-NWDGAFQWSA-N 364.406 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-0.317 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1O 968346106 SKMUIEWDSBNAFV-ILXRZTDVSA-N 358.398 -0.814 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 976577196 BHCFFWJANMATEV-UJOWSUJOSA-N 362.430 -0.388 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 977087093 CQNOJEMXDVLSJZ-UJOWSUJOSA-N 362.430 -0.388 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 979216231 IXGLFPIVGMTZTN-BJJPWKGXSA-N 350.419 -0.340 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C)CC1 989576749 RURLOPZSUOLRNW-VHDGCEQUSA-N 361.446 -0.881 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)C(F)F)C2)C1 995501830 JLKJTARQDHMSDY-JLLWLGSASA-N 357.357 -0.230 30 20 FBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnn(C)n2)nn1 996513015 BGOKFUNOCOMRPS-SCVCMEIPSA-N 357.378 -0.837 30 20 FBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC(=O)NC2)nn1 996513769 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CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)NCC#N 1574047330 ZRYCRHFBNVAZMB-LBPRGKRZSA-N 359.394 -0.821 30 20 FBED C#CCN(c1nnc(Cc2ccncc2)n1CCN)[C@@H]1CCS(=O)(=O)C1 1574673928 RMOHEFNBZUCJNG-OAHLLOKOSA-N 374.470 -0.151 30 20 FBED C=CCNC(=O)Cn1c([C@@H]2CCCNC2)nnc1N(C)[C@@H](C)CC(N)=O 1574936435 LMAYNGBAENTZOC-QWHCGFSZSA-N 363.466 -0.253 30 20 FBED C=C(C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)[C@@H](C)OCc1cnn[nH]1 1575040227 ZQGFOTLADWPYNB-DGCLKSJQSA-N 353.423 -0.095 30 20 FBED C[C@H](OCc1cnn[nH]1)C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O 1575877522 QGPDHNDJDAIQMF-JCURWCKSSA-N 370.413 -0.057 30 20 FBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579193838 TYTNOLWQFLVOJK-UHFFFAOYSA-N 353.346 -0.103 30 20 FBED COCCN(CCOC)C1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579810040 MNGYOKWKZUGPSS-UHFFFAOYSA-N 359.394 -0.688 30 20 FBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc[nH]1 1581884795 BDRRWPDRECKLBF-AOOOYVTPSA-N 350.346 -0.349 30 20 FBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)c(C)n1 1588358298 QMWGJLBKYRNXPT-QWHCGFSZSA-N 373.417 -0.160 30 20 FBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O 1588361275 JCMWOGUWQBKGKL-KGLIPLIRSA-N 371.401 -0.643 30 20 FBED C#CCSCCNC(=O)C(=O)NCc1nc(-c2nn[nH]n2)cs1 1588364006 NIDPHXAROOIFNX-UHFFFAOYSA-N 351.417 -0.578 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)cn1 1588365747 DBFRUSKRZPPISR-ZDUSSCGKSA-N 361.369 -0.219 30 20 FBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@@H]32)cn1 1588373419 JKSHWZSEOUMYKG-VIKVFOODSA-N 373.380 -0.102 30 20 FBED C=CCOCCN1CC2(C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CO2)C1 1588682171 CQDUMVFPFKABFP-ZDUSSCGKSA-N 373.417 -0.030 30 20 FBED N#CCN1CCC(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 1592677766 SJXCWNHEBNURDE-UHFFFAOYSA-N 362.419 -0.224 30 20 FBED COCC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 1597539447 UUBUEZGOZMDBHM-ZDUSSCGKSA-N 353.400 -0.520 30 20 FBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)C[C@H]1C 1598896870 RRRVHWHREHXOJT-GHMZBOCLSA-N 351.359 -0.529 30 20 FBED C=CCOCC(=O)N1C[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2C1 1602867822 AFIJALOZXYCKJH-TXEJJXNPSA-N 356.390 -0.246 30 20 FBED Cc1cc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)nn1CCC#N 1605712354 DZHIINOESYZCQT-UHFFFAOYSA-N 356.354 -0.302 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@H](C(=O)O)C2)C1=O 1609373448 AUPVAXLLJLQRIO-SECBINFHSA-N 355.372 -0.761 30 20 FBED N#Cc1cccc(CN2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 1690078126 ITKDVJCIQXFVNY-SJORKVTESA-N 355.442 -0.087 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 1757188117 MMTIRKWTYKVGNB-KGLIPLIRSA-N 361.373 -0.425 30 20 FBED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557758 KXRMOYHICZSRAK-XGWLTEMNSA-N 352.387 -0.689 30 20 FBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1786365361 GTNDNHPPXHUNPZ-GZIXRCOHSA-N 357.414 -0.025 30 20 FBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1793355612 IPMACASMFPOKAB-FQUUOJAGSA-N 363.418 -0.391 30 20 FBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)N1CCN(C)CC1 1795085214 BOMIVSJDSHFMKT-PNBKFKSVSA-N 363.462 -0.874 30 20 FBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830513650 TXHXBQJSIJLSAH-IIDMSEBBSA-N 368.430 -0.748 30 20 FBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1834768703 KGKLMFBTTMWRLW-SFHVURJKSA-N 373.413 -0.221 30 20 FBED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158616 NXPLXLDJGSWESG-LRDDRELGSA-N 374.459 -0.286 30 20 FBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc3cn[nH]c3cn1)C2 1846195978 WVRTYTAGNWPQMM-UHFFFAOYSA-N 353.338 -0.137 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(COC)C(=O)OC)c1 268158620 UYEFSBPROOXLJD-INIZCTEOSA-N 368.411 -0.094 30 20 FBED N#CCCCOc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 273029356 XUHLSBKENMXQPI-UHFFFAOYSA-N 373.413 -0.144 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)C1=O 275532344 FXMLAAZVWPGWDQ-DIFFPNOSSA-N 367.402 -0.355 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)[S@](=O)[C@H](CC)C2)C1=O 287289407 LAADFZOLRLIOCI-XNZGRGRPSA-N 355.416 -0.279 30 20 FBED COC(=O)C[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 289179285 IDHYBHSCIZFFKR-GFCCVEGCSA-N 366.399 -0.910 30 20 FBED O=C(Cn1cnnn1)N1CCN(C(=O)NCC#Cc2ccccc2)CC1 298600621 ULJXYSRSNRAISL-UHFFFAOYSA-N 353.386 -0.421 30 20 FBED N#CCCN(CCN1CCOCC1)S(=O)(=O)N1CCC(C(=O)O)CC1 326592178 GNMFQWQPQXZXCF-UHFFFAOYSA-N 374.463 -0.424 30 20 FBED O=C(CN1CCCC1)N1CCN(/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1 328928172 GITPDXOKYHFCMI-CYBMUJFWSA-N 358.464 -0.673 30 20 FBED CN1CCC[C@H]1C(=O)N1CCN(/C(O)=N/CCN2CCN=C(O)C2)CC1 329299528 LZZUKWBKNCYDMU-AWEZNQCLSA-N 366.466 -0.589 30 20 FBED CN1CCN(C(=O)c2cc(N/C(O)=N/C[C@@]3(O)CCOC3)ccn2)CC1 329859223 WNNWJHOKGNPTLC-KRWDZBQOSA-N 363.418 -0.054 30 20 FBED C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H]1O 349484664 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CN(CC(=O)N1CCc2nn[nH]c2C1)S(=O)(=O)c1ccc(C#N)cc1 469415016 ZBVNVTAERVXHSX-UHFFFAOYSA-N 360.399 -0.118 30 20 FBED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)cc1 485095508 KVYLYGFONSMAHB-INIZCTEOSA-N 370.413 -0.001 30 20 FBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 489105936 UCZOWRAXKDXPNY-UHFFFAOYSA-N 373.409 -0.052 30 20 FBED C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 490465383 UFRHOENCLSTWJX-GFCCVEGCSA-N 350.423 -0.420 30 20 FBED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 505698705 AQOBLBIPECYLGG-UHFFFAOYSA-N 357.439 -0.247 30 20 FBED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 511910947 QPERPPJCDVCOSN-UHFFFAOYSA-N 364.450 -0.644 30 20 FBED COCCCNC(=O)CN(C)CCS(=O)(=O)c1ccc(C#N)cn1 521938539 IFWGUYKWHCABSK-UHFFFAOYSA-N 354.432 -0.189 30 20 FBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)CCCCC#N 545349340 JJKYJXWOHYYCIH-UHFFFAOYSA-N 360.480 -0.268 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc(CO)nn2)C1 559133981 VPYAGITYIPHTDG-AWEZNQCLSA-N 372.451 -0.486 30 20 FBED CC(C)N(CCCNC(=O)Cn1cnc(C#N)cc1=O)S(C)(=O)=O 578069450 DDHNMKXPGJBAIR-UHFFFAOYSA-N 355.420 -0.709 30 20 FBED CCCCN(CC(N)=O)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589464733 GERAQXSOEPZAJI-UHFFFAOYSA-N 352.416 -0.049 30 20 FBED N#CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 592849275 HYMHKYNWJYSNMW-HNNXBMFYSA-N 363.399 -0.282 30 20 FBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 597366593 BGMVGDXFXPRCEV-KBPBESRZSA-N 365.411 -0.555 30 20 FBED CC1[C@H](C(=O)N=c2[nH]n(C)cc2C#N)[C@H]1C(=O)N=c1[nH]n(C)cc1C#N 598817670 VYXGWAPKQOQYKT-RYUDHWBXSA-N 352.358 -0.800 30 20 FBED COC(=O)COCCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 600046565 JZZLDCUXNHRHMH-UHFFFAOYSA-N 353.306 -0.050 30 20 FBED CC#CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 649186410 YQMVHSXCJQONDU-YPMHNXCESA-N 356.448 -0.406 30 20 FBED CC(C)NS(=O)(=O)CCNC(=O)NCCNc1ncccc1C#N 746972208 JSQQOITZCFDFIS-UHFFFAOYSA-N 354.436 -0.008 30 20 FBED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 770727470 FAWJYVJVKVQBEB-UHFFFAOYSA-N 371.503 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353.306 -0.824 30 20 FBED C#CCOCCNC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 823856054 GSUMOLLOJMTGQU-LBPRGKRZSA-N 371.405 -0.473 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC23OCCO3)CC1 831574460 HODOGHQWDLPYKP-CYBMUJFWSA-N 357.432 -0.859 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCOCCNC(N)=O)cc1 839024128 SQJXNGKEVRPKKM-UHFFFAOYSA-N 369.399 -0.560 30 20 FBED C=C[C@H](O)C(=O)N(C)CCN(CCN1CCCCC1)C(=O)[C@@H](O)C=C 854429085 PKGRQEJICOLRNC-HOTGVXAUSA-N 353.463 -0.147 30 20 FBED Cn1cc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)cn1 860649910 RASUOSWHORWNQA-SNVBAGLBSA-N 351.388 -0.477 30 20 FBED C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 885508776 KVZITHAJMHQVSJ-GFCCVEGCSA-N 357.457 -0.139 30 20 FBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 890519092 DMGVXDNOSJQPDR-AWEZNQCLSA-N 364.423 -0.036 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 913047036 PCLJAWOUPPSCMO-LBPRGKRZSA-N 370.452 -0.237 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 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30 20 FBED C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)[C@H](CO)C2)C1=O 886369254 AEIZIAQDCPBURA-YESZJQIVSA-N 362.474 -0.461 30 20 FBED COCCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 916889790 DOGFWUUOWVJNDM-GFCCVEGCSA-N 354.388 -0.826 30 20 FBED O=C(NCC#CCO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 923776402 YXTVNFNTWCJIEG-UHFFFAOYSA-N 355.391 -0.163 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 938669495 LUTWQQZEQVANEI-OAGGEKHMSA-N 360.458 -0.488 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cn1 941882140 ROOAYUHLPQOBPT-QLFBSQMISA-N 356.382 -0.574 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2OC)cc1 944337694 XADDSJIVNDTOIB-BZUAXINKSA-N 355.394 -0.098 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCNC3=O)[C@H](OC)C2)cc1 944415719 XRYUVNVHTLVGJJ-ARFHVFGLSA-N 355.394 -0.240 30 20 FBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)CCO2)nn1 944600828 VALLGUNXEAMNNI-DCGLDWPTSA-N 361.402 -0.542 30 20 FBED 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C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC(=O)NC2)nn1 996513763 JXOFQCUWZIYLSR-CXTNEJHOSA-N 372.429 -0.148 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cn4cccnc4n3)C[C@H]2O)c[nH]1 1023466053 OSHOUVRTKBABOH-TZMCWYRMSA-N 365.353 -0.456 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cccn3CC)C[C@H]2O)nn1 1023771645 YMDUICPIFUQJHQ-IUODEOHRSA-N 358.402 -0.099 30 20 FBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C4CCC4)nn3)C2)[nH]1 1023945662 UXEPCFNUQJMLKN-UKRRQHHQSA-N 369.385 -0.182 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O 1024229144 OIKDZRPBGLRONP-DGCLKSJQSA-N 360.370 -0.419 30 20 FBED N#Cc1nc(=N[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]2n2ccnn2)cc[nH]1 1039585900 CRUXYTDZEBLSQH-OLZOCXBDSA-N 365.357 -0.544 30 20 FBED CCc1nnc(C)cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041226728 RUWRCTSWZVMFKY-HUUCEWRRSA-N 353.386 -0.011 30 20 FBED C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C)N1C(=O)CCC1=O 1042595573 GLMURABLVYRCPM-GRYCIOLGSA-N 356.386 -0.173 30 20 FBED CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O 1042971728 OSIIAUJVYURQDI-XNJGSVPQSA-N 361.377 -0.062 30 20 FBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1ccnc2[nH]nnc12 1043029037 VOOMJGAPLOVBPR-GHMZBOCLSA-N 365.357 -0.352 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1043256104 YABQBGBHPBXPIM-OLZOCXBDSA-N 353.419 -0.817 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1043257664 VTWNFVXHKVMSGW-YPMHNXCESA-N 364.402 -0.590 30 20 FBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 1043260771 FAIPHWQETHGSRJ-JKSUJKDBSA-N 357.410 -0.086 30 20 FBED N#Cc1cncc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2CCNC(=O)C2)n1 1043705467 CLVXGLPMMLXMOW-KWCYVHTRSA-N 356.386 -0.710 30 20 FBED Cc1csc(=O)n1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043949731 BXKNPHHTKHYVFE-NEPJUHHUSA-N 360.399 -0.754 30 20 FBED Cc1ccn2ncc(C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3O)c2n1 1044081242 WBWGWLWCMPEIKR-OLZOCXBDSA-N 364.369 -0.321 30 20 FBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n1 1044096261 DBGLPAKYPWZTJA-KGLIPLIRSA-N 367.369 -0.918 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCN(C)CCC)C1 1044291184 NHAMHDAWWPJSTA-CABCVRRESA-N 353.463 -0.001 30 20 FBED Cn1nnc2cc(C(=O)N[C@@H]3CN(c4ccncc4C#N)C[C@@H]3O)cnc21 1044342417 VXAXFYFEVPQNHB-HIFRSBDPSA-N 364.369 -0.391 30 20 FBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1044580607 FEQILPWOWSXXAT-KYOSRNDESA-N 368.401 -0.742 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]2(CC)CCNC2=O)C1 1046828636 VHQLKAKRBNODFH-FHSNZYRGSA-N 365.430 -0.817 30 20 FBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1c1cnc(C#N)cn1 1049033586 RVKAGIWJWWCUSV-SDDRHHMPSA-N 357.374 -0.580 30 20 FBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 1055457484 FSKOQRREKQGAGX-WYUUTHIRSA-N 355.358 -0.828 30 20 FBED N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)CN3C(=O)CNC3=O)C2)n1 1055536666 MCBHGZDWWJXVKH-GTNSWQLSSA-N 369.385 -0.625 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057436353 PHISHSCHCXGYBQ-KGLIPLIRSA-N 351.407 -0.804 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 1058749022 APAUFEMJLLYQAZ-IGCXYCKISA-N 353.419 -0.817 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)COC1CCOCC1 1058899086 OWPNWKNYPGHHNW-CVEARBPZSA-N 370.446 -0.290 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CNC(C)=O)C2)C1 1068402511 ZMZFMIPFENYILF-HOCLYGCPSA-N 365.430 -0.457 30 20 FBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1069949246 MJNDCQMCIMMZID-KFWWJZLASA-N 367.417 -0.398 30 20 FBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1070070815 UZCGEQNIYOFQJA-BZPMIXESSA-N 357.378 -0.990 30 20 FBED O=C1CC[C@@H](CN[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)CCN1 1070192689 JTUOBTPSWWNRQH-ZACQAIPSSA-N 370.457 -0.051 30 20 FBED N#CCN[C@@H]1CN(C(=O)c2cc(N3CCCC3)ncn2)C[C@@H]1n1ccnn1 1070275293 FAHPZMIATAOUHR-CABCVRRESA-N 367.417 -0.153 30 20 FBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1070586843 SGRCUGILEWPLJZ-MKRTWGBSSA-N 357.414 -0.149 30 20 FBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)Cn4ccc(C)n4)C3)[C@@H]2C1 1070919962 ZSIMGARYIKKMMZ-OAGGEKHMSA-N 357.414 -0.069 30 20 FBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C3CS(=O)(=O)C3)C2)cc1F 1077055087 JBCZITDJYXKXON-HUUCEWRRSA-N 367.402 -0.597 30 20 FBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ncccc3OC)C2)C1=O 1078077498 DLHAIQXSCHUOMH-HZSPNIEDSA-N 360.414 -0.348 30 20 FBED Cn1cc(C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)ncc1=O 1079253081 ZHXOXVKSBQAYMN-DZGCQCFKSA-N 357.414 -0.143 30 20 FBED C#Cc1cccc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c1 1083349198 RDOLQEDRRFMMJF-CVEARBPZSA-N 353.382 -0.195 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)c1 1083392397 GBFTTXJGPCUHDN-GDLCADMTSA-N 352.416 -0.904 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(Cc3nccnc3C)C[C@@H]2O)nn1 1083849134 PAQZPSQFRQTGAP-ZBFHGGJFSA-N 357.418 -0.072 30 20 FBED 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CN1CCOC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1021321973 KLJNHLRVUYVTEF-NUEKZKHPSA-N 357.414 -0.110 30 20 FBED O=C1NC(=O)C2(CC(C(=O)N3C[C@@H]4CCN(C(=O)C#CC5CC5)[C@@H]4C3)C2)N1 1021588241 QQUHASGYQJISKR-TXCIGDHXSA-N 370.409 -0.553 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O 1023939951 UUUKOQCMWUILME-WGBDABJCSA-N 352.416 -0.179 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1O 1024358374 JPEBWLRNYRKWKD-VHDGCEQUSA-N 362.455 -0.149 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1024592574 ZFTYNPJJZKNOSQ-NQMVMOMDSA-N 361.387 -0.611 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC(=O)N3C)C[C@H]2O)cc1 1024982864 AVWCVNNJUFDRLS-IXDOHACOSA-N 369.421 -0.020 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@H]1O 1025709368 LNWDCEUPSVLGNY-MIGQKNRLSA-N 360.414 -0.014 30 20 FBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1035506269 QAAFQAYBCUKECV-YESZJQIVSA-N 363.458 -0.003 30 20 FBED N#Cc1ccc(N2C[C@H]3C[C@H]4CN(C(=O)[C@H]5C[C@H]5C(N)=O)C[C@@]4(C2)O3)nn1 1039652201 RXYBGNOMJDYGAQ-TUZUABPUSA-N 368.397 -0.724 30 20 FBED N#Cc1ccc(N2C[C@@H]3OC(=O)N([C@@H]4CCN(C(=O)C(N)=O)C4)[C@@H]3C2)cn1 1039659439 YURMYKYAVHSBSZ-MCIONIFRSA-N 370.369 -0.951 30 20 FBED C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1039819256 OHDBZGHFPDNOGG-VEVIJQCQSA-N 367.446 -0.299 30 20 FBED N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1040626886 MPUKHUJBKFHHFN-NJZAAPMLSA-N 368.397 -0.021 30 20 FBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)C[C@H]4CC(=O)NC4=O)[C@@H]3C2)n1 1040664024 ASMPXKAWDJJYGJ-DMDPSCGWSA-N 354.370 -0.562 30 20 FBED C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1040920757 FHXRCSUJYTWGLW-JCGVRSQUSA-N 367.446 -0.299 30 20 FBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1040933803 RTHBXOXGPOXCRK-PMUMKWKESA-N 367.446 -0.617 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cc(OC)no2)C1 1040950074 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-0.456 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cc4cccn4cn3)C2)C1=O 1077212032 PWXQJANPBKTTBQ-BRWVUGGUSA-N 369.425 -0.104 30 20 FBED N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 1077279281 GCAHRCZQSGPTOG-DAXOMENPSA-N 360.389 -0.115 30 20 FBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O 1077346585 FJCHHKAXSWKWBI-OWCLPIDISA-N 361.446 -0.552 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](NC[C@H]3CCS(=O)(=O)C3)[C@H](C)C2)nn1 1082791270 JADFLDBLPOGXET-MGPQQGTHSA-N 367.475 -0.051 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cc(C)nnc3C)C2)C1=O 1083491258 VSVRRWJNZGKRTD-OAGGEKHMSA-N 359.430 -0.345 30 20 FBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cnn(C)c3)C2)O1 1086996471 GLDGXGKUNMJWOM-XUWVNRHRSA-N 374.445 -0.537 30 20 FBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@H]1O 1090445336 IETALVGXFBZHOJ-RAIGVLPGSA-N 350.423 -0.497 30 20 FBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)COCc3ccnn3C)C2)c(C#N)cn1 1090502665 WBVSPQZBGZFQKR-NVXWUHKLSA-N 370.413 -0.122 30 20 FBED CCC[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)S(N)(=O)=O 1090511822 YGMAFOPCMXXJIY-MRVWCRGKSA-N 367.431 -0.924 30 20 FBED COCCOCCC(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1091046152 COMXNFSXAQYAOU-LSDHHAIUSA-N 361.402 -0.183 30 20 FBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091144943 VVGFEOHSAMWJKI-MCIONIFRSA-N 358.402 -0.515 30 20 FBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1n1ccnn1 1092091181 WBAQULYHWMLAME-GLQYFDAESA-N 368.401 -0.385 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C1CS(=O)(=O)C1 1092552017 UKGBELAZGUAKGO-VXGBXAGGSA-N 363.443 -0.029 30 20 FBED COCC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092921774 INKVXTFDWPEXCG-GHYVTOPFSA-N 358.402 -0.275 30 20 FBED COCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092922513 WBQSYINUHSZYRE-ZZVYKPCYSA-N 358.402 -0.275 30 20 FBED CC#CCN1CCN(C(=O)c2ccn(C)c(=O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641701 VVRJLEZPPHKEQZ-LSDHHAIUSA-N 363.439 -0.668 30 20 FBED N#CCN1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641873 FSPBKKGPZZTHCJ-UONOGXRCSA-N 362.411 -0.768 30 20 FBED C#CCN1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094645641 SNQKIXFDXBBTIN-RFBLXINOSA-N 352.456 -0.256 30 20 FBED C=CCN1CCN(C(=O)CN2CCCCCC2=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1094679168 KJKWXIQWSIIJQC-LSDHHAIUSA-N 369.487 -0.115 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3cnnc(O)c3)C[C@]2(C)C1 1101274738 UQVMTIAEJIVGTB-WRSAYESZSA-N 357.414 -0.286 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N(C)C3)C[C@]2(C)C1 1101476571 ZSPLFBALELWYJT-CLCXKQKWSA-N 360.458 -0.616 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CNC(=O)C2CC2)C1 1101764217 XEHBVBQHLNWKIS-UMVBOHGHSA-N 350.463 -0.113 30 20 FBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1C 1101964581 RUIFSTMCSJFGMN-QLFBSQMISA-N 359.492 -0.352 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1102107356 KWNDWWFIMAZYMU-VNHYZAJKSA-N 369.487 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C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573581898 ADRJDERKQBSXIV-GXSJLCMTSA-N 358.362 -0.688 30 20 FBED C#CCOc1ccc(C(=O)N[C@@H]2CN(CCc3cnn[nH]3)C[C@@H]2O)cc1 1575012613 DOAYSIYGIJFPTI-SJORKVTESA-N 355.398 -0.166 30 20 FBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)CC(=O)NCc1cnn[nH]1 1575596292 SBMCAXXYGBQRIK-JTQLQIEISA-N 372.389 -0.712 30 20 FBED C[C@H]1[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 1575918683 DPBUIHONBPPWQZ-ONGXEEELSA-N 364.373 -0.007 30 20 FBED C#CC[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1588331341 NTTMXEHXDYPJDQ-QMMMGPOBSA-N 352.332 -0.563 30 20 FBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353478 UTLYCCGYFVSRIH-WYGGZMRJSA-N 356.390 -0.792 30 20 FBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1588358155 UDIDYBLNAMKQRL-KOLCDFICSA-N 363.353 -0.672 30 20 FBED CCOC(=O)C(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)cn1C 1596509836 ZSFWASQCVPOAOW-UHFFFAOYSA-N 357.344 -0.630 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)c1 1601121704 WVUOILYDDKBSGW-NWDGAFQWSA-N 367.383 -0.869 30 20 FBED N#Cc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(F)c1 1609498905 WRXCRWOUBMAXRW-UHFFFAOYSA-N 356.325 -0.032 30 20 FBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CC1 1610633531 OSRWQMPIRRJKSQ-BETUJISGSA-N 357.370 -0.419 30 20 FBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@H]1O 1756993592 HFWWBBLNTREGPB-ARFHVFGLSA-N 351.447 -0.698 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncc3ccccc32)C1 1757023703 FPHJGBYHLOMPKI-FRFSOERESA-N 370.409 -0.238 30 20 FBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](C)C1 1757071668 FLOBUYIBRUNHRY-CHWSQXEVSA-N 358.402 -0.168 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1OC 1757120159 OAYHREYHIFCCTE-VXGBXAGGSA-N 362.448 -0.646 30 20 FBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@@H]1O 1757173680 GDUUNPCAQJUODG-MCIONIFRSA-N 362.382 -0.404 30 20 FBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1783556001 MPVKAXGPPQXTPN-CXAGYDPISA-N 350.371 -0.527 30 20 FBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1783884370 CIFKYGURLRNGAW-ZUZCIYMTSA-N 352.416 -0.056 30 20 FBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1785423361 UIFOSTWTZTUDJP-QGZVFWFLSA-N 360.370 -0.255 30 20 FBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788566192 ZEGJZCDBNLYBNM-RFGFWPKPSA-N 350.419 -0.693 30 20 FBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1794207077 NYKWUOKCGANQJL-USZNOCQGSA-N 359.386 -0.474 30 20 FBED C#CC(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834657331 XMQCIHIJHMRWCR-UHFFFAOYSA-N 351.476 -0.182 30 20 FBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1839195517 XBNFLGXTFLWLRD-GOSISDBHSA-N 368.430 -0.745 30 20 FBED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841627931 XBJOJEKAYORLGR-OAHLLOKOSA-N 373.519 -0.569 30 20 FBED C#CCNC(=O)COC(=O)c1ccc(C(=O)OCC(=O)NCC#C)cc1 8099593 BLWINOISWSIOHQ-UHFFFAOYSA-N 356.334 -0.501 30 20 FBED Cn1cc(S(=O)(=O)N(CCC#N)Cc2ccco2)c(=O)n(C)c1=O 70828413 LSTVEJGLCBQPFK-UHFFFAOYSA-N 352.372 -0.218 30 20 FBED COC[C@H](C)N/C(N)=N/CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 264136109 ZRBQSGQAQWYGNY-JTQLQIEISA-N 359.408 -0.188 30 20 FBED COCCN(C(=O)Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 273415690 FMKFMKCXXJACML-CYBMUJFWSA-N 367.427 -0.310 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)C1=O 275532346 FXMLAAZVWPGWDQ-PIGZYNQJSA-N 367.402 -0.355 30 20 FBED C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc(C#N)cc1 284025278 OMNMYHVBGYFVIM-PBHICJAKSA-N 374.441 -0.113 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NC)c2)C1=O 284057385 KJTDGVJTPJAWHH-HNNXBMFYSA-N 372.425 -0.092 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1ncn(C)c1=O 293415846 PFPLWNCVSMMEAG-GFCCVEGCSA-N 356.390 -0.629 30 20 FBED COCC(=O)N1CCN(/C(O)=N/[C@H]2CCN(CC(F)(F)F)C2=O)CC1 330732727 JSOQBVJXIKQGMK-JTQLQIEISA-N 366.340 -0.146 30 20 FBED CNS(=O)(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 331508805 KTFQPFYOTGRWRU-UHFFFAOYSA-N 351.432 -0.349 30 20 FBED N#Cc1ccc(NCC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)nc1 333337745 SCOXHFUIPRPQIP-CQSZACIVSA-N 363.443 0.392 30 20 FBED C=CCS(=O)(=O)CCNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 367802563 PTPBLXFZBOFZGX-LLVKDONJSA-N 358.420 -0.735 30 20 FBED CN(CCC#N)C(=O)CCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374845218 ZDVMOTDMPAVEPP-OAHLLOKOSA-N 372.491 -0.125 30 20 FBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409501754 NGGALTAQICEKPJ-JTQLQIEISA-N 351.306 -0.038 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)CCO1 409542597 IBGLIJDQGVZQLU-OAHLLOKOSA-N 351.432 -0.332 30 20 FBED CCNC(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409598428 OIPBYSKBBLDSBC-AWEZNQCLSA-N 352.416 -0.005 30 20 FBED CC(C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)N1CCN(C)CC1 410133595 IXDLKQJFKVKHCA-HUUCEWRRSA-N 359.496 -0.683 30 20 FBED C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)O 422744187 VQJSJTMSZQXILP-LBPRGKRZSA-N 359.386 -0.219 30 20 FBED CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 443076439 KNJSXFQUQFZQPV-NSHDSACASA-N 353.404 -0.009 30 20 FBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cc1 487095363 CRQUWEFWSRBDOW-ZDUSSCGKSA-N 351.384 -0.231 30 20 FBED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(C#N)CC3)C2=O)cn1 497801185 NRLJFVHGXHAYJY-CQSZACIVSA-N 358.402 -0.206 30 20 FBED N#CCNC(=O)CNS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 505859514 XQKQSDKJTHNANB-UHFFFAOYSA-N 373.362 -0.013 30 20 FBED C=CCn1c(SCC(=O)N2CCNC(=O)C2)nnc1-c1cnccn1 531761313 FVZWMMDDZUXAKW-UHFFFAOYSA-N 359.415 -0.028 30 20 FBED N#CCCCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 553253067 SKWVBUUYJWRMQK-IGQOVBAYSA-N 358.398 -0.280 30 20 FBED COC(=O)Cn1cc(CNCCS(=O)(=O)c2ccc(C#N)cc2)nn1 566117265 ZZUOQUMRMQVXBW-UHFFFAOYSA-N 363.399 -0.114 30 20 FBED CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCCOC1 567123279 CBZAZTOYSAMPTM-UHFFFAOYSA-N 353.466 -0.002 30 20 FBED CNC(=O)c1cc(O[C@H]2CCCN(C(=O)Cn3cnc(C#N)n3)C2)ccn1 588871079 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CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 810494804 AVIUBSYDRQEOGE-UHFFFAOYSA-N 372.378 -0.326 30 20 FBED N#Cc1cncc(S(=O)(=O)NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 813980107 QRBOFZSEMPRTIY-UHFFFAOYSA-N 369.366 -0.023 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(CC)c2C)CC1 831575142 YQPYRJFXMQWYOJ-UHFFFAOYSA-N 367.475 -0.326 30 20 FBED CNS(=O)(=O)NC1CCN(C(=O)COc2cccc(C#N)c2)CC1 846052534 FNQDXXKGBQIGLL-UHFFFAOYSA-N 352.416 -0.018 30 20 FBED C#CCCOC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 858908889 FCGKHCSHZSHCAI-LBPRGKRZSA-N 364.445 -0.719 30 20 FBED C#CC[C@H](CCOC)NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 859027349 BLNWUSRRROUYLH-KGLIPLIRSA-N 373.475 -0.250 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N(C)OC)cc1 863624314 XBIBQQHMXMHDMR-NSHDSACASA-N 353.400 -0.264 30 20 FBED C#CCN1CCC[C@H](NC(=O)COCC(=O)N[C@@H]2CCCN(CC#C)C2)C1 923579037 METVLHVPURIIPY-HDICACEKSA-N 374.485 -0.569 30 20 FBED C#CCOc1ncccc1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 939715558 FXHIEFYUDXYCJU-YUELXQCFSA-N 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C#CCNC(=O)CN1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 282991982 NADYMDDUKSSJJU-AWEZNQCLSA-N 355.464 -0.778 30 20 FBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCC2(CC1)N=C(O)N(C)C2=O 329375032 LGDUMIAHQXFZSA-GFCCVEGCSA-N 353.423 -0.158 30 20 FBED CN(/C(O)=N/CCN1CCOCC1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 330186528 JVYSAPFLKYTYMA-ZDUSSCGKSA-N 362.496 -0.023 30 20 FBED CN(C)S(=O)(=O)c1cc(/C(O)=N/[C@@H](CO)CN2CCOCC2)co1 330466890 XBNCKLMQMCGWJJ-GFCCVEGCSA-N 361.420 -0.472 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 334005557 GNGSXQBUVIBAKL-DYVFJYSZSA-N 352.435 -0.164 30 20 FBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 409483601 JMBNMBKBXXVKAR-NEPJUHHUSA-N 360.436 -0.534 30 20 FBED CCN(CCC#N)S(=O)(=O)NCCN1C(=O)NC2(CCCC2)C1=O 409508405 DGOKKQLCUORQQX-UHFFFAOYSA-N 357.436 -0.079 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc(O)c3)CC2)CCO1 409552696 MDAAUJLILDAXJO-OAHLLOKOSA-N 352.416 -0.017 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1 418813819 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N#Cc1cccn(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1=O 758247584 JFDVZSRRROUMIW-OAHLLOKOSA-N 366.443 -0.196 30 20 FBED COC(=O)[C@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 777187174 XMTHBHJEIAIOBM-OAHLLOKOSA-N 369.399 -0.845 30 20 FBED C[C@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)n1cnc(C#N)n1 798742430 NHBAENMESGPULU-SNVBAGLBSA-N 365.371 -0.020 30 20 FBED C#CCN=c1nc(N2CC[C@@](F)(CO)C2)[nH]c(N2CC[C@@](F)(CO)C2)n1 804697333 YWLREBVWIYQVFB-HOTGVXAUSA-N 368.388 -0.840 30 20 FBED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H]1CCCN(O)C1=O)C2=O 816753762 OQYSRRKQNMDJER-OHUAYANFSA-N 352.391 -0.017 30 20 FBED CC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 820843434 ZDAYMSQWLCHKLT-GXSJLCMTSA-N 363.403 -0.048 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(F)c2O)CC1 828751863 YUAVXKCGCGFVSQ-UHFFFAOYSA-N 359.354 -0.104 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)OCc2ccncc2)CC1 831579453 DCGBJHOCASZUHG-AWEZNQCLSA-N 366.443 -0.402 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1 831579597 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C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 732661889 CJAMNHKATBKNRZ-CYBMUJFWSA-N 371.440 -0.899 30 20 FBED C[C@H](CC(=O)NCC[S@](C)=O)/N=C1/NS(=O)(=O)c2ccccc21 742647213 ZQLNDWQJJQODBR-STFLBKPXSA-N 357.457 -0.002 30 20 FBED CO[C@]1(C)CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C 746577448 FTFFTIBCKIKHBF-CQSZACIVSA-N 358.420 -0.447 30 20 FBED N#Cc1ccc(NCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)nc1 749726469 VOZZGEBCCRXNJP-UHFFFAOYSA-N 363.403 -0.584 30 20 FBED C#CCN1CCN(C(=O)COc2ccc(C(=O)N(C)CCO)cc2)CC1 749874707 UFAWYLFHPWDKMW-UHFFFAOYSA-N 359.426 -0.093 30 20 FBED CN(C)CCCNC(=S)NN=Cc1cnc(N2CCN(C)CC2)nc1 755720692 GKLNWGDMPMOSSJ-UHFFFAOYSA-N 364.523 -0.022 30 20 FBED CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCNC1=O 760118917 PMFZPDVHPOLOSX-GFCCVEGCSA-N 364.427 -0.148 30 20 FBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1CCCS1(=O)=O 766985375 BLJLEZGNHPTGQK-UHFFFAOYSA-N 373.412 -0.593 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(C)C1=O 767628228 FBSDAAXKAHRJOB-GWCFXTLKSA-N 351.384 -0.001 30 20 FBED C#CCN1CCN(C(=O)CN2CCN(CCC(=O)OC)C[C@@H]2C)CC1 775560730 HJOWWSLZHJZMLE-INIZCTEOSA-N 350.463 -0.667 30 20 FBED COCC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 799251040 GPWYEPDUUPXYHA-SNVBAGLBSA-N 355.372 -0.669 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOC3CCC3)CC2)c1C#N 807163880 SDMFVOSZLMWXHG-UHFFFAOYSA-N 374.445 -0.066 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1 845433170 SJDQJIHTQFDRKB-UHFFFAOYSA-N 367.413 -0.522 30 20 FBED Cn1nccc1[C@H](O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 856780958 CGWWHTNCGJPUMY-CQSZACIVSA-N 358.402 -0.361 30 20 FBED COCCNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 859767426 UGDVVJQLJGBJPY-BXUZGUMPSA-N 367.431 -0.156 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2OC)nc1 944091431 ZGAAQVVYLCTALI-FVQBIDKESA-N 370.409 -0.455 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2OC)c1 946644250 UQPISBYEAHTVTK-HUUCEWRRSA-N 367.365 -0.584 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3n[nH]c(C)n3)C2)cc1 962876283 BPPNMWPNJPYWBL-CABCVRRESA-N 353.382 -0.361 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)n3)CO2)C1 965743734 NPXXMJKRNFPBKC-SCRDCRAPSA-N 361.402 -0.494 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1O 968346085 RPFVIOKFQQUONX-PMPSAXMXSA-N 359.430 -0.698 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1O 968347686 AKDSHVQDJMJKND-ILXRZTDVSA-N 367.421 -0.709 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)CN3CCCCC3=O)C2)c1 968711993 LARHEJLXJHJPBG-KGLIPLIRSA-N 359.386 -0.800 30 20 FBED Cc1cnc2c(cnn2CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 968963363 JBDLSXWRAICYRJ-YUTCNCBUSA-N 356.386 -0.413 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@@H]2O)nc1 969349186 XTSDMSYNJWEVLB-MWNCTCPHSA-N 359.382 -0.832 30 20 FBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C)CC1 988508043 ZFFGIMYTDFIIGG-OJLVUWQFSA-N 360.458 -0.441 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](c3cncn3C)C2)cn1 993619538 MOEMQFNNDMDNPF-ZIAGYGMSSA-N 366.381 -0.994 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc3nc(C)nn23)C1 1000010352 XJKXNBQCLIUVAP-OCCSQVGLSA-N 356.386 -0.036 30 20 FBED C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1 1006871744 BXWUVUHYWMJMNL-XFBWCDHKSA-N 370.409 -0.328 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCCN(C(=O)c3nnn(C)n3)C2)C1 1010872907 DKWBRMXWYBEVRJ-OLZOCXBDSA-N 360.418 -0.134 30 20 FBED N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)c4nnc(O)nc4O)[C@@H]3C2)[nH]1 1022254719 CONFCQQBHNSNIE-GZMMTYOYSA-N 369.341 -0.531 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2O)c1 1023333645 YIYSQNHXBOBQHO-TZMCWYRMSA-N 370.369 -0.772 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cncc4nc[nH]c34)C[C@H]2O)c[nH]1 1023467377 HKJSFADKDQRLAY-ZIAGYGMSSA-N 365.353 -0.227 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(C)nnc3C)C[C@H]2O)nn1 1023768764 AKNZYKVUOAGJET-UKRRQHHQSA-N 371.401 -0.514 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCn3cccc3)C[C@H]2O)nn1 1023768818 CUEIXIGXSFOMGZ-UKRRQHHQSA-N 358.402 -0.343 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2O)nn1 1023771353 RUZMYHONWGLMHR-PSASIEDQSA-N 366.765 -0.279 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)nn1 1023787021 FSPMSYINPPCTHZ-UMVBOHGHSA-N 362.434 -0.893 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)nn1 1023968172 PRQMEDGXRKAVBU-RGCMKSIDSA-N 362.434 -0.894 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O 1024229418 WNLVFUQGXPMYNZ-UKRRQHHQSA-N 358.402 -0.343 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1O 1024956214 SNDMROKRAYHEIF-HUUCEWRRSA-N 368.393 -0.051 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1025496850 GHYGGIYKHHFQMG-IXDOHACOSA-N 361.442 -0.491 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@]3(CC)CCNC3=O)C[C@H]2O)c1 1025554544 NPRLDIXZGHPJOF-CLCXKQKWSA-N 370.409 -0.719 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@H]2O)c1 1025556023 FTDGHFUSIMQMFC-JCURWCKSSA-N 367.409 -0.034 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1O 1025711294 MSZMPTBZESLPSA-GBOPCIDUSA-N 360.414 -0.278 30 20 FBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2O)cn1 1025746166 QIVRARRPGHMPBI-HUUCEWRRSA-N 356.386 -0.353 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(CCN2CCNC2=O)CCO1 1035370031 FKMYMJDQWRSLCJ-OAGGEKHMSA-N 366.462 -0.190 30 20 FBED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1039841625 MBZVSGWFHWFCDK-KHYOSLBOSA-N 361.442 -0.358 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)n1 1040513201 PMVOSEMNORBCHH-WCQYABFASA-N 353.390 -0.366 30 20 FBED Cn1nc(C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2O)ccc1=O 1041037088 JACMTFQRRWZDGC-CHWSQXEVSA-N 358.333 -0.834 30 20 FBED Cc1ccn2ncc(C(=O)N[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]3O)c2n1 1041115185 XKAWFGNTZKSFBZ-ZIAGYGMSSA-N 364.369 -0.321 30 20 FBED 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C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 800783547 YIMAZJLRHGTJDW-ZDUSSCGKSA-N 370.479 -0.104 30 20 FBED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCC(=O)NCC#N)C1=O 804819749 IQCCWRQNFNZCNA-KRWDZBQOSA-N 373.369 -0.782 30 20 FBED C=CCCn1cc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)nn1 820976506 DRSQOMWVSUHAIC-UHFFFAOYSA-N 359.346 -0.515 30 20 FBED COC[C@@H](C#N)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 826147712 IYOSPYBVDMFZKB-GFCCVEGCSA-N 365.371 -0.137 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 831556791 UNVCZNIJNBTSAS-UHFFFAOYSA-N 353.448 -0.137 30 20 FBED CS(=O)(=O)N1CC[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 844883171 AZOVBMQTOUWYAJ-GFCCVEGCSA-N 352.420 -0.302 30 20 FBED CCN1C[C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)CC1=O 846722367 SBOWYSAJAKUOQX-GFCCVEGCSA-N 358.402 -0.534 30 20 FBED C=CCS(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 906047523 JLNTTWYZWBPUCA-QWHCGFSZSA-N 365.473 -0.218 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1OC 942198914 VKZIXBGPMNJULM-UKRRQHHQSA-N 358.402 -0.079 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1OC 942516723 RARMLFUNUIJNCA-OWCLPIDISA-N 357.414 -0.470 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 951627514 RFXDJVNSIYMXLE-XQQFMLRXSA-N 364.402 -0.764 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@@H]2O)nn1 963310426 QSZULHCZKQLVFP-OCCSQVGLSA-N 360.349 -0.387 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CCc1cnn[nH]1 964355241 ISYGPBWGVHKBIE-ZNMIVQPWSA-N 363.418 -0.328 30 20 FBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)c1 964633592 DGOWQVDHHXKCSI-YYQUZTFQSA-N 356.426 -0.295 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2O)CC1 966007117 NXJUNILTHHWTQO-RCJHGTSTSA-N 361.442 -0.944 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4cncn4C3)C2)c1 968324987 JPBQTADQPSUVCE-WQVCFCJDSA-N 368.397 -0.353 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@@H]2O)c1 970409972 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CN1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]2O)CC1=O 1083504481 CVWJTSIAQOPKKZ-IMJJTQAJSA-N 360.389 -0.163 30 20 FBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O 1083596368 UHBWBSKJGGJDMY-PMPSAXMXSA-N 361.446 -0.076 30 20 FBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)C2)n1 1090452433 QKBSGZOYPMNOCZ-BFHYXJOUSA-N 360.418 -0.530 30 20 FBED C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)N1CCCC1=O 1090452599 UQGLRPIBHQMCBR-JHJVBQTASA-N 358.402 -0.585 30 20 FBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090835489 KVCNBOIVQXAZBC-GRYCIOLGSA-N 366.447 -0.383 30 20 FBED CNC(=O)NCCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1OC 1090886012 IVYBXLJHEHLRLL-UKRRQHHQSA-N 360.418 -0.099 30 20 FBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O 1090945330 NZTNEIHLBWTIAU-RAIGVLPGSA-N 367.431 -0.789 30 20 FBED CN(C)CCOCC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1091047837 JPVJPKOMCUJHIF-LSDHHAIUSA-N 360.418 -0.658 30 20 FBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC(=O)N(C)C)n1 1091060736 DBWFWUXBGFMWPH-UONOGXRCSA-N 358.402 -0.449 30 20 FBED CN(CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)c1ccncc1 1091159384 FPPKNNPKNVKQNS-CVEARBPZSA-N 367.413 -0.065 30 20 FBED COCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1n1ccnn1 1092085787 ATOHEOPTBKCDPE-KGLIPLIRSA-N 356.390 -0.169 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CCNS(C)(=O)=O 1092455730 LZHMLAIVUCHLCS-VXGBXAGGSA-N 366.447 -0.524 30 20 FBED C#CCN1CCN(C(=O)c2c(Cl)cnn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632563 MVOANSCHWCOULJ-NWDGAFQWSA-N 356.835 -0.370 30 20 FBED CC#CCN1CCN(C(=O)c2cnn(CCF)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641757 YQEJGLYFCBZKGJ-LSDHHAIUSA-N 368.434 -0.201 30 20 FBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@]2(C)C1 1101249949 UVJWXPKSYBVVND-ACJLOTCBSA-N 369.429 -0.180 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)CCCn1ccnn1 1103075930 FXWDMHKCFNDMDL-HUUCEWRRSA-N 361.450 -0.228 30 20 FBED CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1104952076 FFZGFYHWOQEDGE-MGPQQGTHSA-N 366.466 -0.463 30 20 FBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1106077355 MGHIOJSJVULVOD-UMVBOHGHSA-N 354.451 -0.301 30 20 FBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O 1109826813 ZMGIHYFFCLWQAA-QPSCCSFWSA-N 357.476 -0.056 30 20 FBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOC1CCOCC1 1109957139 CYOKPKQYDRMVNU-KBMXLJTQSA-N 364.446 -0.067 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCCNC(N)=O 1110781275 JTSSVFHXGSTFSQ-MCIONIFRSA-N 351.451 -0.151 30 20 FBED CS(=O)(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111900549 XIRZDWQJBNVZDV-BBRMVZONSA-N 370.475 -0.578 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 1116611696 OJZUSLZCJZZAGU-UHFFFAOYSA-N 369.385 -0.103 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1117493478 LUDKLEVQHKZXJD-UHFFFAOYSA-N 369.399 -0.030 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)C1=O 1117963265 OMZJYBGLJCDGFM-OLZOCXBDSA-N 366.418 -0.469 30 20 FBED N#Cc1ccc(CCNC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 1118612878 UGBZMZGXCWYGRM-UHFFFAOYSA-N 357.370 -0.725 30 20 FBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCc1ccc(C#N)cc1 1118665075 OGOYHBBSGMAVGH-KGLIPLIRSA-N 365.411 -0.855 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ncnc2c1nnn2C 1124743746 UFEYUNMTZDDPCB-TUAOUCFPSA-N 361.406 -0.419 30 20 FBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)CC2 1127996802 DTNIKEXVFXHKNV-HZSPNIEDSA-N 358.446 -0.263 30 20 FBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccc(F)c2)C1 1128647458 SMQCUGSXQQFJPC-CABCVRRESA-N 371.376 -0.288 30 20 FBED N#CCSCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1n1ccnn1 1128723719 BIMDETOKZQECGN-NEPJUHHUSA-N 364.460 -0.072 30 20 FBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1129060793 URVGBKSNKPBFAN-KFWWJZLASA-N 362.434 -0.509 30 20 FBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnnc2C)C1 1129089203 FJLKPTGLJVBFCB-CVEARBPZSA-N 355.402 -0.318 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1n1ccnn1 1129633632 QDRAFTWEXHMDJJ-KGLIPLIRSA-N 358.406 -0.733 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnn(C)c2)C1 1129829213 AWFCUHNSPIOOIB-IMJJTQAJSA-N 357.418 -0.408 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1n1ccnn1 1129912380 BYFWAZZQAYYXAK-SJORKVTESA-N 366.425 -0.388 30 20 FBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1n1ccnn1 1129927408 WXBGGTMOIRWUKT-ZACQAIPSSA-N 358.446 -0.099 30 20 FBED C=CCCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1n1ccnn1 1129927459 YVJFTMQWTGRQOC-ZNMIVQPWSA-N 361.450 -0.014 30 20 FBED N#CCNC(=O)CN[C@@H]1CN(C(=O)CCCC2CC2)C[C@@H]1n1ccnn1 1129970607 VTFNGJZOBIMCLR-CABCVRRESA-N 359.434 -0.160 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCOCC)C2)nn1 1130032390 DUZFFKWKZRGVRY-HIFRSBDPSA-N 360.422 -0.253 30 20 FBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](O)COC)C1 1130148065 DDRSHCONJKJJEJ-ZNMIVQPWSA-N 353.423 -0.780 30 20 FBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CCC(=O)N2)n1 1130232918 TZKBGRWXGLYCIL-PRXAMGSTSA-N 362.434 -0.262 30 20 FBED C=CCCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)[C@H](c2cn(C)cn2)C1 1130534741 CLUXUSZIRCLHSU-GXTWGEPZSA-N 362.434 -0.274 30 20 FBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OCCOC)n2)O1 1130813842 ZOGLNJBYDSCBLM-HZSPNIEDSA-N 365.434 -0.085 30 20 FBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C34CCN(CC3)C4)n2)O1 1130817489 PTVOBZMXWZWXQD-UONOGXRCSA-N 358.446 -0.040 30 20 FBED C=C(C)CN[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1c1cncn1C 1131003934 UJAFFPAVFSNPMU-HUUCEWRRSA-N 363.462 -0.015 30 20 FBED C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC(N)=O)CC1 1131454082 KYVBYNNBPVJGBG-CJNGLKHVSA-N 368.434 -0.630 30 20 FBED N#Cc1ncccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1191172162 VHBWIGFJFDSENH-WCQYABFASA-N 357.413 -0.470 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(C[C@H](O)COCc2cccs2)C[C@H]1O 1191755517 KDKCXTILEYJWHC-NUEKZKHPSA-N 370.471 -0.011 30 20 FBED C#Cc1cccc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)COCC=C)C2)c1 1191770661 HNTAOPMWFLTNGQ-IAGOWNOFSA-N 357.410 -0.030 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1193223279 ZSQAXMGOIQZODJ-HUUCEWRRSA-N 358.398 -0.742 30 20 FBED COCC(=O)NCCC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O 1193456045 KUWXLQDISWPIIQ-IAGOWNOFSA-N 359.426 -0.648 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)(C)C)c2C)C1 1193505246 GWFQSLNNHIBLTF-HUUCEWRRSA-N 361.446 -0.529 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 1193756972 WOXPJTRIKWXFDX-IXDOHACOSA-N 364.490 -0.143 30 20 FBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1194526532 FXVOOVYBVYLBGO-IAGOWNOFSA-N 357.410 -0.004 30 20 FBED CC#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(=O)NCC)C[C@H]1O 1195466890 GCOWPGUENIPTIM-MGPQQGTHSA-N 352.435 -0.425 30 20 FBED CNC(=O)C1(C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2O)CC1 1196905567 VZQOGCZDGQHMGI-HZPDHXFCSA-N 359.401 -0.135 30 20 FBED 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C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1214139972 RIZPPJHKFDXXDC-HZSPNIEDSA-N 362.434 -0.280 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](NC[C@@H](O)Cn3cccn3)[C@H](C)C2)nn1 1215833021 UXGXKUCOICFYNV-RBSFLKMASA-N 359.434 -0.228 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C[C@H]1C 1216687114 DSLMMXCGQYQDEQ-BFYDXBDKSA-N 370.453 -0.009 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C 1216701869 AHWZCOBISLSTAB-GDBMZVCRSA-N 350.463 -0.131 30 20 FBED C=CCCOCC(=O)N1C[C@@H](NC[C@H](O)CN2CCCC2=O)[C@H](C)C1 1216918735 DYLPRLXRZNWYPK-OWCLPIDISA-N 353.463 -0.001 30 20 FBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@](C)(O)C1CC1 1217649140 LSGBFIPARVBTEB-DAYGRLMNSA-N 351.447 -0.249 30 20 FBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C(C)C 1218057128 IUPMPMNCNFOWMH-JKSUJKDBSA-N 351.447 -0.338 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C2CC2)[nH]n1 1218672850 QSVGWGRNXRTAIM-LSDHHAIUSA-N 358.402 -0.548 30 20 FBED 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C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]12 1114299390 VHSIVLKCXQZSCU-TUVASFSCSA-N 371.503 -0.095 30 20 FBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 1118179757 DRERWZGUYGCLAM-MJBXVCDLSA-N 368.459 -0.179 30 20 FBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)N(C)C 1118693301 GZCORXQQRXYZPI-UHFFFAOYSA-N 363.403 -0.218 30 20 FBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nccc(C)n2)C1 1128949567 PHWUFRLGNUYVIA-KGLIPLIRSA-N 370.417 -0.666 30 20 FBED Cn1nncc1CN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC(C)(C)C)C1 1128980131 OPJBOZVZRSPSFE-CABCVRRESA-N 356.434 -0.002 30 20 FBED C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N1CCCCC1=O 1128989224 NJPAJQHQCWVOKD-ZNMIVQPWSA-N 359.434 -0.066 30 20 FBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1n1ccnn1 1129481918 QXOKDMYNXYVZSR-MJBXVCDLSA-N 360.422 -0.461 30 20 FBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C 1129803082 XANWEANKWDHWDO-RBSFLKMASA-N 361.446 -0.269 30 20 FBED CC#CCN[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1n1ccnn1 1129866419 BCTXEOHBLPRXCF-KGLIPLIRSA-N 351.374 -0.606 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 1129890743 ZIYSWTDPKJCSMM-KFWWJZLASA-N 362.434 -0.652 30 20 FBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 1130132808 QOZSOCCVPFDITD-RDBSUJKOSA-N 351.432 -0.780 30 20 FBED Cn1c(C(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)cccc1=O 1130804300 CGARZPYSECNERN-WCQYABFASA-N 371.401 -0.233 30 20 FBED Cn1cncc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NCC(=O)NCC#N 1130902719 BLSWIZNGYHJTIA-TZMCWYRMSA-N 355.402 -0.414 30 20 FBED Cn1cncc1[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1NCC(=O)NCC#N 1130967251 SDDSBXVFPAMGBR-HUUCEWRRSA-N 370.413 -0.220 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N=S(C)(C)=O 1188223494 XPGQQGCKORGLBJ-JTQLQIEISA-N 358.449 -0.169 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 1191011874 OHUVHXTURSKRJC-HUUCEWRRSA-N 362.434 -0.734 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1O 1192525370 SIQPFSWTIQMWQN-RKVPGOIHSA-N 362.430 -0.814 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CCOCC)CCC2)C1 1193032607 WTGIDIXEEUDENC-ARFHVFGLSA-N 365.474 -0.118 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1193835216 OWVXYDSGDAMTOO-NILFDRSVSA-N 370.413 -0.510 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(CCC)c2)C1 1193930344 SPOKRLGKYDXICO-IAOVAPTHSA-N 358.442 -0.053 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2(N(C)C)CCCC2)C1 1195005878 AYASJJYNFIUWNR-HUUCEWRRSA-N 350.463 -0.838 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1196161014 MWVDQGQDMIFZJZ-YNEHKIRRSA-N 364.450 -0.501 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccco3)[nH]n2)C1 1196338379 HQPDQWXMGNDCKM-ZIAGYGMSSA-N 359.386 -0.253 30 20 FBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1O 1196691773 JLRDJTCRLCEOHF-ARFHVFGLSA-N 368.478 -0.513 30 20 FBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 1197751632 CGPAASHKSPVTSU-IAGOWNOFSA-N 355.398 -0.308 30 20 FBED C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1199414785 HMPHQNLPOTXADJ-BZUAXINKSA-N 363.462 -0.143 30 20 FBED C[C@@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H]1NC(=O)C#CC1CC1 1206952749 COLFMAITIJWGEY-DGCLKSJQSA-N 366.443 -0.036 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)C1 1210905639 XMNRUDKWVBWTEC-ZIAGYGMSSA-N 351.451 -0.318 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1ccccc1 1211720754 OGWGAGRJGNHMHP-JKSUJKDBSA-N 371.441 -0.622 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H](OC)C1 1212484797 CBMMXFMXDLTCBL-NVXWUHKLSA-N 369.425 -0.248 30 20 FBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](OC)C1 1213569219 CVQDJRUENQXULI-GHMZBOCLSA-N 366.443 -0.422 30 20 FBED C=CCCCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 1213580378 AFSOCJPPVIVXGT-RBSFLKMASA-N 354.451 -0.462 30 20 FBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC 1213964457 XOZUZXDCPWSZNA-JHJVBQTASA-N 356.423 -0.761 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C 1215071363 XPOJPJCABNIIST-BXUZGUMPSA-N 371.397 -0.788 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C 1216519598 HBJICSCBINWFNP-GDBMZVCRSA-N 356.426 -0.398 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CC)c1C 1218813827 FSULLPQUGJGRDX-JKSUJKDBSA-N 359.430 -0.514 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(CCC)n1 1218952492 TYEFJJCURJDIHG-LSDHHAIUSA-N 360.414 -0.098 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN(C)CCC 1219004218 BDJOXPBTKOPPPU-YESZJQIVSA-N 364.490 -0.232 30 20 FBED C#CCCCCC(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@@H]1O 1219481980 GAGCWNZDUJQBIH-CABCVRRESA-N 357.476 -0.623 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219541110 CHJQYRBKEYBKIW-XQQFMLRXSA-N 363.418 -0.502 30 20 FBED CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219656124 MDYJOIHGLOGUDQ-FQLMCAECSA-N 352.435 -0.761 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nncc3ccccc23)C1 1219982145 KRLYXXGQJOSGSX-MAZHCROVSA-N 367.409 -0.457 30 20 FBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@@H]1O 1220143148 WFZGDKFBDRLKJL-OWLYRPNTSA-N 355.438 -0.028 30 20 FBED N#Cc1cccc(CN2C[C@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)c1 1220242399 YVZDCAAFTBJRSV-CABCVRRESA-N 366.443 -0.712 30 20 FBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O 1220293915 ZDXOTCSAQDLGCM-IGCXYCKISA-N 352.435 -0.308 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 1220392506 JFBRMPKJUVQHSJ-CABCVRRESA-N 362.434 -0.901 30 20 FBED CCCCn1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c(C)n1 1220722753 MWJCMTBPNWGVKU-CABCVRRESA-N 362.434 -0.594 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 1220768345 HYYGSULDFANJDV-GUXCAODWSA-N 371.437 -0.363 30 20 FBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 1220845794 CZFMBSSHQCAUBI-OLMNPRSZSA-N 370.453 -0.017 30 20 FBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 1221944220 DORKDAOKUISQRF-XJKCOSOUSA-N 358.446 -0.256 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 1228639802 NPDWQGPCXJNXCY-JHJVBQTASA-N 359.430 -0.118 30 20 FBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O 1230207910 CDIJDTWCUZRROF-UPJWGTAASA-N 356.448 -0.780 30 20 FBED CN(C)S(=O)(=O)N1CCN(c2nnc(CCCCC#N)n2C)CC1 1262866981 DWDGNEZAMWPQRG-UHFFFAOYSA-N 355.468 -0.020 30 20 FBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1262956599 SUTDCDSATRHFML-KGLIPLIRSA-N 361.450 -0.365 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)Cc2ccncc2)cc1 1296620439 MQQUJTJWELLRPE-OAHLLOKOSA-N 374.422 -0.049 30 20 FBED N#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1302597289 VPUFHCCGSCZGAB-UHFFFAOYSA-N 361.427 -0.106 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nnc(SC)s1 1325628618 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C#CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)O 1609105256 QXGBGUCUWNOGBU-CYBMUJFWSA-N 372.424 -0.118 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@H]1O 1756987300 SUUBKVCPRXZQNT-CHWSQXEVSA-N 370.450 -0.635 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1OC 1757129077 SVEXXIYVCDXECF-RRFJBIMHSA-N 360.414 -0.211 30 20 FBED CN(C)c1cnc(C(=O)N[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2O)cn1 1757175902 ICLOTRIQFDEYMC-NEPJUHHUSA-N 364.431 -0.899 30 20 FBED N#CCSCC(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 1757236441 GBYYBSHHBYWCGR-NXEZZACHSA-N 360.386 -0.316 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1757373482 JVBCKZLWHRIPGM-VEVIJQCQSA-N 362.430 -0.947 30 20 FBED C=CCCC(=O)N1C[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 1757469425 LPVUVIJAOUJDKA-OLZOCXBDSA-N 360.418 -0.350 30 20 FBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1781395215 GNHMTJPHKGPVCY-CKEIUWERSA-N 368.434 -0.248 30 20 FBED 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371.401 -0.708 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]nc3CC)C2)nc1 1024535946 RSVHXAJLSZHTDX-HZPDHXFCSA-N 353.382 -0.036 30 20 FBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2O)on1 1024706423 HELNZVLORKCHQY-VXGBXAGGSA-N 359.342 -0.112 30 20 FBED COc1nccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)n1 1024893021 XSIIIEGRPHTXCX-CHWSQXEVSA-N 356.342 -0.700 30 20 FBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1c[nH]nc1[C@@H]1CCCO1 1025189272 FUXQREANWGJEFW-KFWWJZLASA-N 358.398 -0.024 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)c3ccccc23)C1 1025568554 AQEHYXWOKABKLJ-ZWKOPEQDSA-N 355.354 -0.203 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)CNC1=O 1029481981 OHFADRKMYSXUKM-BARDWOONSA-N 362.430 -0.196 30 20 FBED N#Cc1nccnc1N[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1039637592 KZLWGLWOZJTTQS-SYEQVDHESA-N 366.385 -0.160 30 20 FBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)c(C#N)cn1 1041061370 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C=CC/N=C(/O)NC(=O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 331314510 CTYUIBJWPCCHDK-AWEZNQCLSA-N 351.451 -0.169 30 20 FBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)CN1 332564810 WTYSQXFRLSDUKK-ZIAGYGMSSA-N 356.430 -0.189 30 20 FBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)C1 349501625 QQJIWMUAXLPBRB-SNVBAGLBSA-N 363.383 -0.172 30 20 FBED CCC[C@@H](O)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 412514426 JMWCICNDZOVJTP-HUUCEWRRSA-N 369.443 -0.183 30 20 FBED Cn1cnc2c1c(=O)n(CC(=O)N1CCc3cc(C#N)ccc31)c(=O)n2C 416016170 HLLXONCJVMOHGY-UHFFFAOYSA-N 364.365 -0.105 30 20 FBED COc1cc2c(cc1S(=O)(=O)N1CCO[C@H](C#N)C1)OCC(=O)N2 429848055 PKVCAVINLHWXLW-SECBINFHSA-N 353.356 -0.061 30 20 FBED COC(=O)[C@@H]1CNC(=O)CN1CCS(=O)(=O)c1ccc(C#N)cc1 447917982 AQQSCHPSDFEXQR-ZDUSSCGKSA-N 351.384 -0.695 30 20 FBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[nH]n3)CC2)cc1 470979158 ZBYDMPTXFRRSJM-UHFFFAOYSA-N 361.387 -0.189 30 20 FBED C=C(C)COCCNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 474540520 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C[C@]1(C(N)=O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589508427 LEYIZVQZIYRZLX-HNNXBMFYSA-N 350.400 -0.440 30 20 FBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2=O)cc1 593592423 JELJHKMWIVKCNF-UONOGXRCSA-N 362.411 -0.138 30 20 FBED CC(C)(C)c1nnc2n1CCN(S(=O)(=O)N1CCO[C@@H](C#N)C1)C2 595396986 GNARDPYDFOMJIR-NSHDSACASA-N 354.436 -0.140 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3CN4)CC2)c(F)c1 601580544 IXGSBKAGOOZZEE-KBPBESRZSA-N 357.389 -0.081 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnc(C(=O)N(C)C)c2)C1=O 603791622 YVYPHDCXXFAKHL-UHFFFAOYSA-N 359.342 -0.301 30 20 FBED CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 608890054 XCRFRIBZSQKJHX-CQSZACIVSA-N 364.427 -0.172 30 20 FBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccco2)c1=O 758075002 DKQUFDOOELBRCG-UHFFFAOYSA-N 371.418 -0.208 30 20 FBED N#Cc1ccc([C@H](OC(=O)c2ccnc(S(N)(=O)=O)c2)C(N)=O)cc1 772435390 AGCKPHHUHANCLT-ZDUSSCGKSA-N 360.351 -0.016 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2CCS(=O)(=O)C2)cc1 788883479 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C#CCN1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 923572442 FBOROCUYWDDJNJ-KPRKPIBOSA-N 359.426 -0.249 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cnc(O)n3C)[C@H](OC)C2)cn1 944426450 ANFDBGJJEKYEBM-UKRRQHHQSA-N 369.381 -0.229 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)CCO1 944782865 DUXHYBOQVYZYGW-UPJWGTAASA-N 364.402 -0.028 30 20 FBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]32)c1 960197584 SEIOABQMKKRADB-KWCYVHTRSA-N 357.370 -0.926 30 20 FBED NC(=O)c1coc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)c1 960359961 ADZBKBWVWXPIDM-DZGCQCFKSA-N 357.366 -0.156 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COC1CCN(C)CC1 960849572 RBDJPIHBGDCREM-VNQPRFMTSA-N 364.446 -0.305 30 20 FBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)nn1 961710936 VSDAXQHZWSYFMN-GUTXKFCHSA-N 363.418 -0.275 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)co3)C[C@@H]2O)c1 962135719 ZCLIOAUBIJYTEE-NEPJUHHUSA-N 357.326 -0.806 30 20 FBED CCn1nnc2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3O)ccc21 962978119 ASTOECCKGNGWNJ-ZBINZKHDSA-N 356.386 -0.088 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@@H]2O)CC1 966005367 ZZIBEYXVFYETEL-CVEARBPZSA-N 363.458 -0.675 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1O 968345972 PWJGENNPUDUQRV-PMPSAXMXSA-N 360.389 -0.380 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnc(C)n3C)C[C@@H]2O)nc1 969349238 ZWUJSBFLKNJDRY-ZBFHGGJFSA-N 353.382 -0.280 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@@H]2O)cn1 969351203 JYJSNHJLCMTIND-CVEARBPZSA-N 353.382 -0.280 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)C2)[nH]1 970587959 VAUWQGGTKKVZHZ-GTTSAUCSSA-N 368.397 -0.284 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 970653348 KJUDQDKZUKRYIU-GLQYFDAESA-N 361.402 -0.268 30 20 FBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 970814219 YLFDNOAUOBRSQC-XQQFMLRXSA-N 358.460 -0.289 30 20 FBED C=CCCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cnnn4)[C@@H]3C2)nn1 971263769 DAWOJFLSXYGDBJ-TZMCWYRMSA-N 371.405 -0.786 30 20 FBED Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1 985967290 ZAXUIMQTUVRLGX-MNOVXSKESA-N 354.374 -0.356 30 20 FBED C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1C(=O)c1ccc(C#N)[nH]1 989233746 WBDHWTSCNOPJTG-YPMHNXCESA-N 358.402 -0.963 30 20 FBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C)c1 989801684 UTYXPVVOMAXDKI-DOMZBBRYSA-N 353.386 -0.141 30 20 FBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)nn1 993558695 YLTNTSBRIQEQML-SGMGOOAPSA-N 370.417 -0.084 30 20 FBED C#CCOc1ncccc1C(=O)NC1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 997056976 IJVMCTMKTLHWIC-IUODEOHRSA-N 370.409 -0.051 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)OC)CC1 1001773151 BRINATZRCNQJKE-ZNMIVQPWSA-N 367.446 -0.211 30 20 FBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 1002221547 GTKWJRWCTULEQM-DGCLKSJQSA-N 360.418 -0.433 30 20 FBED CS(=O)(=O)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 1021186356 ZVAZWTMOCHHFMX-GXFFZTMASA-N 350.400 -0.396 30 20 FBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(C)cn3)C2)nn1 1022970604 YAPQLJGSQKBPAE-UKRRQHHQSA-N 371.401 -0.432 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@H]1O 1024356672 FESYAEFFLJNBOR-OWCLPIDISA-N 359.430 -0.954 30 20 FBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2O)n1 1024612801 WWFZGXQLNYIUQZ-HUUCEWRRSA-N 356.386 -0.299 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)ccc3=O)C2)cn1 1024890094 OVHQQKBVXFZIHK-NVXWUHKLSA-N 366.377 -0.623 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@H]2O)cn1 1024928757 ALGKLORPVNAHPU-TZMCWYRMSA-N 355.354 -0.883 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2O)CC1 1025485349 OYDKIBQDIQEPKN-BZUAXINKSA-N 351.447 -0.249 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)COc3cccnc3)C[C@H]2O)c1 1025552398 QOPDLJIDURAYHR-IAGOWNOFSA-N 366.377 -0.162 30 20 FBED 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RCCJXPHDHKUSNS-SNVBAGLBSA-N 360.342 -0.038 30 20 FBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)nc1 805755707 IDCSWOXIYKTTLM-CYBMUJFWSA-N 370.413 -0.392 30 20 FBED C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC1 812380400 LJGNUJSPKBJTTP-KGLIPLIRSA-N 365.459 -0.002 30 20 FBED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N(C)CCC#N 815274631 FVIFWOAVGGTZTH-SNVBAGLBSA-N 354.388 -0.045 30 20 FBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCn1ncn(C)c1=O 816022675 DETGOAQFRLZNER-UHFFFAOYSA-N 365.371 -0.643 30 20 FBED C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 822450107 CHKRNAGDXLOBMI-SOUVJXGZSA-N 373.475 -0.477 30 20 FBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 828203066 SZJNJCQZHQKBDU-INIZCTEOSA-N 364.490 -0.231 30 20 FBED COC[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 831602138 BEVQJMNRMSQBCP-HNNXBMFYSA-N 369.399 -0.279 30 20 FBED CN(C)S(=O)(=O)N(C)CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 845199446 LRKDRHHJXZWPSH-CYBMUJFWSA-N 354.388 -0.634 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(O)C1=O 848135662 GYZKNPZLQJBBDD-GXFFZTMASA-N 366.399 -0.279 30 20 FBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 875597028 YJIVGDMGZUGWCB-GXTWGEPZSA-N 350.419 -0.407 30 20 FBED C#CCN1CCC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 884139281 OHCRFITXFJRHHH-INIZCTEOSA-N 370.519 -0.108 30 20 FBED CCN(CCC#N)C(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 919067593 GPFGWMQOGKCJDE-UHFFFAOYSA-N 373.369 -0.449 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C)nn1 950014177 MAGVWSFCFAKNRT-JHJVBQTASA-N 360.418 -0.433 30 20 FBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 956224123 LMTUGAGAQNTGHJ-FPMFFAJLSA-N 359.386 -0.360 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1O 958968506 LZUWTVDMCQNZHQ-RFGFWPKPSA-N 363.418 -0.642 30 20 FBED Cc1csc(=O)n1CC(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960375901 VPNRDYIYDZXJCK-KGYLQXTDSA-N 364.427 -0.184 30 20 FBED COc1cnc(C(=O)N2CCO[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)nc1 960688231 MUZFMGMIRCNDSP-LSDHHAIUSA-N 356.382 -0.050 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)NC3)C[C@@H]2O)[nH]1 962347025 MBDPXZVQYPJQOG-GDLCADMTSA-N 359.386 -0.896 30 20 FBED C[C@@H](C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1cnn(C)c1 962389136 PYXWIADJVWMQSV-KMUNFCNLSA-N 356.386 -0.275 30 20 FBED N#Cc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO3)c[nH]1 965494607 WXPNDUXKFFJRNA-OLZOCXBDSA-N 357.370 -0.939 30 20 FBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cc(Br)n[nH]1 965562602 PCCUWIHLCQQDPS-MNOVXSKESA-N 367.203 -0.113 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@@H]2O)nc1 969346746 FPUAZPQLDZNSLT-CVEARBPZSA-N 351.366 -0.223 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3[nH]c(O)nc3C)C[C@@H]2O)c1 970414294 KUEYLJVOHXGAII-OLZOCXBDSA-N 355.354 -0.585 30 20 FBED C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 974696158 DJLUFGSYWUPTOR-IXDOHACOSA-N 366.421 -0.049 30 20 FBED CN1C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)NC1=O 981177979 KMEOEWIXNDEKIJ-MISXGVKJSA-N 358.402 -0.075 30 20 FBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C)nn1 988263860 BHHZXOBKGKDIRJ-UPJWGTAASA-N 360.418 -0.291 30 20 FBED CN1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(C#N)c[nH]2)NC1=O 996010593 RTBRALVUPUWEFG-WVWOOGAGSA-N 356.386 -0.228 30 20 FBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)c4cnnn4C)C[C@H]32)nn1 1021690236 ODTUQQJHNMHPCI-SMDDNHRTSA-N 356.390 -0.421 30 20 FBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnn4c(=O)cc[nH]c34)C[C@H]21 1022570233 WGERKDHJLVASAP-NTZNESFSSA-N 354.370 -0.145 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)nn1 1023366482 PZJCAKBOHDFWQS-TZMCWYRMSA-N 359.390 -0.960 30 20 FBED Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cnn1C 1023432921 IOSHUNJNNBCRKR-HUUCEWRRSA-N 356.386 -0.528 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1023916200 PGSSATGRFHYLCY-DGAVXFQQSA-N 363.418 -0.512 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)nc1 1024542931 FQVKUQRTCXIDLO-HZPDHXFCSA-N 365.393 -0.110 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnn(CC)c3)C[C@H]2O)nc1 1024921702 LKZINJAHFOIUCH-HZPDHXFCSA-N 353.382 -0.105 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CN(CC)CC)C1 1039788248 XGPLDPGDDPRWJY-RVKKMQEKSA-N 353.463 -0.001 30 20 FBED N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1040625798 GCYGSANRSCDZFK-BFHYXJOUSA-N 368.397 -0.021 30 20 FBED CN1C(=O)CN(CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1=O 1040675891 LVKGIZGRZUVLOK-WCQYABFASA-N 369.385 -0.721 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CCCC(N)=O)C1 1040952515 FALHODLZIURLTE-IGCXYCKISA-N 353.419 -0.687 30 20 FBED CCN1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]2O)C1 1041058788 HNDXXBPJIBUYTI-OAGGEKHMSA-N 359.430 -0.352 30 20 FBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3noc4c3COCC4)C2)n1 1041062164 XNQHCIKYNZSKNZ-VXGBXAGGSA-N 356.342 -0.612 30 20 FBED CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(c3snc(C)c3C#N)C[C@H]2O)C1 1041128973 YXNOKQSINIRSHU-MRVWCRGKSA-N 363.443 -0.143 30 20 FBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)n1 1041336032 DQXGZSHDPNGLTB-GBJTYRQASA-N 357.414 -0.348 30 20 FBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)n1 1041432255 MJMHKGNUBKULMS-HUUCEWRRSA-N 366.381 -0.265 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](CC)N(C)C)C1 1043245364 HZLFRVFAPLHJBX-ZNMIVQPWSA-N 353.463 -0.003 30 20 FBED CN1C(=O)CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043746705 UGOQOHNYLGHJBP-QLFBSQMISA-N 370.413 -0.225 30 20 FBED CN1C(=O)CC[C@H]1CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043775794 ZBPTYHKLVOFNHT-SOUVJXGZSA-N 370.413 -0.225 30 20 FBED Cn1c(C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)cccc1=O 1043792274 HBQIHGDFVNUYFO-LSDHHAIUSA-N 366.381 -0.223 30 20 FBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCc4cncn4C3)C2)n1 1044288752 GPFODMCSVSHZBI-MAZHCROVSA-N 367.413 -0.219 30 20 FBED Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CN(c3ccnc(C#N)n3)C[C@@H]1O)CC2 1044440766 AYKYZTXZHHWRRG-YUELXQCFSA-N 367.413 -0.219 30 20 FBED COc1ccnc(OC)c1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044842921 GDHKTPBQJXLEME-NEPJUHHUSA-N 370.369 -0.260 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045142990 AAKFJDSJOZELHM-GDZNZVCISA-N 356.394 -0.214 30 20 FBED C[C@@H]1[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCN1c1nccnc1C#N 1050754874 NVKLVEYTVURUFF-MNOVXSKESA-N 355.358 -0.606 30 20 FBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C)n1 1051089642 OEOJLUZAKWCXIQ-WXHSDQCUSA-N 356.386 -0.057 30 20 FBED CCC(=O)N1CCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070200603 XCWJCMYQWYEVTB-ILXRZTDVSA-N 359.434 -0.066 30 20 FBED CC(=O)N1CC(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)C1 1070369931 YJHBPSMJZCTOQC-WBVHZDCISA-N 361.446 -0.536 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)CC1(C)C 1073509674 ZBHBIIOJOZHOGH-AGIUHOORSA-N 352.435 -0.011 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)CC(=O)NC)CC1 1081010014 YBXLTIBBOIBSST-OLZOCXBDSA-N 353.419 -0.817 30 20 FBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCCN1CCCS1(=O)=O 1082480299 WWAJUAOEYDRZIT-IUODEOHRSA-N 365.459 -0.028 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3nnnn3C(C)C)C[C@@H]2O)nn1 1083843466 JGTCTTZVLHNQIR-YPMHNXCESA-N 361.410 -0.993 30 20 FBED CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C 1090719147 XLERYKQIQYZIAX-LDYMZIIASA-N 357.461 -0.187 30 20 FBED CCS(=O)(=O)NCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C 1090836648 JCQOZOVHKCYQGM-DGCLKSJQSA-N 351.432 -0.167 30 20 FBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C2)n1 1091107199 XVRGOYSQKVXTHQ-OLZOCXBDSA-N 367.431 -0.854 30 20 FBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@@H]1O 1091118303 HJKGGMQKWUQFAZ-MAZHCROVSA-N 361.446 -0.279 30 20 FBED C[C@]1(CCC(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)CCC(=O)N1 1091119783 SPWGEIMLPCJUGF-IGCXYCKISA-N 358.402 -0.537 30 20 FBED 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C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2OC)c1 946643883 CXXOEYJNCBEUSU-BZUAXINKSA-N 370.409 -0.503 30 20 FBED Cc1nc(O)[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 960514777 HJEDKJIJKZUJIJ-QWHCGFSZSA-N 370.369 -0.011 30 20 FBED O=C1CCC[C@H](CC(=O)N2CCO[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)N1 960684998 WTGUZCNTPVAZHW-OWCLPIDISA-N 359.426 -0.103 30 20 FBED C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 960964845 HZRDRPDTINIGAZ-BFJAYTPKSA-N 372.425 -0.153 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]2O)[nH]1 962344619 ZHNMAIYLSDTNLM-GTTSAUCSSA-N 368.397 -0.284 30 20 FBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 964476115 IBFNWRHEROWTCN-AGIUHOORSA-N 371.459 -0.936 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cn(C)c(O)n3)C2)cc1 970327569 ODYHRFWSTRGSHZ-HIFRSBDPSA-N 354.366 -0.278 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(=O)N3CC[C@H](C)C3)C2)cn1 970769733 APVRNDDZUSJHLG-MAZHCROVSA-N 370.409 -0.767 30 20 FBED C#Cc1ccccc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 974941341 URDXJWUCDBSCMK-BRWVUGGUSA-N 366.421 -0.049 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]2C1 986309141 LOOGZEVTLHQOSH-IKGGRYGDSA-N 370.457 -0.317 30 20 FBED C=C(C)C(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 990960388 HKCLHRDYQZNFDV-RQJABVFESA-N 374.445 -0.130 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 992027373 BOMVRRGHOYVLFC-IHRRRGAJSA-N 371.459 -0.672 30 20 FBED Cc1nn(CC(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)c(=O)n1C 993246791 RNGJJYRJNBQIHR-PLQHRBFRSA-N 360.418 -0.643 30 20 FBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)c[nH]1 996118424 LNUWZNNQKJMFNZ-RDBSUJKOSA-N 369.381 -0.199 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(-n3cnnn3)cn2)C1 1000017608 RDGABUQFQQSZOD-HIFRSBDPSA-N 369.385 -0.411 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3C(CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)nn1 1009531833 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Cn1c(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cc2ccccc21 1221124384 HHVVVDPYKFIXHH-WBVHZDCISA-N 369.425 -0.478 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 1221823444 QUBZIGQBRJDNFD-UKRRQHHQSA-N 371.441 -0.753 30 20 FBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(CC(=O)NC(C)(C)C)[C@H]2C1 1222542683 PXNYZIVDPYJAES-CABCVRRESA-N 362.474 -0.037 30 20 FBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[C@@H](C)COC 1261624451 WBIZJZOCYILJIE-AWEZNQCLSA-N 366.462 -0.541 30 20 FBED N#Cc1ccc(NCC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)nc1 1299146360 ZHCYNBCIAREGSS-CHWSQXEVSA-N 350.400 -0.220 30 20 FBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCCN1C(=O)CN(C)C1=O 1319626356 INSYYTJBSAIDKW-UHFFFAOYSA-N 361.406 -0.071 30 20 FBED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1 1319794773 MTXYRDLQVWXAKX-LLVKDONJSA-N 360.370 -0.267 30 20 FBED CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1321793772 OKJBAWQQGDCURB-CYBMUJFWSA-N 364.427 -0.081 30 20 FBED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C#N)CC3)C2=O)n(C)n1 1323325749 XDGIPIRDQJMPNH-CYBMUJFWSA-N 358.402 -0.288 30 20 FBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1 1325100617 SHMYSMCQRBURLE-HNNXBMFYSA-N 366.462 -0.540 30 20 FBED Cc1cc(C#N)cnc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1326240600 RNRRZZLGFWPELM-GFCCVEGCSA-N 350.400 -0.315 30 20 FBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 1327102070 NBKYMBDTVFTWNO-LBPRGKRZSA-N 366.509 -0.436 30 20 FBED CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1328576744 BPMXHCQLSSKFFI-CQSZACIVSA-N 354.428 -0.197 30 20 FBED C#CCn1cc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 1329279654 WOMKCBJQNNLYMT-KBPBESRZSA-N 364.427 -0.832 30 20 FBED NCC1(O)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1329387822 BGVJJSJNMQDKSL-UHFFFAOYSA-N 366.443 -0.573 30 20 FBED N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1335738165 BLIINQGQGFMLHC-UHFFFAOYSA-N 358.398 -0.365 30 20 FBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1336422225 OLJLISYUIZNEEM-CQSZACIVSA-N 363.418 -0.655 30 20 FBED C=CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1342471690 SSMBAMMHRRAODS-UHFFFAOYSA-N 370.387 -0.366 30 20 FBED C#CC[C@H](CO)NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1573302320 LNPIAMSTFZPCJN-XWAURUHHSA-N 358.416 -0.520 30 20 FBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)OCc1cnn[nH]1 1574866298 COWRWCFTQBPXND-DZGCQCFKSA-N 363.418 -0.143 30 20 FBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)CCOCc2cnn[nH]2)cn1 1577715135 JXGVGYAMZHAPEI-MRXNPFEDSA-N 371.401 0.000 30 20 FBED Cc1nc(=NC(=O)[C@@H](C)N2CCNCC2=O)n(-c2ccc(C#N)cc2)[nH]1 1579864142 IZSFOOASECGTRE-LLVKDONJSA-N 353.386 -0.372 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(-c4nn[nH]n4)nn2)C3)c[nH]1 1581865610 LTXGECLEEIFXJU-MRCXROJRSA-N 362.357 -0.136 30 20 FBED C#CCCCCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O 1588344894 IOPDPMWIYIKORD-ZIAGYGMSSA-N 370.417 -0.094 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 1588351260 LWKQIHXYLDANFB-AAEUAGOBSA-N 355.406 -0.329 30 20 FBED C#CCO[C@H](C)C(=O)NCCCN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1588358194 VEKXOCQBLPNWSJ-GFCCVEGCSA-N 358.406 -0.054 30 20 FBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1589380303 SGEVZEDNAPMZAU-UHFFFAOYSA-N 359.390 -0.595 30 20 FBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589389749 LMURSQNJAJUYII-CYBMUJFWSA-N 371.401 -0.189 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)c1 1602726937 XTZNZAOZFVIEJW-CHWSQXEVSA-N 366.395 -0.494 30 20 FBED C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N1CCN(C)C(=O)C1 1602876273 ULIAGWOVYGPEMY-UHFFFAOYSA-N 354.378 -0.082 30 20 FBED COCCN(CCNC(=O)C#CC1CC1)c1ccc(-c2nn[nH]n2)nn1 1605097759 RXFYRCNTDXTOLC-UHFFFAOYSA-N 356.390 -0.361 30 20 FBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc(CO)n[nH]1 1606338703 ZWWKTOCIZNWVLE-NSHDSACASA-N 353.346 -0.524 30 20 FBED N#CCSCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1606351684 YDCWTVHKZPYFFE-VIFPVBQESA-N 360.403 -0.218 30 20 FBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@]2(C(=O)O)CCOC2)cc1 1610626928 BOTMSSLBADPFDW-HNNXBMFYSA-N 352.368 -0.167 30 20 FBED N#Cc1cnn2c(O)cc(CN3CCCC[C@@H]3CS(N)(=O)=O)nc12 1620501486 GNZCJHJCTURSRK-GFCCVEGCSA-N 350.404 -0.050 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CC(=O)NC(=O)NC2CC2)C1 1753409886 KOOQDORRLZCWCG-KGLIPLIRSA-N 350.419 -0.386 30 20 FBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCOC1)C2 1782017771 LJTYLUIDHYAFFA-PMUMKWKESA-N 364.398 -0.375 30 20 FBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1782174981 KVLJRYWQNFKJFM-AZKPJATDSA-N 371.459 -0.073 30 20 FBED Cn1cccc1C(=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784610691 FCPHWCZDZPHDFB-GOSISDBHSA-N 373.365 -0.874 30 20 FBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740979 TWQCUXSGTSDDQU-INIZCTEOSA-N 371.459 -0.199 30 20 FBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncs3)[C@H]2C1 1786211512 VFQYQMNKFAQION-SRVKXCTJSA-N 363.395 -0.176 30 20 FBED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701932 IDKXBOYEXJTRQX-FQUUOJAGSA-N 365.434 -0.283 30 20 FBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857243 GZZNIJYMNIIVTP-KKUMJFAQSA-N 364.446 -0.163 30 20 FBED Cc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793532755 NQJPMALLYUPFBX-FVCICTRLSA-N 357.366 -0.319 30 20 FBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)C1 1795577554 LBGNCWHATLANPN-MIFYACCESA-N 361.446 -0.618 30 20 FBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799395228 LQTBOGOGEYABJQ-ARILJUKYSA-N 368.434 -0.489 30 20 FBED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055849 GBSWBPWTFGGTQA-GOSISDBHSA-N 366.462 -0.008 30 20 FBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1834711774 MLCKVWSFNANTAL-XJKSGUPXSA-N 358.460 -0.014 30 20 FBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1834768618 GLDGAEOCEQPTOB-BSXFFOKHSA-N 363.414 -0.076 30 20 FBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835188631 VLEVREMSZISFRQ-QGZVFWFLSA-N 351.403 -0.217 30 20 FBED CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837527346 LUXUPGKZMZEFRX-LPICFEOCSA-N 369.418 -0.008 30 20 FBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839808525 TXBBOGWKAZLQTC-GOSISDBHSA-N 369.381 -0.568 30 20 FBED CC[C@H](C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040391 XNIYLHCDWJABQW-KSSFIOAISA-N 366.414 -0.033 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840164417 JFMPFRCEOKKVBB-IAQYHMDHSA-N 359.448 -0.973 30 20 FBED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(=O)n(C)c(=O)n1C 11541073 MASUGBNAVNZUFZ-UHFFFAOYSA-N 372.381 -0.063 30 20 FBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)OC)c1=O 21593279 DJKCSPATAOEVMV-LBPRGKRZSA-N 350.375 -0.395 30 20 FBED COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 29445533 LZPKNOYXFUXNBK-ZDUSSCGKSA-N 360.418 -0.064 30 20 FBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1 51163986 DXUBZFZGQOHNEU-CYBMUJFWSA-N 353.400 -0.523 30 20 FBED CN1CCN(S(=O)(=O)N2CCN(C[C@H](C#N)CCC#N)CC2)CC1 112559780 SKGLDEICNWXSPK-HNNXBMFYSA-N 354.480 -0.460 30 20 FBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOC 255033812 HIWMSANKQGJKSS-UHFFFAOYSA-N 373.434 -0.186 30 20 FBED CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 265950336 UVBHSZWSVAFGMM-UHFFFAOYSA-N 350.400 -0.207 30 20 FBED CCOC(=O)C(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 266445540 MVZPTTCKRMWULG-UHFFFAOYSA-N 372.381 -0.478 30 20 FBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N2CCCS(=O)(=O)CC2)C1 329025238 VDFHKIFJKHJRCB-NSHDSACASA-N 353.466 -0.555 30 20 FBED Cc1nc(O)sc1S(=O)(=O)NCC/N=C(/O)[C@@H]1CN(C)CCO1 329089472 WAWOSZNZGUGXHK-VIFPVBQESA-N 364.449 -0.277 30 20 FBED CC(=O)N1CC[C@@H](/N=C(/O)N2CCN(C(=O)CN3CCCC3)CC2)C1 329976317 FICOABUMVNAEAF-OAHLLOKOSA-N 351.451 -0.239 30 20 FBED CC(C)C(=O)NCC/N=C(/O)N1CCN(C(=O)CN2CCCC2)CC1 330567417 CSYWXOJXHBFBFG-UHFFFAOYSA-N 353.467 -0.087 30 20 FBED C[C@H](C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)n1cnc(C#N)n1 409847951 AICOJXLHEOMRTO-NEPJUHHUSA-N 352.420 -0.263 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CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O 349473327 RYZXRZOFSRJXAB-GHMZBOCLSA-N 359.429 -0.368 30 20 FBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 377943480 BWBOCRXZPZSJGJ-LBPRGKRZSA-N 367.369 -0.186 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 410415642 AKACQUNKZABWRR-CQSZACIVSA-N 362.496 -0.130 30 20 FBED N#CCCN(CCC#N)C(=O)CN1CCC([C@@H](O)C(=O)NC2CC2)CC1 434715196 WVLPPRAOCJWHPD-QGZVFWFLSA-N 361.446 -0.006 30 20 FBED COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 447937106 VEUPWLDIHJYYDE-NSHDSACASA-N 357.775 -0.126 30 20 FBED C[C@@H](C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)n1cnc(C#N)n1 515087287 HJTGGUUABMELDJ-RYUDHWBXSA-N 369.451 -0.512 30 20 FBED COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)cc1 518246201 UXGLRSYCCXSSPV-UHFFFAOYSA-N 352.416 -0.359 30 20 FBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 539688525 GAKVMKANMXFGDL-UHFFFAOYSA-N 359.386 -0.037 30 20 FBED COc1cc(C#N)ccc1S(=O)(=O)NCc1cn(CC(=O)O)nn1 547931724 IIWDMXHROUCNRQ-UHFFFAOYSA-N 351.344 -0.279 30 20 FBED N#CCCOCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 549898294 BVWAXCDVOABIKC-UHFFFAOYSA-N 356.404 -0.385 30 20 FBED C=CCSCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 552194152 RWEVFDHCYCZQPK-CYBMUJFWSA-N 368.503 -0.167 30 20 FBED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)CC1 553675521 SELDJSBJSKUOMS-CQSZACIVSA-N 351.451 -0.327 30 20 FBED COc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCOC2)cc1OC 565953869 VLBALHCUGIMSPL-HNNXBMFYSA-N 369.399 -0.219 30 20 FBED N#CC1(CS(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 579660446 TZKHEKNDUHKVGM-UHFFFAOYSA-N 354.432 -0.613 30 20 FBED C[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 582116306 RJDFWMVHACSRAX-GOSISDBHSA-N 371.397 -0.075 30 20 FBED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2)c1=O 592301455 KKCVTDNCYTVEMQ-QGZVFWFLSA-N 370.369 -0.613 30 20 FBED C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 594510186 AOYRUQPQIXOIJS-RYUDHWBXSA-N 373.456 -0.120 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2[nH]nc3nnc(C)c(C)c23)C1=O 614651763 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363.399 -0.453 30 20 FBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)O)c1 825676167 YDNCBWLRVDDZNP-SNVBAGLBSA-N 363.417 -0.669 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)C2CCC(C(=O)N(C)C)CC2)CC1 825968359 UVPVNZDGKFRWIN-UHFFFAOYSA-N 362.474 -0.225 30 20 FBED C=CCn1cc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)nn1 830119417 ARNNRBDWKPPTMN-UHFFFAOYSA-N 357.374 -0.240 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 831580012 VMVXQBKRVKPFBS-ZDUSSCGKSA-N 352.416 -0.539 30 20 FBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C(=O)OCC1(C)C 848963743 AQJFWNUONAZBMT-UWVGGRQHSA-N 367.449 -0.921 30 20 FBED C#C[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 854767345 SYTZXCIZZFPFIQ-SECBINFHSA-N 356.360 -0.846 30 20 FBED CN1CC(=O)N(CC(=O)OCC#CCN2C(=O)c3ccccc3C2=O)C1=O 859480476 ISCOPYXIYFQTQS-UHFFFAOYSA-N 369.333 -0.277 30 20 FBED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 861744265 VSFOCLKGSGELCQ-UHFFFAOYSA-N 372.378 -0.300 30 20 FBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1ccc(C(N)=O)cc1 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30 20 FBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1783887994 YJNYSHFQRDWPBF-MEBBXXQBSA-N 352.416 -0.056 30 20 FBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1783914314 NQZIKDIEPMFDCQ-KRWDZBQOSA-N 372.385 -0.563 30 20 FBED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786366291 NRTSEMLKMDNBBV-IHRRRGAJSA-N 350.419 -0.348 30 20 FBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1790865759 NBPWEBJBMHXAGX-UNQGMJICSA-N 350.419 -0.206 30 20 FBED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795353486 MNAYJECVTVTXPC-AGGWBTHJSA-N 351.403 -0.457 30 20 FBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1795418344 HMGGFBQSVUBYPG-DABQJJPHSA-N 369.385 -0.369 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC 1795589220 HWZAPQLNGZICBI-PNBKFKSVSA-N 351.447 -0.386 30 20 FBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797385878 FWWYKZWCAJYEIY-JJLQDPRZSA-N 354.370 -0.154 30 20 FBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1800454907 PVNAOQXSJGNALM-JLVBRIDZSA-N 368.430 -0.721 30 20 FBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cncn2)n[nH]1 1817611376 DQAWQLYWQMCZFG-LBPRGKRZSA-N 371.357 -0.219 30 20 FBED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055850 GBSWBPWTFGGTQA-SFHVURJKSA-N 366.462 -0.008 30 20 FBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1835832116 XUDLKHBQPVEUFJ-AWEZNQCLSA-N 360.458 -0.118 30 20 FBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839814 GXUGUNHGRYADIO-RXEWJAMOSA-N 364.398 -0.113 30 20 FBED CN(C[C@@H](O)COCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C 78672193 MBCRADBYDLWVHU-CQSZACIVSA-N 358.398 -0.030 30 20 FBED Cc1nnc(CN/C(=N/C2CC2)N2CCN(c3cnn(C)c3)C(=O)C2)n1C 261945867 FVMVTKBAEAWKIH-UHFFFAOYSA-N 371.449 -0.186 30 20 FBED C/N=C(\NCc1ccc(S(N)(=O)=O)s1)N1CCO[C@H](COC)C1 261988505 SBDGXARQYQZLAZ-JTQLQIEISA-N 362.477 -0.182 30 20 FBED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 267557954 QBRAWZANUWAFRP-NSHDSACASA-N 366.399 -0.407 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(N)=O)CC1 268742889 ZELAVLRMPNAWPQ-LLVKDONJSA-N 364.427 -0.051 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 282305034 MKUIRXDHMSOJTP-GJZGRUSLSA-N 371.463 -0.465 30 20 FBED COC(=O)[C@@H]1[C@H](O)CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 289663751 CWGRAWFPKPRJNZ-OCCSQVGLSA-N 353.400 -0.275 30 20 FBED C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1CO 298072081 YOGCCNWZFQSGRO-DZGCQCFKSA-N 357.414 -0.169 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C1=O 299590033 VGSMIRICDMKCQE-LBPRGKRZSA-N 370.365 -0.115 30 20 FBED CN1CC[C@@H](N(C)/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1=O 329433935 KZGHEBVEYQGEJT-LLVKDONJSA-N 364.493 -0.559 30 20 FBED CN(/C(O)=N/CCN1CCSCC1)[C@@H]1CCN(S(C)(=O)=O)C1 330202304 ZDFWPGZSANGABX-GFCCVEGCSA-N 350.510 -0.085 30 20 FBED C[C@H](O)CN(/C(O)=N/CC1CCN(S(C)(=O)=O)CC1)[C@@H](C)CO 331295293 SLPWLBXLZIPWTL-RYUDHWBXSA-N 351.469 -0.364 30 20 FBED CC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@@H]1O 349443607 AWEGRTLGKHKGHN-ZDUSSCGKSA-N 373.456 -0.120 30 20 FBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349457945 FTUXDWDRAUXNPL-QWRGUYRKSA-N 353.466 -0.760 30 20 FBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349490545 IJZHUXSBSRWKOM-XQQFMLRXSA-N 365.477 -0.806 30 20 FBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)c1C#N 349503704 PSGYTNPEFFBIBK-UHFFFAOYSA-N 372.432 -0.493 30 20 FBED CCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 409527486 CCPQJKGUGMIHMO-CYBMUJFWSA-N 364.493 -0.729 30 20 FBED CC(C)[C@@H](C(=O)O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 417445942 IYRUSAMGHOYMEI-STQMWFEESA-N 366.399 -0.058 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)c1C#N 472278710 MBULZUFADATVAG-UHFFFAOYSA-N 373.417 -0.419 30 20 FBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnccc2C#N)CC1 486211661 FUGUCLPEYUQVCQ-AWEZNQCLSA-N 357.414 -0.042 30 20 FBED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 502018311 SMAPZUXXVOVSDC-UHFFFAOYSA-N 357.439 -0.143 30 20 FBED CCC(=O)NCc1cc(S(=O)(=O)NCC(=O)NCC#N)ccc1OC 511018366 SBYXQVKZJDUUDA-UHFFFAOYSA-N 368.415 -0.361 30 20 FBED CC(C)N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 516517609 UXLPWFNFIOROSC-AWEZNQCLSA-N 364.427 -0.038 30 20 FBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)OC 521443837 DTIAKFJMAXMBCZ-STQMWFEESA-N 362.452 -0.824 30 20 FBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCO1 542899999 XUJRTNNSNDLOSV-NSHDSACASA-N 362.390 -0.578 30 20 FBED CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 548766696 BVZOQZNNQQACPL-IJLUTSLNSA-N 351.450 -0.599 30 20 FBED CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 548766697 BVZOQZNNQQACPL-QJPTWQEYSA-N 351.450 -0.599 30 20 FBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C 580570846 NORIDNDBAPBNEU-WDEREUQCSA-N 367.493 -0.323 30 20 FBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 590986031 KATFQSOHODYCNV-CYBMUJFWSA-N 370.413 -0.661 30 20 FBED C=C(C)Cn1c(COCCOC)nnc1N1CCO[C@H](C(=O)NC)C1 634384474 ZYGMNXTXOKCRJN-ZDUSSCGKSA-N 353.423 -0.032 30 20 FBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)O 645956010 ZTNUAEXMPIZBCM-MNOVXSKESA-N 352.434 -0.545 30 20 FBED C=CCN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CCS(=O)(=O)C1 649707979 LFNRYPYEEBVCAN-LBPRGKRZSA-N 354.432 -0.417 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1=O 658675718 AMQDBJIXAMXPOC-CABCVRRESA-N 364.446 -0.835 30 20 FBED C#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 728857675 RLTIZYQMNSJVCX-UHFFFAOYSA-N 356.382 -0.794 30 20 FBED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC#N)cc1OC 731238463 GQUNWTOAGARIHH-UHFFFAOYSA-N 371.371 -0.835 30 20 FBED CNC(=O)CNC(=S)NN=C(C)c1cccc(S(=O)(=O)NC)c1 731927479 WFOVEMDOUIMIED-UHFFFAOYSA-N 357.461 -0.471 30 20 FBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2Cl)CC1 738373343 GVRAQVPOXLCXIK-UHFFFAOYSA-N 356.835 -0.209 30 20 FBED CS(=O)(=O)CCn1ccc(NS(=O)(=O)c2ccc(C#N)nc2)n1 741201650 PIQUEYWHHDCNNH-UHFFFAOYSA-N 355.401 -0.005 30 20 FBED C#CCNC(=O)COC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 745536426 ATBNWTDGRNKSRV-UHFFFAOYSA-N 370.383 -0.019 30 20 FBED COCCCNC(=O)[C@@H](C)N1CCN(Cn2cccc(C#N)c2=O)CC1 758221377 DLMAOBYTWFIZCW-OAHLLOKOSA-N 361.446 -0.164 30 20 FBED C[C@H](CC(=O)NC1(C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 769261418 CHKKQCHIXMPOND-SECBINFHSA-N 350.400 -0.362 30 20 FBED Cn1c(=O)c2ccc(C(=O)NCc3ccc(C#N)cn3)nc2n(C)c1=O 782020582 VHCMPBLINWZHBF-UHFFFAOYSA-N 350.338 -0.171 30 20 FBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C#N)COC)c1 785082083 OWFBRRZWTCPKMB-LBPRGKRZSA-N 371.415 -0.039 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)C2CC2)CC1 786082728 OYRJIGIWTBATFQ-UHFFFAOYSA-N 355.460 -0.764 30 20 FBED N#Cc1ccnc(N2CCC[C@@H](OC(=O)c3cn(CC(N)=O)nn3)C2)c1 791987330 CTWRHQGKIOQWNP-GFCCVEGCSA-N 355.358 -0.144 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801429271 HFIYIDYPNHHYBX-RFAUZJTJSA-N 354.363 -0.302 30 20 FBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC(C)(C)C(=O)OC)CC1 808294286 XYAZSSMBRKOGAV-UHFFFAOYSA-N 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C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)C1 1783464754 DOVGRYVVYGSDHW-BPUTZDHNSA-N 352.431 -0.059 30 20 FBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784029787 AESQJZAZLKLNBK-SCLBCKFNSA-N 362.430 -0.108 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784254941 VQYBYWFTAOBFNO-SUMWQHHRSA-N 367.402 -0.789 30 20 FBED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(O)O)c2c1 1792901047 VMBJEFNWCDKYJU-ZSBIGDGJSA-N 369.381 -0.003 30 20 FBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795460629 CZKKLSVMFYHRFG-YIYPIFLZSA-N 353.419 -0.745 30 20 FBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1800453219 APLMLKKWKCTVMV-MVWRLGRASA-N 369.377 -0.056 30 20 FBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1800989689 ORVODJBLEAXLRY-XJGUIPMBSA-N 355.460 -0.580 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814704722 FOJMJJJWSBURBF-JQWIXIFHSA-N 350.375 -0.249 30 20 FBED Cn1ncnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1816304334 MTQJCVBKTXHROR-NSHDSACASA-N 371.357 -0.068 30 20 FBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OCC#C)CCO2 1831401486 AFBRNIKOXSKOGJ-QFBILLFUSA-N 362.426 -0.106 30 20 FBED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cccc1=O 1833870206 RXEUFXYTZNWVBM-GOSISDBHSA-N 374.397 -0.631 30 20 FBED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761264 VWPLUHDRSCIIGW-LMKMVOKYSA-N 371.459 -0.485 30 20 FBED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)c1 1838905822 AZGOQYAGDJZCBB-GOSISDBHSA-N 358.398 -0.413 30 20 FBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841298815 FRAIUDNESWPTTM-LBPRGKRZSA-N 366.418 -0.011 30 20 FBED C=CCSCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841883097 HURNJTKBSUQGJH-UHFFFAOYSA-N 366.443 -0.339 30 20 FBED CN1CCN(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1843915385 NTWWGANTHCDBOZ-UHFFFAOYSA-N 370.457 -0.049 30 20 FBED Cn1c(=O)ccn(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1=O 46672124 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Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 375551990 LUMCGTKEFDXMPA-UHFFFAOYSA-N 353.342 -0.421 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)CCO1 409564074 VTSMTUFLNGWYNG-VXGBXAGGSA-N 360.461 -0.643 30 20 FBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1C(=O)O 422742920 SNAJSFUAFAMRCG-TZMCWYRMSA-N 371.397 -0.219 30 20 FBED COC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 433977775 WKLRSTDSURRYPJ-AWEZNQCLSA-N 356.404 -0.306 30 20 FBED C=CCNc1nnc(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)s1 479011185 GYJUPYBDCCTEJQ-UHFFFAOYSA-N 373.460 -0.352 30 20 FBED C=CCNC(=O)CNC(=O)c1ccc(C(=O)NCC(=O)NCC=C)cc1 502726879 WWVOBFSVFJCMJZ-UHFFFAOYSA-N 358.398 -0.249 30 20 FBED N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)c(F)c1 534334907 VRJILVVNQMORNI-VIFPVBQESA-N 366.367 -0.072 30 20 FBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)CO)CC1 534758132 HBECDLBYKYDXRX-UHFFFAOYSA-N 368.397 -0.181 30 20 FBED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 566827596 XNKMYSZMNNNLPY-NSHDSACASA-N 369.385 -0.082 30 20 FBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(CC(N)=O)cc1 589235639 IOJPBYDJBGDYAF-UHFFFAOYSA-N 354.432 -0.089 30 20 FBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)cc1 599962561 SDUTZOCZUBEJFW-KRWDZBQOSA-N 371.441 -0.693 30 20 FBED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)C2)cn1 601475893 UZZASWZNMHCVSV-HNNXBMFYSA-N 358.446 -0.131 30 20 FBED C=CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 666927782 YGFLRLTUDMYSGP-VXGBXAGGSA-N 365.477 -0.896 30 20 FBED CNC(=O)C1(C(=O)NCC#CCNC(=O)C2(C(=O)NC)CCC2)CCC1 681340396 ITDGAWRTTAGZQC-UHFFFAOYSA-N 362.430 -0.945 30 20 FBED C#CCN1CCN(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 764467650 BZDKQQMMJLSOJO-OALUTQOASA-N 361.534 -0.278 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1CCNC1=O 766341589 BOKGYOJUOWNUMB-NSHDSACASA-N 366.399 -0.207 30 20 FBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628833 SCTLIKYQSGUVGV-NWDGAFQWSA-N 363.395 -0.094 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnnn1C 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362.390 -0.020 30 20 FBED CC[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCN1c1cncc(C#N)n1 1091812439 DEMGJRPOQJKDIX-UONOGXRCSA-N 370.417 -0.193 30 20 FBED C=CC(C)(C)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1n1ccnn1 1092101729 CVLDTKUNAMDFFT-NEPJUHHUSA-N 368.405 -0.131 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1092362409 ZQAJCZZGUMYKIV-VXGBXAGGSA-N 371.401 -0.569 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CN1CCNC(=O)C1 1092564776 JCCUDJKBVLUWKM-ZIAGYGMSSA-N 371.445 -0.641 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)nc(CO)n1 1092970643 XEQJEORSSJNVNH-MCIONIFRSA-N 357.414 -0.357 30 20 FBED CC#CCN1CCN(C(=O)Cc2nnc(C)o2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630735 KSTABAAASAMTFV-QWHCGFSZSA-N 352.416 -0.746 30 20 FBED C#CCN1CCN(C(=O)c2nccn3ccnc23)[C@@H]2CS(=O)(=O)C[C@@H]21 1094660801 OMIKSBPDXOCRDX-QWHCGFSZSA-N 359.411 -0.714 30 20 FBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(C)c(=O)cn2)C1=O 1095785367 PLHJZKQQHCQITG-BFJAYTPKSA-N 371.441 -0.098 30 20 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C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C(=O)N2CCC(C)CC2)C1 1102439216 XNVXIMUEDCOKJU-HZPDHXFCSA-N 362.474 -0.322 30 20 FBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1C 1102891203 KTEPOAUDZIWURH-MGPQQGTHSA-N 361.450 -0.515 30 20 FBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C 1104153913 ZEHBNGGEJDAPRQ-ZIAGYGMSSA-N 353.467 -0.318 30 20 FBED CC(=O)N1CCN(C(=O)CNC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)CC1 1105951500 FMPAZEYKIVQNEQ-IIAWOOMASA-N 363.462 -0.479 30 20 FBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1106280298 KXCLBMOIHLFLCE-VXGBXAGGSA-N 367.450 -0.806 30 20 FBED CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC)S(N)(=O)=O 1109559920 YCVZTQHVGZNDOH-CBBWQLFWSA-N 357.476 -0.185 30 20 FBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCS(=O)(=O)CC1 1109778222 DSERLPVIYAKANC-RDBSUJKOSA-N 368.459 -0.828 30 20 FBED C#Cc1cccc(NC(=O)CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)c1 1110272060 HZXDWCXXNIONSX-OAGGEKHMSA-N 369.425 -0.004 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(=O)n(CC)n1 1111161733 ZGGCBHBCOFLSBX-YUELXQCFSA-N 357.414 -0.652 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C2CN(C(C)=O)C2)C1 1111722835 TZMKPCHBBHBZQA-AXHNFQJDSA-N 360.458 -0.427 30 20 FBED CC[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCS1 1117360199 TXWOPUUIGBDORB-CLMBFONXSA-N 366.443 -0.017 30 20 FBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1117874380 XGJTXFGAKGTVSU-HNNXBMFYSA-N 358.442 -0.717 30 20 FBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)C[C@H](O)CN(C)c2ccc(C#N)cn2)O1 1125327259 JUPSDJJBJNZWHV-FVQBIDKESA-N 361.446 -0.072 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](n3ccnn3)[C@H](NC(=O)CSC)C2)C1=O 1128677311 GXOOEGLKIBVJGS-MCIONIFRSA-N 364.475 -0.231 30 20 FBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2N)C1 1128914349 VJEGFMHHYSHLGO-KGLIPLIRSA-N 360.422 -0.548 30 20 FBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC(C)(C)C2)C1 1128950015 YDKXRIFJKPSALM-CABCVRRESA-N 358.446 -0.195 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1 1130014493 OYUPIYMODZISJM-APIJFGDWSA-N 362.434 -0.511 30 20 FBED C=CCCN[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@@H]1n1ccnn1 1130047072 UQRYJIJIHOPDEA-OLZOCXBDSA-N 353.390 -0.053 30 20 FBED N#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@@H]1n1ccnn1 1130112234 SJDMJUFPZXMZRQ-CABCVRRESA-N 359.434 -0.160 30 20 FBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1cn(C)cn1 1130616829 DOHPYRMEULHGQL-KCQAQPDRSA-N 352.460 -0.240 30 20 FBED C=CCCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1c1cn(C)cn1 1130722005 VUEANTVXWCCFOU-DZGCQCFKSA-N 369.491 -0.228 30 20 FBED C=C(C)CNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCNC3=O)n2)O1 1130796470 SSZOWSOGZZEOEA-RWMBFGLXSA-N 362.434 -0.057 30 20 FBED CC(C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1(O)CCOCC1 1142572975 VGDYAEGWEWYKLT-UHFFFAOYSA-N 350.375 -0.496 30 20 FBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC 1160280736 OXDSZJOALJFKER-RHSMWYFYSA-N 361.446 -0.174 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)COCC=C)[C@@H]2C1 1187296766 RVMPNMJESDQMGJ-UONOGXRCSA-N 350.419 -0.267 30 20 FBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CC(=O)N[C@@H](C)CCC)C[C@H]21 1187598303 LALWJBASECFCJL-HRCADAONSA-N 362.474 -0.037 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 1191926802 NUBOVYHPPJXZED-QJPTWQEYSA-N 368.434 -0.837 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1192351008 BUYJCCCVAYVGQX-HUUCEWRRSA-N 366.462 -0.735 30 20 FBED C#CCC1(C(=O)N[C@@H]2CN(CCOCCOC)C[C@H]2O)CCOCC1 1193718051 CHBICVPIMBYENL-HZPDHXFCSA-N 354.447 -0.369 30 20 FBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1194391691 SSVOHVLUFQGGTK-NVXWUHKLSA-N 355.398 -0.308 30 20 FBED COc1cc(C)cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c1C 1194424437 VECUTFQRWKAMLR-HUUCEWRRSA-N 360.414 -0.273 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c3ccccc3nn2C)C1 1197457242 RZTNCWJXKFESHP-DAXOMENPSA-N 369.425 -0.514 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC(=O)NC)C1 1201438184 LZHSGVFWMPOLGA-MCIONIFRSA-N 368.434 -0.760 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C 1206586280 UGZMIKVRPSMMFJ-MGPQQGTHSA-N 354.451 -0.782 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](OC)C1 1213664994 DRRAZXFVNZJXCZ-JGGQBBKZSA-N 362.430 -0.197 30 20 FBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 1214595077 DHGYLJLNFVHHMD-QLFBSQMISA-N 366.462 -0.944 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C 1214702077 UTSSASVEFKGOHS-CHWSQXEVSA-N 363.466 -0.291 30 20 FBED C[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1NCC(=O)NCC#N 1214796623 GEQFSDBMOSNIRF-TZMCWYRMSA-N 368.401 -0.648 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COC(C)(C)C 1217675338 RSTLVAMWFLREEJ-SOUVJXGZSA-N 351.447 -0.149 30 20 FBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1218789691 PPGRRPUBVNVFQS-DLBZAZTESA-N 351.447 -0.730 30 20 FBED C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CNC(C)=O)C1 1219111877 IYQYUUUTOHJDEM-YUELXQCFSA-N 354.451 -0.903 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2F)C[C@@H]1O 1219607148 DVHRDGYXHHNPMT-MAZHCROVSA-N 363.389 -0.036 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 1219772648 STXZJWRPDWZBBG-UHTWSYAYSA-N 371.388 -0.327 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 1220127606 BBGJYEDGALTDGL-FRRDWIJNSA-N 364.402 -0.397 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 1220494426 BLJQXKKNAMXRJE-DFBGVHRSSA-N 357.414 -0.733 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCCC)C[C@@H]2O)nn1 1220508289 FTSHYTIOOBBLLY-SCRDCRAPSA-N 350.423 -0.846 30 20 FBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 1220576899 VSDDPIRGIPESDX-OIISXLGYSA-N 356.426 -0.092 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 1220867891 JNDWPLQTUAKDPS-BJJXKVORSA-N 361.446 -0.458 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 1221004248 CMUIQXFBGGUQMR-OLZOCXBDSA-N 359.386 -0.253 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221288911 ACXVCEIJODUIEJ-YRGRVCCFSA-N 360.418 -0.044 30 20 FBED CC(C)(C)C(=O)NCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221726540 MPIPLUYBMWZBEH-ZIAGYGMSSA-N 363.462 -0.289 30 20 FBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)COC[C@H]3CCOC3)C[C@@H]21 1223607784 YHMQSVHPMJUSGC-XHSDSOJGSA-N 364.446 -0.398 30 20 FBED CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 1226288408 IJDNFHOIYXHWSO-ZIAGYGMSSA-N 362.438 -0.548 30 20 FBED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)C#N)cn1 1254438869 QKOWQSDJFZOHMT-UHFFFAOYSA-N 350.379 -0.750 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1=O 1257798908 XUTRMTYXLSWWDK-OLZOCXBDSA-N 350.419 -0.643 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)nn1 1261449163 STZBJSKLPPCXCC-OAHLLOKOSA-N 364.450 -0.351 30 20 FBED 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CCC(CC)(NC(=O)C1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C1)C(N)=O 553676128 DQBAYQQYGJLRDY-JTQLQIEISA-N 361.406 -0.671 30 20 FBED CN(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O 556974394 XGEJLQVCTIKNOV-GJZGRUSLSA-N 366.443 -0.688 30 20 FBED N#Cc1cc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ncn1 562418435 BOCOYDHBVTUOAV-UHFFFAOYSA-N 373.442 0.307 30 20 FBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)c(C#N)c1 569431046 WNTNVPAWVDJXLT-CQSZACIVSA-N 371.390 -0.151 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4[C@H](O)CC[C@H]4C3)CC2)nc1 590976499 ZIZKBYMXPDYPGZ-ARFHVFGLSA-N 369.425 -0.169 30 20 FBED CC(C)(C)OC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 594786369 CHWNJWSLAXZAEC-NEPJUHHUSA-N 361.420 -0.502 30 20 FBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(N)C2)CC1 598731657 LCUNZXLMENOYMW-KXBFYZLASA-N 368.441 -0.058 30 20 FBED CCNC(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 599037405 AMMROVONULEJAK-UHFFFAOYSA-N 374.401 -0.307 30 20 FBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 602237741 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C#CCCS(=O)(=O)NC(=O)CSc1nnnn1CC(F)(F)F 810783051 CQLLAFUFRQOQRH-UHFFFAOYSA-N 357.339 -0.203 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(C(=O)O)nn1 828499626 DHAACSFUNRRINL-SNVBAGLBSA-N 356.346 -0.625 30 20 FBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)O)CC1 833363923 BGGCTTZLESVXPU-KGLIPLIRSA-N 351.403 -0.898 30 20 FBED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N[C@@H]3CNC[C@@H]3C#N)ccc21 834479511 FEKCPYBSPCKNES-WDEREUQCSA-N 371.401 -0.782 30 20 FBED CCOC(=O)CON=C(C(=O)N[C@H](CO)[C@@H]1CCCOC1)c1cc[nH]n1 840524806 VAYJIJRKSDCWSV-DGCLKSJQSA-N 368.390 -0.403 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@@H]2COC)c1 846452291 GUCBFXHFNAHMCJ-ZIAGYGMSSA-N 352.412 -0.180 30 20 FBED CS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)C1 860040098 FIKGIFMSUWPXMF-ZDUSSCGKSA-N 370.431 -0.143 30 20 FBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NN1CCOC1=O 862695673 CAMBAVPIWZINBB-UHFFFAOYSA-N 352.372 -0.011 30 20 FBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)O)O1 864172178 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CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157618 VXZSTECMXZFYKZ-HEHGZKQESA-N 360.476 -0.222 30 20 FBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840158123 FYZZLKINOMQMLO-ABAIWWIYSA-N 354.432 -0.202 30 20 FBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840173923 XDJSHYXTURTWAP-KSSFIOAISA-N 365.430 -0.290 30 20 FBED C#CCN1CCN(C(=O)C2(C(=O)N3CCN(CC#C)CC3)CCC2)CC1 137529803 GTFFGOQEHDQYRR-UHFFFAOYSA-N 356.470 -0.289 30 20 FBED COc1ccc(C#N)cc1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 143051942 HLPCXSNDLVCGBM-NSHDSACASA-N 366.399 -0.008 30 20 FBED C/N=C(/NCC(C)(C)C(=O)NC)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262781853 LHLUVQJXKPBDPS-ZDUSSCGKSA-N 353.467 -0.343 30 20 FBED Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)c(C#N)c(=O)n(C)c1=O 265498153 XESORXYKSXUZNP-UHFFFAOYSA-N 368.397 -0.619 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@@H](O)C(F)(F)F)C1=O 275138900 NHCOGZZEIMVLMO-MRVPVSSYSA-N 351.281 -0.265 30 20 FBED CNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 282970798 SFLAJUVZRQSBIF-UHFFFAOYSA-N 352.416 -0.260 30 20 FBED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCO)cc1 283514430 KEMLHQAMUBFJMA-NSHDSACASA-N 353.400 -0.576 30 20 FBED CO/N=C/C(=O)NCc1cccnc1N1CCN(C(=O)/C=N/OC)CC1 289541697 QOANEQDLZCMFRG-AYKLPDECSA-N 362.390 -0.389 30 20 FBED CNS(=O)(=O)CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292841051 ZWDBZKMESTUTFZ-LBPRGKRZSA-N 353.404 -0.335 30 20 FBED COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)OC 294100402 RQNRCRDVYKGUCU-MFKMUULPSA-N 369.399 -0.471 30 20 FBED Cc1nc(S(=O)(=O)NC/C(O)=N/[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cn1C 329770787 JCYGZHFZQBTDAB-MVWJERBFSA-N 369.447 -0.027 30 20 FBED COCCO[C@H]1COCC[C@H]1NS(=O)(=O)N(CCC#N)CCOC 409487817 WMJACJTWCHQFLJ-KGLIPLIRSA-N 365.452 -0.497 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)O)C3)CC2)nc1 422741746 QIOAYZCOQCANAU-ZDUSSCGKSA-N 357.370 -0.465 30 20 FBED COC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 433976600 MWPFOWMKENEQBU-ZUZCIYMTSA-N 368.415 -0.503 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)NCCCS(C)(=O)=O)CC2)c1C#N 472079948 YFOPDDHWKFZRNT-UHFFFAOYSA-N 368.463 -0.134 30 20 FBED N#CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 472759467 ZLGASGSXVNEJRW-CQSZACIVSA-N 366.443 -0.188 30 20 FBED N#Cc1ncn(CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)n1 495079598 OJXNNCYWZQVLRT-UHFFFAOYSA-N 368.806 -0.102 30 20 FBED C=CCNC(=O)CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 500051556 DSVRWSVMMOYJKG-IUODEOHRSA-N 369.443 -0.559 30 20 FBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 539653620 BECOJCULLBAZPJ-UHFFFAOYSA-N 367.431 -0.600 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1=O 553286269 LLHPIMZPILTVJE-CHWSQXEVSA-N 360.418 -0.737 30 20 FBED CN(C)C(=O)CN1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 564400126 KINYSXHFKNWXLG-UHFFFAOYSA-N 351.432 -0.216 30 20 FBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[S@@]1=O 574371125 XRYPZGZDARRTGF-SAHAZLINSA-N 355.441 -0.184 30 20 FBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@](O)(C(N)=O)C1 585801720 LOCSBXDOOYWVGS-QGZVFWFLSA-N 369.385 0.292 30 20 FBED CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N)[C@@H](C)O 594634936 FBBBUKPXHAQDKM-MNOVXSKESA-N 361.445 -0.074 30 20 FBED CC[C@@H](O)CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 594635479 OXKCXVMEBNKESH-LLVKDONJSA-N 361.445 -0.120 30 20 FBED N#CCCN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 601474119 MOEYMSVILZUYKV-MRXNPFEDSA-N 363.462 -0.775 30 20 FBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 602269750 RQFJNDFWXVXDBP-CQSZACIVSA-N 374.420 -0.027 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 646953161 WHKMSHUFKVHWOT-ZDUSSCGKSA-N 367.427 -0.275 30 20 FBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(N)n[nH]2)cc1 647748968 BWDKZFADUIOCJP-UHFFFAOYSA-N 350.404 -0.176 30 20 FBED N#Cc1ccc(NCCNC(=O)NCCN2CCCS2(=O)=O)nc1 747110755 SAPPCYOGOKPETO-UHFFFAOYSA-N 352.420 -0.300 30 20 FBED C[C@H](CC(=O)NC[C@@]1(O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 755219889 VTTXQWJSPFQEOT-BZNIZROVSA-N 367.427 -0.229 30 20 FBED C#C[C@@H](NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)[C@H]1CCCO1 773051452 MXZQCHXQKOZILX-GHMZBOCLSA-N 350.356 -0.105 30 20 FBED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@@H]1CCCO1 773790455 MHRBFWKALPDNHN-KBPBESRZSA-N 371.397 -0.747 30 20 FBED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CCOC)C(N)=O)ccc1F 775974733 DVCCICCYUZFLJK-GFCCVEGCSA-N 373.406 -0.090 30 20 FBED N#Cc1cccnc1NCCNC(=O)C(=O)NCCOC[C@@H]1CCOC1 787758051 XATIDCXVAKZANL-CYBMUJFWSA-N 361.402 -0.349 30 20 FBED CCN(CC(N)=O)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 789876940 KLPHTXAKVAEXCL-SNVBAGLBSA-N 352.416 -0.163 30 20 FBED C#C[C@@H](NC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[C@H]1CCCO1 809313452 UYRDKNAUVPCNDV-USXIJHARSA-N 363.458 -0.005 30 20 FBED Cc1ccc(C(=O)N[C@]2(C(=O)O)CCOC2)cc1S(=O)(=O)NCC#N 832911253 JVXHNFIZHXRHBT-OAHLLOKOSA-N 367.383 -0.230 30 20 FBED C=CCN1CCN(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1=O 839970537 ODIHWHIOKCBXOV-UHFFFAOYSA-N 363.418 -0.839 30 20 FBED C#CCCN1CCC(NC(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 845592200 GYQHAHODAGSWPM-UHFFFAOYSA-N 359.434 -0.492 30 20 FBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 849220899 QUUPZDJQKJMKOT-UHFFFAOYSA-N 360.413 -0.355 30 20 FBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 850708368 ILCDMJLSDSWHOD-SNVBAGLBSA-N 357.388 -0.530 30 20 FBED C#CC[C@@H](CCOC)NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 859027350 BLNWUSRRROUYLH-UONOGXRCSA-N 373.475 -0.250 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 893794945 OZXMSVIRDRUXPG-AJNGGQMLSA-N 358.460 -0.730 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(C)n2)CC1 894517058 QYSKVBZPJMPZSK-UHFFFAOYSA-N 365.459 -0.273 30 20 FBED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 916869957 AKEMYTBSANYMGJ-BDJLRTHQSA-N 350.375 -0.432 30 20 FBED CNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 917002709 SMJTWDLTPYOLRK-ZDUSSCGKSA-N 351.384 -0.224 30 20 FBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC1CS(=O)(=O)C1 942564619 ZXTCSJKVDZTKIQ-ZIAGYGMSSA-N 354.428 -0.824 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1C 950532342 HYRONLRJWWBERE-YUELXQCFSA-N 357.414 -0.144 30 20 FBED CC(C)n1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 962332765 CSBNHLWHWQPVKV-OCCSQVGLSA-N 357.374 -0.326 30 20 FBED CCn1nc(C)c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 962347612 ZMZMQDJWFJVPQQ-OLZOCXBDSA-N 357.374 -0.579 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 967212263 KRWNFLCYZIBIRU-IXDOHACOSA-N 365.474 -0.051 30 20 FBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2O)cn1 968817176 YQQGGTJSEPHDGV-KGLIPLIRSA-N 355.354 -0.095 30 20 FBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2O)C1 970395398 XOTRNTYHQATNEO-CABCVRRESA-N 351.447 -0.247 30 20 FBED NC(=O)CCc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cc1 970416134 MMPIQIYGOYBLTL-SJORKVTESA-N 369.421 -0.181 30 20 FBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 970420504 KGQSCUJPBPFAKY-CJNGLKHVSA-N 370.409 -0.012 30 20 FBED Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(C(=O)C#CC3CC3)C[C@@H]1O)C2 970649252 CCNUYZSHOBTJJD-UAGQMJEPSA-N 356.426 -0.145 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)c4nnn(C)n4)[C@@H]3C2)cn1 974813506 HWTZLUMCDMRTGQ-TZMCWYRMSA-N 351.370 -0.427 30 20 FBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)Cc4nc[nH]n4)C[C@H]3C2)nn1 986118031 LGCRQNUIYBHQLV-OLZOCXBDSA-N 370.417 -0.255 30 20 FBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)[C@H]2C)nn1 987584229 RGFNTLDRHCVYCO-AGIUHOORSA-N 360.418 -0.291 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(=O)n(C)cn2)C1 992422625 FHEUBLPDJYQVGO-SJQFEJMWSA-N 360.414 -0.004 30 20 FBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 994192862 GOQUELLTAMGJID-WCVJEAGWSA-N 360.458 -0.427 30 20 FBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 995428958 NDMHRACHAAIDFI-WCFLWFBJSA-N 365.415 -0.970 30 20 FBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncnn2)nc1 996697730 DDBMWFBNWOEJKM-SNPRPXQTSA-N 351.370 -0.389 30 20 FBED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@H]2CCC(=O)N2)nn1 998253030 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C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3cc(C)n(C)n3)[C@H](OC)C2)C1=O 1081414935 AOZCCRWIUZYBDG-OWCLPIDISA-N 361.446 -0.056 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]2OC)c1 1082116963 GSCKIFAUWDZXSZ-ZIAGYGMSSA-N 356.386 -0.886 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)n1 1090499581 FWDVUQISJDXUNR-CKEIUWERSA-N 358.446 -0.083 30 20 FBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)CCc3cnn(C)n3)C2)c1C#N 1091182555 SNMWSHIWMZKSBK-OLZOCXBDSA-N 361.431 -0.250 30 20 FBED N#Cc1ccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)CCNC(N)=O)C2)cn1 1092098836 WLVHYUXMEXTUKC-KGLIPLIRSA-N 369.389 -0.851 30 20 FBED C=CCCN1CCN(C(=O)C[C@@H]2COC(=O)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094623796 FOMDQAKPSSFOHF-MELADBBJSA-N 356.444 -0.175 30 20 FBED COCCN1C[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)CC1=O 1099259816 AFTVBGZXNPMGMP-QJPTWQEYSA-N 362.352 -0.016 30 20 FBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1101399109 JUMWVGNUZUVKCX-ACJLOTCBSA-N 367.413 -0.237 30 20 FBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1101456419 UKKZAPDBJTWUKY-KDOFPFPSSA-N 357.414 -0.732 30 20 FBED C=CCN1CC[C@H](N2C[C@@H](C)[C@H](CNC(=O)CNC(=O)CC)C2)C1=O 1101822641 WWEITXNSWNTUEZ-KFWWJZLASA-N 350.463 -0.016 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1102060553 GBEZEXLBLCERRV-HZSPNIEDSA-N 359.430 -0.784 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 1102277286 BCLHMWNFFSWPMP-PBFPGSCMSA-N 370.425 -0.189 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1102482318 PEXPMMSICAIYPJ-MBNYWOFBSA-N 359.430 -0.451 30 20 FBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C 1104287218 YBXQEVJHONMJLT-QLFBSQMISA-N 350.463 -0.111 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC2CCCC2)C1 1106034593 HVNULGGYIJJDDI-HUUCEWRRSA-N 362.474 -0.131 30 20 FBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C 1106087009 PXGBVWOGLKNZSL-MGPQQGTHSA-N 353.467 -0.320 30 20 FBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C 1106391132 VSXSKTMERXBTDN-QLFBSQMISA-N 369.487 -0.755 30 20 FBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2c(O)nnc(C)c2C)C[C@H]1C 1106509192 GOFYMOMURHCGOT-BXUZGUMPSA-N 359.430 -0.154 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CN[C@@H](C)C(=O)NC(N)=O)C2)c1 1106650341 KGFPPEJWATYFLN-TYNCELHUSA-N 357.414 -0.056 30 20 FBED C=CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C)CCC[C@@H]12 1107367347 AFJCQAMPAQMGSG-FRQCXROJSA-N 364.490 -0.020 30 20 FBED C=CCNC(=O)CN1CC[C@@]2(CNC(=O)Cn3cnnc3O)CCC[C@@H]12 1107376635 MTDHVRFJINSDBH-CXAGYDPISA-N 362.434 -0.353 30 20 FBED COCC#CCN1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1108466841 SODKCJIWUZSUMV-DMRKSPOLSA-N 366.483 -0.008 30 20 FBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1108573088 MLUUIAXKSYLVIN-VNHYZAJKSA-N 364.446 -0.743 30 20 FBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(OC)n(C)n1 1109504693 JPOUALROWGJFCO-XFMPKHEZSA-N 359.430 -0.098 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnn(C)c2C1 1109644999 LQWMCIPDABBISR-XRGAULLZSA-N 372.473 -0.056 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2nccc(C)n2n1 1110057049 WILIWJDWVJLANC-RDBSUJKOSA-N 367.413 -0.483 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)C(C)C 1110113672 BWGGTULRHDOHCQ-RDBSUJKOSA-N 357.476 -0.167 30 20 FBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)ccn2)C1 1112027393 GBTGMEMUUMMXLD-UGSOOPFHSA-N 370.413 -0.595 30 20 FBED C#CCOc1cccc(NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1 1116059035 HCHBNMOFUYLIQZ-UHFFFAOYSA-N 353.400 -0.355 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)C1=O 1117548040 KGHVRGLAHZPCQB-CHWSQXEVSA-N 365.434 -0.848 30 20 FBED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)C[C@@H](C)O2 1118249531 HQRZTFHNGVVLSF-GFOFROLCSA-N 351.403 -0.342 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 1118253937 UIPQKMQLZCHDSH-MRXNPFEDSA-N 362.474 -0.083 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@@H]1n1ccnn1 1128824347 BDOSGPGCPFFMDK-KFWWJZLASA-N 364.450 -0.263 30 20 FBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C23CCC(CC2)C3)C1 1129072321 ZCOOKVVUGWPCIK-DGSCNEQVSA-N 371.445 -0.160 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2n2ccnn2)cn1 1129397092 PMDPEODCJKYAIP-ZACQAIPSSA-N 370.413 -0.683 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 1129982969 LJIAPEBHDRBOJJ-KGLIPLIRSA-N 359.390 -0.781 30 20 FBED CCOCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130532152 XDQRVFUJERITMB-DZGCQCFKSA-N 362.434 -0.630 30 20 FBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC(=O)N3)n2)O1 1130790094 HJGWDZKVRGJAMJ-YNEHKIRRSA-N 360.418 -0.468 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COC(C)C)C[C@H]1c1cncn1C 1130933352 WESDUVJTPFAJQM-HUUCEWRRSA-N 361.446 -0.522 30 20 FBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1c1cncn1C 1130998875 DXCCHRPQAXXRGB-RRFJBIMHSA-N 361.446 -0.522 30 20 FBED C=CCCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1c1cncn1C 1131079512 NOKAVAODTNOMBO-MGPQQGTHSA-N 369.491 -0.182 30 20 FBED CC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CS(=O)(=O)NC)CC1 1131604871 KNXYAHJZFLAGEG-ZBFHGGJFSA-N 357.476 -0.455 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCC(=O)N(C)CC(=O)NCCC 1135145723 QZVSRTYSYDWDMQ-YOEHRIQHSA-N 368.478 -0.342 30 20 FBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CO 1179850875 IYWMEYDBPAMPFA-YPMHNXCESA-N 369.443 -0.247 30 20 FBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1O 1191609255 QUSUCZZYUAQCGV-MGPQQGTHSA-N 363.418 -0.442 30 20 FBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1O 1192329420 YRUMEYVLUFTMEJ-ZIAGYGMSSA-N 366.462 -0.034 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)COc2cc(C)ccc2F)C1 1192997323 MGGISDUITYWBIP-HUUCEWRRSA-N 363.389 -0.576 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)c2)C1 1193662686 OTRHEIHQVFXOAU-HUUCEWRRSA-N 358.398 -0.811 30 20 FBED 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C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H](OC)C1 1213496310 MMPBBYGBLKNMDO-IACUBPJLSA-N 367.837 -0.510 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C 1214909867 ZJGFVABCNKZKSA-XNRPHZJLSA-N 358.442 -0.118 30 20 FBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C 1215733144 XFMWHIAHMKUAPN-KWCYVHTRSA-N 361.446 -0.075 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 1219688293 YCROJZBZKGCLTM-UHTWSYAYSA-N 367.837 -0.531 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1219818281 OWVXYDSGDAMTOO-DFBGVHRSSA-N 370.413 -0.510 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219821563 QWFOKTIPOSXXKH-IKGGRYGDSA-N 362.474 -0.838 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccc3c[nH]nc23)C1 1220114433 FILLKTOTYVZQTP-GLQYFDAESA-N 355.398 -0.524 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2Cc3c(C)cccc3O2)C1 1220771411 RVEMLTUEPORVJH-HLLBOEOZSA-N 359.426 -0.238 30 20 FBED 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366.395 -0.435 30 20 FBED C#C[C@H](NC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F)[C@@H]1CCCO1 875326395 YXCYTZHAHALMDB-DCAQKATOSA-N 359.308 -0.205 30 20 FBED C=CCCC(=O)[C@H]1CCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 908634545 BNDXABUMZBMOQE-GFCCVEGCSA-N 373.413 -0.040 30 20 FBED C=CCn1cc(C(=O)N2CCCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 943542492 WTNYYCAPTBAFFL-XQQFMLRXSA-N 360.418 -0.304 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@H](OC)C2)c1 945273007 ARKXFVBMTNMPPJ-OWCLPIDISA-N 370.409 -0.361 30 20 FBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O 948205098 AKBWGGQIFMGTGX-UBHAPETDSA-N 358.358 -0.939 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C)nn1 949741633 WXZJIRYTXMCMNE-FRRDWIJNSA-N 360.418 -0.433 30 20 FBED CN(C)c1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 962389149 QECJEGHHDGPVPA-KGLIPLIRSA-N 369.385 -0.642 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cnc4cccnn34)C[C@@H]2O)c[nH]1 962393365 RQNRDBZSNIZYJZ-OCCSQVGLSA-N 365.353 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C#CCNC(=O)CC(=O)N1C[C@@H](NCC(=O)NC(CC)CC)[C@H](C)C1 1214480326 SRMUSOBICMSGHO-UKRRQHHQSA-N 350.463 -0.133 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215292033 NKFUYEPJTRJUDM-YUSALJHKSA-N 363.422 -0.436 30 20 FBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C 1215847558 CZLKSCCMDQGWMS-TZMCWYRMSA-N 362.434 -0.209 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOC 1217153052 YFPMGYBGNVDWSX-MELADBBJSA-N 368.434 -0.665 30 20 FBED C=CCOCC(=O)N1CCO[C@@H]2CN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1217522979 CYTUEARPLRSMBQ-QLFBSQMISA-N 360.476 -0.219 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OC)no1 1217680878 RLNNOFYSCJGEMW-MBNYWOFBSA-N 364.402 -0.101 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCC(C)CC1 1218826388 RTUUFYSKTFIDOR-DLBZAZTESA-N 362.474 -0.621 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cc(C)cn1 1219051077 XHGYFKAWDZYMRM-JKSUJKDBSA-N 359.430 -0.757 30 20 FBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 1219850060 ZMUPPPONCSBBAL-YPMHNXCESA-N 360.336 -0.130 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 1220203853 RTTMTINHIBJEFP-XHSDSOJGSA-N 358.442 -0.035 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 1220381935 ZRWDNBJBJQYHQG-MXWKQRLJSA-N 362.377 -0.549 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1220659017 KIRXOKHGRIJYFI-CABCVRRESA-N 363.418 -0.718 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 1221009775 KZBKYYPJZOZCJT-LYRGGWFBSA-N 361.446 -0.884 30 20 FBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)C4)[C@@H]2C1 1221569498 INZBELZSUAHXFU-GDBMZVCRSA-N 367.409 -0.033 30 20 FBED Cc1c(CCC(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)cnn1C 1221577879 KEKLEIBLMKOPMK-HZPDHXFCSA-N 358.446 -0.166 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 1223064149 SAJCABGSDBSMPC-CJNGLKHVSA-N 371.441 -0.590 30 20 FBED C=C(C)CN1CCC(NC(=O)C(=O)NCCS(=O)(=O)NCC)CC1 1322630220 DBKMESDAYJLSHH-UHFFFAOYSA-N 360.480 -0.801 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 1323767590 ZNRFSIQCFNBSSY-WFASDCNBSA-N 360.432 -0.890 30 20 FBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1323782896 WDNAHMXCCRMKFK-QWHCGFSZSA-N 360.414 -0.202 30 20 FBED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)NCC3(CC#N)CC3)C2)nn1 1324174613 RRRLPUKYGIKSDO-NSHDSACASA-N 360.374 -0.352 30 20 FBED CSC[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326598386 YNGKBZZHQPXKMN-LYZGCBJASA-N 366.443 -0.017 30 20 FBED C[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1CO 1328519422 RULQOORRCKKAET-GHMKZFAXSA-N 364.402 -0.894 30 20 FBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1344754800 CVTYXJUBYWUJQD-UHFFFAOYSA-N 363.462 -0.239 30 20 FBED CC(C)NC(=O)[C@@H](C#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1347063432 KBFJDHSSHMVBBI-QWRGUYRKSA-N 368.415 -0.615 30 20 FBED N#Cc1ccc(C(=O)N2CC(n3cc(CNCCc4cnn[nH]4)nn3)C2)[nH]1 1577712368 KPXMQYCJMOYNJW-UHFFFAOYSA-N 366.389 -0.375 30 20 FBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc(CC#N)cc2)c(=O)n1CCO 1580521934 DWMNTZQIROQCPU-UHFFFAOYSA-N 367.369 -0.395 30 20 FBED N#Cc1ccc(C(=O)N(CCO)CCN=c2cc[nH]cc2-c2nn[nH]n2)[nH]1 1581870816 UEQNAXOTNVGSSR-UHFFFAOYSA-N 367.373 -0.570 30 20 FBED C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 1588330431 BYUUCUWMGRCBEG-CABCVRRESA-N 366.381 -0.689 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1588350939 BADZRLWLHFQVHD-OCCSQVGLSA-N 367.417 -0.551 30 20 FBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353260 MECQPPMGDJAFOW-RYUDHWBXSA-N 370.417 -0.616 30 20 FBED C=CCOCCN1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588683320 QYVRYWQILMPFID-UHFFFAOYSA-N 361.406 -0.436 30 20 FBED CCN(CCC#N)C(=O)CNCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1590691001 PIAHLWDHXAGYGO-UHFFFAOYSA-N 373.421 -0.381 30 20 FBED COC(=O)c1cccc(Cn2c(O)ncc(-c3nn[nH]n3)c2=O)c1C#N 1591302702 XYSLISFJNUAAIR-UHFFFAOYSA-N 353.298 -0.164 30 20 FBED N#CC1(C[C@@H](O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)O)CCOCC1 1601054072 FMMKWJFPPJDMNR-QWHCGFSZSA-N 360.432 -0.369 30 20 FBED C#CCN1CCC[C@H](NC(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1602720861 JUYWZKMIKNIZOF-MAUKXSAKSA-N 364.446 -0.345 30 20 FBED C#CCOCCC(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nn[nH]n1 1602729290 NJEOOLKLKJPJCY-GFCCVEGCSA-N 359.390 -0.501 30 20 FBED CC#CCCCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1602891516 GDBNAPLIQFGVKP-KRWDZBQOSA-N 370.417 -0.092 30 20 FBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1 1602946429 WVRBNSYYFMEOFB-GFCCVEGCSA-N 371.353 -0.206 30 20 FBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)cc1 1605597240 IMDPNSWIDSIDSO-AWEZNQCLSA-N 372.381 -0.130 30 20 FBED N#Cc1cn(CCNC(=O)c2ccc(Cn3ccnn3)cc2)c(=O)nc1O 1641034236 WEYPNNTZYKTDEW-UHFFFAOYSA-N 365.353 -0.110 30 20 FBED CN(C)C(=O)N[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1642503259 QTLGWOXXGBVNGU-LBPRGKRZSA-N 362.390 -0.527 30 20 FBED COC(=O)C1(C#N)CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 1643109774 ASFSUUGGTZVYSB-CHWSQXEVSA-N 350.419 -0.122 30 20 FBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1757004101 UXDHZLBZNDGXNJ-HUUCEWRRSA-N 350.419 -0.448 30 20 FBED C=C[C@](C)(CCOC)C(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 1757113755 NECRVQJGWYJXQJ-CKEIUWERSA-N 355.435 -0.307 30 20 FBED CC#CCCCC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2nnn(C)n2)C1 1757391808 HNUOXKROTJRYSW-ZIAGYGMSSA-N 362.434 -0.003 30 20 FBED O=C(O)C#CC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783561561 ZFGBEBSNRPSFKK-FQEVSTJZSA-N 366.373 -0.044 30 20 FBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1784199572 KRDXHHLLCUVUSV-KRWDZBQOSA-N 360.418 -0.303 30 20 FBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1791260577 XHSJRQZOTPKGFA-BJDJZHNGSA-N 364.489 -0.671 30 20 FBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794589297 DRYRTYNLEAXCOZ-FQUUOJAGSA-N 363.418 -0.391 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795199733 UTXOZMITCHVJKL-LXBXGBMDSA-N 351.403 -0.919 30 20 FBED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n[nH]1 1795960330 KKUIOJWORAYVMB-CULMDFNYSA-N 360.370 -0.737 30 20 FBED Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(O)n1 1798657271 VLZKLOXIAYTSMB-DRXBFXEBSA-N 373.365 -0.613 30 20 FBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1800452067 MUBYSQBSTNSYQR-SFNKJDCFSA-N 353.422 -0.076 30 20 FBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)CC1 1801064540 KUAPNIFAQNYDKT-GUIRCDHDSA-N 360.414 -0.594 30 20 FBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840175363 MHFMWSFUVSRMKV-KRWDZBQOSA-N 366.414 -0.028 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C)c(S(N)(=O)=O)c1 12678073 PQYHFPOCAIMMNU-UHFFFAOYSA-N 355.372 -0.189 30 20 FBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 16776032 NARIYGUPGZEVSS-AWEZNQCLSA-N 362.411 -0.330 30 20 FBED CN(CCCc1n[nH]c(N)c1C#N)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 162706440 WWPRIBNTSPSWNB-UHFFFAOYSA-N 371.405 -0.798 30 20 FBED COc1ccc(CN/C(N)=N/C[C@H](O)CN2CCOCC2)cc1OC 264128562 SPBVTOMPMOJSJF-AWEZNQCLSA-N 352.435 -0.199 30 20 FBED COc1ccccc1/C(N)=N/OCC(=O)NCCCN(C)S(C)(=O)=O 268586273 CZBLUIHCPANEHU-UHFFFAOYSA-N 372.447 -0.270 30 20 FBED CN(C)CCn1ccc(N/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)n1 330888473 UIBBZUTXOUSEIR-GFCCVEGCSA-N 358.468 0.195 30 20 FBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349511319 RWNPFNOJRJDCBD-UHFFFAOYSA-N 374.444 -0.255 30 20 FBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H](O)C1(C)C 349535403 AIHCTSCPYGGZEZ-WOPDTQHZSA-N 367.493 -0.371 30 20 FBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349600104 CDGRWLMNEVAVFZ-VXGBXAGGSA-N 353.466 -0.663 30 20 FBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 371728529 SCQQPWWVGSYPAT-NSHDSACASA-N 353.466 -0.690 30 20 FBED CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 571343670 HKFYSUYQEXYXDI-UHFFFAOYSA-N 358.445 -0.575 30 20 FBED CS(=O)(=O)N1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 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C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CCO1 349553032 OEZOBBNPZQOOFA-NEPJUHHUSA-N 353.466 -0.351 30 20 FBED CCC[C@H](O)[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 412535434 QCCYVDDUUVTZTM-UGFHNGPFSA-N 369.443 -0.137 30 20 FBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)n2)c(Cl)c1 440478554 LLNFRDHAAYWGFB-JTQLQIEISA-N 372.772 0.341 30 20 FBED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(C#N)c1 497557340 WIIKIPQEVYZUIB-OAHLLOKOSA-N 374.397 -0.123 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C(=O)OC)c(C)o2)C1=O 522974129 RZJLTRQIARNDBY-UHFFFAOYSA-N 363.326 -0.032 30 20 FBED CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 534205750 XSXWGKVEUYCRAG-UHFFFAOYSA-N 354.388 -0.582 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCNC1=O 535473401 CWQUCTMPEIQLDQ-MFKMUULPSA-N 350.400 -0.428 30 20 FBED C[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CO1 568252501 VPTKEUWULAQLJN-QWRGUYRKSA-N 359.429 -0.056 30 20 FBED C[C@@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1cccc(C#N)c1 587717930 MQVBPGUMFQTOIC-MFKMUULPSA-N 350.400 -0.375 30 20 FBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H]4CCN[C@H]4C3)CC2)c1 591572995 ANVGOEIESJGCHW-CVEARBPZSA-N 368.441 -0.188 30 20 FBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 591582645 NIYJSANQCNHXJD-NWANDNLSSA-N 373.413 -0.492 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4(N)C3)CC2)nc1 598730739 AFHGLDDSPBPRAX-BEFAXECRSA-N 368.441 -0.058 30 20 FBED COc1cc(NC(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)cc1C#N 599977966 GNVDXAORSSBRSU-DTORHVGOSA-N 360.301 -0.625 30 20 FBED O=C(CN1CCCCC1=O)NCC#CCNC(=O)CN1CCCCC1=O 680339133 BXEVMGICJWYOBU-UHFFFAOYSA-N 362.430 -0.753 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 728608909 WVRKMFDYRYKELG-UHFFFAOYSA-N 360.389 -0.551 30 20 FBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCNS(C)(=O)=O 780044969 QPBXQHTWWVRLGB-NSHDSACASA-N 368.415 -0.029 30 20 FBED CN(C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N 843459619 HDJYYQGUPHKINC-OCCSQVGLSA-N 350.444 -0.137 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nccs2)CC1 892517533 NTAGAFMDJAAWJA-UHFFFAOYSA-N 357.461 -0.520 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)CC1 895210722 RZFCGEKTPRELSL-QWHCGFSZSA-N 366.447 -0.316 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncn1C 960585712 UWLKPNRZOLHCHQ-BHYGNILZSA-N 371.441 -0.431 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc2[nH]nnc12 960689006 RJPNUZHZHJLIGP-ZMLRMANQSA-N 355.358 -0.436 30 20 FBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cncnc3)C2)nn1 962557515 NISJCUGUDPDISN-HIFRSBDPSA-N 371.401 -0.812 30 20 FBED C#Cc1cncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 964353515 ABLQXSSKBKHQLJ-KFWWJZLASA-N 356.382 -0.859 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)nc1 969348422 MWBNKIIDWGWLLX-ZLVKTETGSA-N 355.394 -0.068 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)cn1 969354071 UFAJFQBBHRATSE-KOZAUXTDSA-N 370.409 -0.734 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@@H]2O)cc1 969477581 CCCIPTNQYBWJMI-XHSDSOJGSA-N 355.394 -0.504 30 20 FBED Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)ccc1=O 971874368 APCZFJGUBCJLKA-IAQYHMDHSA-N 366.381 -0.033 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](c2cnn(C)c2)C1 982405903 YORNRFORIBVSKB-KGYLQXTDSA-N 371.401 -0.257 30 20 FBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C)cn1 989160031 XKSAMMGSXSVYJR-SKDRFNHKSA-N 368.353 -0.308 30 20 FBED C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C)CC1 990012957 OOOXKFLPGABNHY-OJLVUWQFSA-N 360.458 -0.441 30 20 FBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)cn2)[C@H]2CS(=O)(=O)C[C@H]21 995458073 YWDACYYCQDCYLZ-UHTWSYAYSA-N 365.415 -0.970 30 20 FBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CS(=O)(=O)C2)c[nH]1 1002973210 XWQGPBQXHDRLKZ-MCIONIFRSA-N 362.411 -0.207 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)nc1 1021039281 HFBGMBQEQIFSDF-DZGCQCFKSA-N 351.370 -0.578 30 20 FBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1COCCN1CC(F)F 1024742492 FFSFVCCVXMSMDK-HZSPNIEDSA-N 371.384 -0.946 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)C[C@H]2O)cn1 1024928853 CYPULMZUCHMMRU-NVXWUHKLSA-N 366.377 -0.325 30 20 FBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1O 1024956180 RBWIQTATHAOMMH-QZTJIDSGSA-N 369.421 -0.623 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CCn3cc(C)cn3)C[C@H]2O)c1 1025554952 XQFJBCGWUMMRNY-IAGOWNOFSA-N 367.409 -0.040 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1O 1025711466 VGGGPSFZAUZNHD-SYQHCUMBSA-N 351.428 -0.035 30 20 FBED CN(C)c1ncccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041050773 IQLVBUHVDSKPGM-ZIAGYGMSSA-N 353.386 -0.211 30 20 FBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cc4ncccn4n3)C2)nn1 1041135082 MTCPUMNFUVVVIF-CHWSQXEVSA-N 350.342 -0.630 30 20 FBED CCCN1C[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)CC1=O 1041367218 FGGIESVRVWUKMG-RBSFLKMASA-N 357.414 -0.123 30 20 FBED Cc1c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)nn2c1OCCC2 1041411781 SKVJMKPMNZWXEM-CHWSQXEVSA-N 369.385 -0.385 30 20 FBED C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cn1ncn(C)c1=O 1042328831 JEIMDYBHAIXOIK-ZWNOBZJWSA-N 359.365 -0.371 30 20 FBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1cc(C2CC2)nn1 1042905927 FKHZPMUGOJUHRQ-HUUCEWRRSA-N 368.401 -0.163 30 20 FBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1 1043022977 RUUCNEXQPRKHBF-ZIAGYGMSSA-N 354.370 -0.319 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ccc(C)n2)C1 1043257235 OSAJWPJPZNCOJM-CABCVRRESA-N 362.430 -0.138 30 20 FBED Cn1oc(C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)cc1=O 1043704747 HVMDIFWYRCRXEP-WCQYABFASA-N 356.342 -0.630 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1043798832 HQVCNUFJABHAGY-ZOBORPQBSA-N 371.401 -0.474 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cccnc3C(N)=O)C2)cn1 1043989385 QWCCLILETZBGRI-KGLIPLIRSA-N 352.354 -0.573 30 20 FBED CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)C1 1044175594 NADHPDACMLYMMV-BNOWGMLFSA-N 358.402 -0.728 30 20 FBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1053158372 RGFHTJGUDREOIS-MHDGFBEUSA-N 358.402 -0.430 30 20 FBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)nn1 1055344077 GSDOCPSGLGNIPA-LPWJVIDDSA-N 362.415 -0.734 30 20 FBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 1055373952 COJOYHZUMXWKPZ-LVQVYYBASA-N 370.413 -0.179 30 20 FBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)O1 1056412806 MHHMLPFYEWBOAP-FQUUOJAGSA-N 370.413 -0.465 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057989318 KPCDLYWOSJPUDC-BBRMVZONSA-N 355.435 -0.440 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 1058074522 DMLCVIAMXLUMBL-MJBXVCDLSA-N 353.419 -0.817 30 20 FBED C=CCOCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061905815 LRLVQKYISGGGKN-MCIONIFRSA-N 353.419 -0.566 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1065248353 CLMQKURXGDJOHG-YDHLFZDLSA-N 368.434 -0.760 30 20 FBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1069913210 WATKMFIACQXKBB-KGLIPLIRSA-N 352.826 -0.150 30 20 FBED Cn1ccc(CN[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)cc1=O 1070192557 CBKIIWMRXHENAW-SJORKVTESA-N 366.425 -0.068 30 20 FBED C#CCN[C@@H]1CN(C(=O)c2cccn3c(O)nnc23)C[C@@H]1n1ccnn1 1070311073 MMRLDXKXRRHUEW-OLZOCXBDSA-N 352.358 -0.685 30 20 FBED C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cn4cnnc4O)[C@@H]3C2)C1=O 1075711068 ZJESFOCTFMUPFK-MELADBBJSA-N 360.418 -0.697 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]2O)[nH]1 1076898336 DLLCRARZVGIZSF-HUUCEWRRSA-N 366.443 -0.514 30 20 FBED Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O 1077315023 GEFZYISXEGBHDB-NVXWUHKLSA-N 367.409 -0.029 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CN1CCC(=O)NC1=O 1078416637 PMWOKXRXLOSLHB-XQQFMLRXSA-N 366.418 -0.470 30 20 FBED CN1C[C@@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]2O)CC1=O 1083504800 QCUSMSQOUDVTSR-IMJJTQAJSA-N 360.389 -0.163 30 20 FBED COc1ccc(C#N)cc1CN1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1083699288 RRXAJLSELRRDLV-HIFRSBDPSA-N 371.397 -0.019 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccc4nonc4c3)C2)C1=O 1083746289 YATZDBSAHKUUDV-OAGGEKHMSA-N 371.397 -0.215 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(Cc3cnnn3CC)C[C@@H]2O)nn1 1083846669 LWQNMTUSEFFZDJ-HIFRSBDPSA-N 360.422 -0.559 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1089089482 JDIDOYZTFSJNIU-IGCXYCKISA-N 368.401 -0.447 30 20 FBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CCNC(=O)c3ccco3)C2)cn1 1090425961 DUOLLTCDMVWFOX-CHWSQXEVSA-N 370.369 -0.573 30 20 FBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)c(C#N)cn1 1090497563 ROKAKMHRYQEBAB-GDBMZVCRSA-N 355.402 -0.001 30 20 FBED CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091126333 NGYFCKPULJWGQD-RDBSUJKOSA-N 360.418 -0.298 30 20 FBED COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O 1091190246 MGMOQYBZQDGERP-YVLXSGLVSA-N 364.377 -0.486 30 20 FBED Cc1occc(=O)c1OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091199823 SPFGVAIZDQYSOD-OCCSQVGLSA-N 371.353 -0.645 30 20 FBED CC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C 1092064637 FPQLQXILXZRBOJ-RISCZKNCSA-N 358.402 -0.711 30 20 FBED C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092918449 YUYXHGAAMBYZJD-RYDUCSDGSA-N 364.431 -0.488 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCCOCC)C[C@@]2(C)C1 1101232271 OQKINTLGWGGTJR-MDZRGWNJSA-N 365.474 -0.042 30 20 FBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1102593654 FNEVGCKUWSCNLJ-RBSFLKMASA-N 360.462 -0.173 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCCS(C)(=O)=O)C1 1104097587 SGZSCBOFAKIXOX-ZIAGYGMSSA-N 357.476 -0.755 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC(=O)NC)C1 1104128469 JFMIQRYYIYRDNI-XNJGSVPQSA-N 354.451 -0.157 30 20 FBED C[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1CNCC(=O)NCC#N 1106140320 QRMXOUGPHSQDCA-CHWSQXEVSA-N 359.434 -0.059 30 20 FBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C 1107048242 IHIKBFGKLIQVOG-HZSPNIEDSA-N 363.462 -0.288 30 20 FBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C1CC1 1109175644 UVJOQOJZJOQXOK-OJLVUWQFSA-N 360.458 -0.238 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc2c(cn1)OCCO2 1109412762 MOLGQWGNUIMDIX-IPYPFGDCSA-N 370.409 -0.063 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CCCS1(=O)=O 1109828001 HKVIVUPFZZCOLV-FHIRATQRSA-N 369.487 -0.023 30 20 FBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)C13CCN(CC1)C3)C2 1112564290 NAADUFOJDNOKGI-KXBFYZLASA-N 359.474 -0.060 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115446195 LZKJWCRWCPDBPT-QWHCGFSZSA-N 360.418 -0.571 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2[C@@H]3CCCC[C@@H]23)C[C@@H]1n1ccnn1 1129724701 ZPFJJZGMRXUYEE-FPCVCCKLSA-N 370.457 -0.195 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cn(C)nc2C)C1 1129830167 WPCPIYCMAZASHM-OIISXLGYSA-N 371.445 -0.100 30 20 FBED C=CC(C)(C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nnn(C)n2)C1 1129874924 SMDVUAJTPLOXNG-OLZOCXBDSA-N 359.438 -0.054 30 20 FBED CC#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@@H]1n1ccnn1 1129876259 HFRBNHLLSUGLIZ-CVEARBPZSA-N 358.446 -0.051 30 20 FBED C=CCCCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]1n1ccnn1 1130020550 LRPDFDOLEDPNKT-MJBXVCDLSA-N 370.479 -0.477 30 20 FBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1c1cn(C)cn1 1130490415 GNGVWSYTYSGWGT-DZGCQCFKSA-N 370.413 -0.336 30 20 FBED C#CCCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1131572044 AJBOUMLQTHOPFR-BMFZPTHFSA-N 371.503 -0.067 30 20 FBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NC[C@H]3CCCO3)C[C@H]21 1187874187 OMUYVQPNKXQPIG-GVDBMIGSSA-N 363.458 -0.146 30 20 FBED CC(C)(C)n1cnc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)n1 1189117125 FOGUTTVPKTWPAS-QWHCGFSZSA-N 359.434 -0.181 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CCc3cn(C)nn3)[C@@H]2C1 1190527494 PBEBKJKKCJBNSB-IJEWVQPXSA-N 358.446 -0.582 30 20 FBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)Nc2ccnn2C(C)C)C[C@H]1O 1191756309 RZBLXOUDJQZWFB-ZIAGYGMSSA-N 365.434 -0.234 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(OC(C)C)n2)C1 1197311413 ZBDGTKBBHBJFTA-HUUCEWRRSA-N 360.414 -0.607 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3ccccc23)C1 1199004386 PFSKNJGTNUDTSL-JCURWCKSSA-N 369.425 -0.595 30 20 FBED CC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C 1207739795 GGXCCZUTSMRSAI-CXAGYDPISA-N 371.441 -0.253 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](C)C1 1208281378 FZTFIOYYMKVUFO-YRGRVCCFSA-N 355.402 -0.688 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC 1212258717 YNNYBRQURJOSBG-OWCLPIDISA-N 351.447 -0.149 30 20 FBED CC(=O)NCCCCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216699626 BTNWNPGDALTCND-UKRRQHHQSA-N 351.451 -0.241 30 20 FBED CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216993587 LQLARCAFZAVICE-FRRDWIJNSA-N 352.439 -0.710 30 20 FBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2cccn2cn1 1218155251 ZZNSKZCBSCKXSL-DLBZAZTESA-N 367.409 -0.391 30 20 FBED C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 1219546426 DSEVIKBGKXMOBN-NFAWXSAZSA-N 364.450 -0.597 30 20 FBED C#Cc1cccc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)CC(C)(C)O)C2)c1 1219548794 DGKRHXBFHYCKSO-CVEARBPZSA-N 359.426 -0.071 30 20 FBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1O 1219587420 DZALWQHDNIMIMH-CVEARBPZSA-N 361.446 -0.801 30 20 FBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1219939376 CISKKFFYQLKIGP-CABCVRRESA-N 350.419 -0.213 30 20 FBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 1220075998 NVRBPJWKLNNULD-OLZOCXBDSA-N 350.485 -0.828 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 1220085576 FOEQANRLFZAMDO-SJORKVTESA-N 367.409 -0.603 30 20 FBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 1220336023 CDVSOLXVYOADLY-CVEARBPZSA-N 355.398 -0.308 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1 1220673179 PKBCVTPGBXIDTN-MNOVXSKESA-N 365.411 -0.956 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3c(C)cccc3O2)C1 1220771292 MKWSZULBPSCVFA-VYDXJSESSA-N 357.410 -0.791 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1220793016 MONYGATWJWZDCC-KFWWJZLASA-N 368.478 -0.467 30 20 FBED Cc1ccc(C)c(OCC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c1 1220966473 QINGRDJRACSQAY-CABCVRRESA-N 360.414 -0.517 30 20 FBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O 1221143408 CWMUVHZGNGJXAF-AXFHLTTASA-N 355.420 -0.771 30 20 FBED NC(=O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#Cc3ccccc3)C[C@H]21 1221456104 HQWUTMZAJPWDLE-IAGOWNOFSA-N 368.437 -0.438 30 20 FBED COCCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1223606890 PDVGYBJTKGDIJH-ZNMIVQPWSA-N 352.435 -0.400 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 1321787311 QGHPJJDXOLCTBD-CQSZACIVSA-N 363.505 -0.743 30 20 FBED CCOC1CC(CNC(=O)C(=O)NCCCC#N)(N2CCOCC2)C1 1325781369 QAEPDYOYTQBFGC-UHFFFAOYSA-N 352.435 -0.208 30 20 FBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2CCC(C#N)CC2)C1 1326153528 ULVDXTQRIJBVGQ-HOAMVYINSA-N 351.403 -0.185 30 20 FBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)c(F)c1 1328501901 SXXCTVDIPNWPFU-STQMWFEESA-N 369.374 -0.758 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1329814006 OGGMPMBWUSTOAP-HEHGZKQESA-N 374.459 -0.502 30 20 FBED COC[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1)OC 1331408639 VNWDIJQFKSLPDB-MRXNPFEDSA-N 360.414 -0.016 30 20 FBED C=CCn1c(-c2ccn(C)c(=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1339041326 NTNYYGNSIGEQJG-ZDUSSCGKSA-N 358.402 -0.219 30 20 FBED CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 1342071230 RBLNILKXGMAMJU-LLVKDONJSA-N 355.424 -0.879 30 20 FBED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ncnn1C 1343433958 GZBVKBBCQQRREA-LBPRGKRZSA-N 368.401 -0.392 30 20 FBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1346867807 ZKHFWPOTWHGJIF-UWVGGRQHSA-N 351.325 -0.027 30 20 FBED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1512579006 KHNFLKMXOGMHPC-JDFRZJQESA-N 373.417 -0.053 30 20 FBED CN(C)C(=O)Cn1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)nn1 1525913335 IKEVJMARBYUWOJ-UHFFFAOYSA-N 355.358 -0.042 30 20 FBED C#CCO[C@H](C)C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[nH]n3)n2)C1 1573285686 LHCBZXJKEFLEDF-CHWSQXEVSA-N 370.417 -0.020 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286639 GTVAXXGEHMKVOU-SDDRHHMPSA-N 371.401 -0.142 30 20 FBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573304959 JXFAGYZVDBQGPL-UHFFFAOYSA-N 359.390 -0.290 30 20 FBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1573582006 BNDLSMLCODEUQV-ONGXEEELSA-N 358.362 -0.688 30 20 FBED C=CCn1c([C@@H]2COCCN2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1574955577 YDBMKNQKBGABCN-KBPBESRZSA-N 350.423 -0.534 30 20 FBED CC#CCN1CCN([C@@H]2CCN(C(=O)CCOCc3cnn[nH]3)C2)CC1 1575122407 GVAPFHHDOPMAOS-QGZVFWFLSA-N 360.462 -0.047 30 20 FBED C[C@@H](OCc1cnn[nH]1)C(=O)NCCN1CCN(C(=O)C#CC2CC2)CC1 1575874490 ATKAMTXYMVTKDG-CQSZACIVSA-N 374.445 -0.616 30 20 FBED CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H](C)C#N 1579850832 AIRSNTCPAWSOET-XXILOJSOSA-N 358.362 -0.690 30 20 FBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 1588362826 WSIWSENWRNCMCE-AGIUHOORSA-N 368.401 -0.078 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588436750 SRTVUXOGNDSBCB-AAEUAGOBSA-N 358.406 -0.070 30 20 FBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O 1588610432 FCOTWTVHLRDYPC-YUTCNCBUSA-N 373.417 -0.091 30 20 FBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC[C@@H](OC)C1 1588708042 BWNVCBIDIXRCDU-LLVKDONJSA-N 371.409 -0.101 30 20 FBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1602983621 KUKBUMHIEOQYPB-ZBEGNZNMSA-N 356.390 -0.131 30 20 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O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1783556643 BNAQAZOFGYJXSA-GOSISDBHSA-N 373.365 -0.622 30 20 FBED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381702 MZVAFUZMSGJATN-KKUMJFAQSA-N 368.455 -0.576 30 20 FBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784560900 HZQKCZWFSUWHOA-GOSISDBHSA-N 372.381 -0.673 30 20 FBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2 1800776144 UMHXQOJQDXSWBO-CULMDFNYSA-N 363.395 -0.637 30 20 FBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCOC1 1801581996 BTIQCMHAOXESDV-ZUMXRPEOSA-N 364.398 -0.519 30 20 FBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1812877880 QXOALXRDLDFHQX-BSXFFOKHSA-N 371.393 -0.054 30 20 FBED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342825 RZAIHUHZDDYZCW-KRWDZBQOSA-N 351.403 -0.217 30 20 FBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1839174503 GSKDPJGNVQMKGO-QGZVFWFLSA-N 354.403 -0.028 30 20 FBED 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C=CCCOCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)CO2)C1 1068910545 KMZIXTMJYPNLFX-DZKIICNBSA-N 368.430 -0.131 30 20 FBED C=CCCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1068911290 SYLGDTZXFDRALZ-XQQFMLRXSA-N 351.403 -0.813 30 20 FBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1069927390 YYKZGRJNWQAVQA-CFVMTHIKSA-N 370.417 -0.418 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1069974668 KHSVDRAIGLYJLN-OLZOCXBDSA-N 351.374 -0.377 30 20 FBED Cc1cn(C)nc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070912208 XIEWQKGHWDVEOV-MJBXVCDLSA-N 358.402 -0.028 30 20 FBED Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]2O)c1N 1076914049 BOFPPADWGGTBRC-HZPDHXFCSA-N 370.413 -0.120 30 20 FBED N#Cc1c[nH]c(C(=O)NC2(CO)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 1080801141 OMAPFPMXKPBWDP-NEPJUHHUSA-N 359.386 -0.909 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1081694215 QXJPJMRDEVUVDP-YIYPIFLZSA-N 350.423 -0.493 30 20 FBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCN(C)C(=O)C1 1083124723 MKXZKMSZCUBSMY-JKSUJKDBSA-N 350.463 -0.362 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN([C@H](C)c4nnnn4C)C[C@@H]32)cn1 1083253154 ZHJZOPZUADEELG-UHOFOFEASA-N 367.413 -0.127 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cnn4c3CCC4)C2)C1=O 1083509712 SYTNNULTEJVTFV-BMFZPTHFSA-N 359.430 -0.609 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1O 1083535124 BEBTWTUTLXTMOS-SQNIBIBYSA-N 370.453 -0.116 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]2O)CC1 1083754766 RPZADYIRPCCHOD-CABCVRRESA-N 364.446 -0.164 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1083853168 FYCLDONSVYNQLP-XGUBFFRZSA-N 352.435 -0.846 30 20 FBED COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O 1090547304 MGMOQYBZQDGERP-WDBKCZKBSA-N 364.377 -0.486 30 20 FBED CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@H](C)NC(N)=O 1090886101 KWEJVWSZMKNVOE-JMJZKYOTSA-N 352.420 -0.300 30 20 FBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)C3(C(=O)N(C)C)CC3)C2)c(C#N)cn1 1091146478 ZXSFMIIPEZVBEH-HIFRSBDPSA-N 357.414 -0.204 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CN1C(=O)CCC1=O 1092361442 ADPZXEAONJMNPM-VXGBXAGGSA-N 356.386 -0.314 30 20 FBED C=C(C)CN1CCN(C(=O)C[C@@H]2CCN(C)C2=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1094638919 NDSNPSCFQLBYOU-SOUVJXGZSA-N 369.487 -0.259 30 20 FBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2=O)C1 1094766799 NRHNKBWIKUPERU-JSSFPYSZSA-N 361.442 -0.538 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CCC(=O)NCC)C[C@]2(C)C1 1101169480 IHKVYQCGBWZXTF-KHYOSLBOSA-N 362.474 -0.179 30 20 FBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102434177 SCWMUFDVQQOWJO-BMFZPTHFSA-N 363.462 -0.219 30 20 FBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)nn1 1102442577 ADECTOCXUDZFKB-CHWSQXEVSA-N 370.479 -0.689 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1102594052 ZIRWCHQSWMQRHF-RBSFLKMASA-N 358.446 -0.726 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(=O)n(C)cn2)C1 1103099793 ZTVYRQHYALIYHX-ZIAGYGMSSA-N 359.430 -0.783 30 20 FBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1C 1106336144 DUQHKZCFSYCPBK-QLFBSQMISA-N 361.446 -0.120 30 20 FBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1C 1106511418 HRWDKFZSLWLZRK-GDBMZVCRSA-N 370.453 -0.239 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107951857 UVTBNTDGPVLXOA-IIYDPXPESA-N 368.434 -0.630 30 20 FBED CC(C)C#CC(=O)N1CCN(Cc2cn(C)nn2)[C@H]2CS(=O)(=O)C[C@H]21 1108473971 FDQLMTHAOTXKEG-LSDHHAIUSA-N 365.459 -0.716 30 20 FBED CC(=O)NCCCCCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108489149 ZKNASXPBVDCQNB-LSDHHAIUSA-N 370.475 -0.484 30 20 FBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(C(N)=O)o1 1109505704 AIRSVWQBYVMDKF-RNJOBUHISA-N 358.398 -0.149 30 20 FBED Cn1cncc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1112127486 QDSIPFSRCHZRLP-NXEZZACHSA-N 358.324 -0.348 30 20 FBED 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JSMZPJXFIINLON-PMPSAXMXSA-N 362.434 -0.557 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1070086788 NFHUSJUEXGQVPE-CVEARBPZSA-N 367.413 -0.289 30 20 FBED COCc1noc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)n1 1070159813 SCSKXYNZGWADIU-TUAOUCFPSA-N 360.378 -0.491 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(CCN4C(=O)CNC4=O)C[C@H]32)cn1 1076477193 UERFOVPRAZHDAW-GOEBONIOSA-N 367.409 -0.239 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)[nH]1 1076898752 YTLHSNQFQLHVJJ-ZIAGYGMSSA-N 367.369 -0.803 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O 1077248616 HSHISXINMXPGIJ-BZUAXINKSA-N 362.405 -0.289 30 20 FBED O=C(N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O)c1c[nH]c(=O)cn1 1077586064 FLWGRCBCXXHURA-HZPDHXFCSA-N 356.357 -0.264 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ncnn3CCC)C[C@H]2O)nn1 1077802691 UQXMLLSUZIMHCJ-TZMCWYRMSA-N 360.422 -0.559 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(CCc3cnn(C)c3)C[C@H]2OC)nn1 1082212685 BDSDLWSQDWXDEZ-GDBMZVCRSA-N 359.434 -0.131 30 20 FBED CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O 1082401285 ILJRXEJFWFDLQC-BZUAXINKSA-N 370.409 -0.074 30 20 FBED Cn1nnc(C(=O)N2CCO[C@@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@@H]32)n1 1083165706 JQJUPMFZPQBKBM-LSDHHAIUSA-N 371.376 -0.054 30 20 FBED COCCn1cc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)nn1 1083455193 QXSXEQBTKKPULL-WBVHZDCISA-N 370.413 -0.229 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cc(CC)nn3C)C2)C1=O 1083886700 CYWLXDATPGFAPW-FMKPAKJESA-N 361.446 -0.456 30 20 FBED Cc1nn(CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)c(=O)n1C 1084011983 BTZWZNXRTZOPRI-CVEARBPZSA-N 370.413 -0.877 30 20 FBED CC(=O)N[C@@](C)(C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)C1CC1 1090461434 IKAZCOLHELRRMH-IIDMSEBBSA-N 357.414 -0.076 30 20 FBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCn1ncn(C)c1=O 1090928742 UASQFULOHMUPFF-HUUCEWRRSA-N 371.401 -0.741 30 20 FBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]21 1091045447 JJHOJSAZQUZXRT-LSDHHAIUSA-N 357.414 -0.351 30 20 FBED N#Cc1nccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC(=O)NCC2CC2)n1 1091052800 HMTKDMMEJFBJTD-UONOGXRCSA-N 370.413 -0.319 30 20 FBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)CCOC[C@H]3CCCO3)C2)n1 1091196190 VGRWVIUVFYTLQV-MCIONIFRSA-N 361.402 -0.400 30 20 FBED C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1c1ccncc1C#N 1092059915 KTCVGOQTMHUYAV-YPMHNXCESA-N 351.432 -0.024 30 20 FBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)Cn1c(O)nnc1O 1092390144 FFNTYAHADPWLIY-ZYHUDNBSSA-N 357.374 -0.155 30 20 FBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC[C@H]2NC(=O)NC2=O)cn1 1092837329 MIDZFFPBWBROQT-NDBYEHHHSA-N 369.385 -0.438 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1094795825 ZVZJTMMQWSPXSD-QRTARXTBSA-N 351.447 -0.249 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCCOCC)C[C@@]2(C)C1 1101232270 OQKINTLGWGGTJR-FCEWJHQRSA-N 365.474 -0.042 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@]2(C)C1 1101291711 AHGWITKXPVDEJU-KUHUBIRLSA-N 371.441 -0.733 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1102285459 RNWCVOUDOUOHCQ-MGPQQGTHSA-N 358.446 -0.342 30 20 FBED C#Cc1cncc(C(=O)NC[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2C)c1 1102344902 OKERINQVFZBCCN-LALPHHSUSA-N 357.414 -0.056 30 20 FBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1CNCC(=O)NCC#N 1106343985 PXWQGHSLEWQMLM-RBSFLKMASA-N 358.446 -0.231 30 20 FBED C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCCS1(=O)=O 1109828038 IXGXHMMBLOINJO-LMOYCYGVSA-N 368.459 -0.685 30 20 FBED C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1111109025 CKQDYGPTJUORHN-YJNKXOJESA-N 361.446 -0.394 30 20 FBED Cc1nc(N2CCC(CO)(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1C#N 1112677265 UQECYWFLZWDDKD-KGLIPLIRSA-N 357.414 -0.169 30 20 FBED C#CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCC2=O)cc1 1116009273 WRNFVOOZWDLCLR-AWEZNQCLSA-N 359.382 -0.263 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2)C1 1117634259 PGEHZSYNRJNTSB-AWEZNQCLSA-N 357.476 -0.352 30 20 FBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1128903837 XGUWRGNCRJASCT-CVEARBPZSA-N 353.386 -0.217 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1n1ccnn1 1128988937 IUHNARCFKMSIDO-UAGQMJEPSA-N 369.429 -0.043 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1128998719 CNPMRRQDBGTHQW-CABCVRRESA-N 359.434 -0.552 30 20 FBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]1n1ccnn1 1130143423 SRDJPGHAYHYMHJ-MCIONIFRSA-N 353.448 -0.676 30 20 FBED C[C@H](O)CNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 1130190904 SNQFGHOVUHBGBZ-SRVKXCTJSA-N 368.463 -0.479 30 20 FBED C=CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H](C)NC(N)=O)n2)O1 1130785727 YDWOZFPXHXHDRW-GRYCIOLGSA-N 365.438 -0.137 30 20 FBED C=CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCS(C)(=O)=O)n2)O1 1130790098 HNDJLTFMXYVESG-NWDGAFQWSA-N 371.463 -0.149 30 20 FBED C[C@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1c1cncn1C)C(N)=O 1130915948 UAGQXRRRDJRNAK-QJPTWQEYSA-N 350.448 -0.565 30 20 FBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)[C@@H]2C1 1188181314 ISJUZJURVHAYQN-BLLLJJGKSA-N 357.414 -0.127 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOCC2)C1 1192563735 NRPVBPPBIRJDDD-BZUAXINKSA-N 366.462 -0.273 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 1192805093 RYNGZDHFXFIGHH-CHWSQXEVSA-N 366.443 -0.157 30 20 FBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1O 1193344658 BOAQQQQHAJWEND-VXGBXAGGSA-N 365.434 -0.378 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cccnc23)C1 1195198585 VSSZEXGVVWOXDP-MRVWCRGKSA-N 358.402 -0.805 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 1195467891 XNTBTHPILMLGLD-ZIAGYGMSSA-N 350.419 -0.647 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COCCCCCC)C1 1198133859 JWLNCAIXMIYDMS-BZUAXINKSA-N 353.463 -0.118 30 20 FBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 1198520042 BOOHKAGVDZFCID-HZPDHXFCSA-N 358.402 -0.360 30 20 FBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2O)CC1 1199030674 WQFLAVLXAVLTRX-IAGOWNOFSA-N 362.474 -0.981 30 20 FBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@H]1O 1199330825 HYXFAUCXCAVMJU-MGPQQGTHSA-N 365.434 -0.581 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1nn(C)c2c1CCCC2 1208754816 QAYBAMRMZYCZJJ-TZMCWYRMSA-N 358.446 -0.011 30 20 FBED Cc1cccc(C(=O)NCC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1 1210768991 RQUAGYDIXAONPL-GDBMZVCRSA-N 371.441 -0.199 30 20 FBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C 1211359146 UEBTUVQMXUPANF-MGPQQGTHSA-N 365.478 -0.083 30 20 FBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1OC 1211994605 FCFGIICDMGQVMD-RBSFLKMASA-N 354.451 -0.192 30 20 FBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCc2cccnc21 1213336277 UTLWGVHOIOIUDW-RBSFLKMASA-N 357.414 -0.433 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](OC)C1 1213665235 IYUSBBGUVXBRDF-XNRPHZJLSA-N 360.414 -0.750 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2csc(CC)n2)[C@H](OC)C1 1213914444 GBHQDVMHKZDHOU-ZIAGYGMSSA-N 364.471 -0.187 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(=O)NC(=O)NCCC)[C@H](C)C1 1214521021 UHNLUTYDVFZJTM-XNJGSVPQSA-N 354.451 -0.014 30 20 FBED COC[C@@H](C)NC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214589133 GMBHKWWYBPYPBV-UMVBOHGHSA-N 364.446 -0.303 30 20 FBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C 1214768127 DBPDKNZMZPQHCU-IIAWOOMASA-N 362.474 -0.133 30 20 FBED COCC#CCN[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C 1216238620 YGYCYNVMWBBBFG-HUUCEWRRSA-N 361.446 -0.533 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)o1 1217737221 SMCJERKKLFIULZ-MBNYWOFBSA-N 364.402 -0.806 30 20 FBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CCCN3CCCC3=O)C[C@@H]21 1217875032 DRUBYKDMURJRFU-IXDOHACOSA-N 363.458 -0.051 30 20 FBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOCC1CC1 1217894493 FEHVADGVYATOQP-LSDHHAIUSA-N 350.419 -0.646 30 20 FBED 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C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1n1ccnn1 1129481800 NBTXSZWRWZBEFH-MJBXVCDLSA-N 371.463 -0.745 30 20 FBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 1129822024 AZDWOHBDXRYBKR-XHSDSOJGSA-N 356.430 -0.583 30 20 FBED CC(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(=O)NCC#N)CC1 1130271788 SIKZMETWVJWLOP-PBHICJAKSA-N 363.462 -0.242 30 20 FBED C#CCCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cncn2C)C1 1130978162 UVUZPLHZPGUWJI-HUUCEWRRSA-N 356.430 -0.253 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1c1cncn1C 1131007788 LHVZDKRJECBBLZ-ZIAGYGMSSA-N 364.450 -0.564 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ncc(OC)cn3)[C@@H]2C1 1188509627 CUCGHMRVSKRQKO-KCQAQPDRSA-N 357.414 -0.231 30 20 FBED COCCn1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)n1 1188510400 RLHLNFOUJAHVRT-DZGCQCFKSA-N 360.418 -0.684 30 20 FBED CCN(CCC#N)S(=O)(=O)NCC1(N2CCOCC2)CCOCC1 1191131378 JBNAAFOOFKFUHM-UHFFFAOYSA-N 360.480 -0.062 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 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370.331 -0.375 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 1220423917 GGFBNDOOYQUWOR-OLZOCXBDSA-N 370.331 -0.375 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(C)nc2OC)C1 1220495959 ALLQIQAYJHWTPQ-YUELXQCFSA-N 362.430 -0.136 30 20 FBED Cc1ccccc1COCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220514797 FVPPGPKPMYSRCW-CVEARBPZSA-N 360.414 -0.687 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C2)C1=O 1220959402 DEMXRAZBHSCFTJ-MCIONIFRSA-N 366.462 -0.903 30 20 FBED CCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O 1221085510 MVABHHYVHUWQAL-CABCVRRESA-N 369.418 -0.207 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnc(C)nc3OC)[C@@H]2C1 1221600645 WCRSWDDRJQQUSP-UKRRQHHQSA-N 357.414 -0.311 30 20 FBED Cc1onc(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C#N 1254338804 OHVHWYULUOOLNB-KBPBESRZSA-N 368.415 -0.989 30 20 FBED C#CCNC(=O)C1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1256686500 XOYZKTWJVJVQPH-CVEARBPZSA-N 370.409 -0.055 30 20 FBED Cn1c(NCCN2C(=O)COc3ccccc32)c(C#N)c(=O)n(C)c1=O 1318213292 ABOZAGDLVYBVRT-UHFFFAOYSA-N 355.354 -0.207 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 1321465486 JKRDKQSJUDQJKT-UHFFFAOYSA-N 357.414 -0.165 30 20 FBED CCOC(=O)N1CC[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 1324466751 DUNXJDNDGDVZKF-ZDUSSCGKSA-N 374.401 -0.172 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 1340073896 QBPANDBPJGDUOB-UHFFFAOYSA-N 358.402 -0.531 30 20 FBED C[C@H](C(=O)OCCn1ncc(C#N)c1N)S(=O)(=O)C1CCOCC1 1341821740 VVUFONKUIMAPKZ-SNVBAGLBSA-N 356.404 -0.138 30 20 FBED C#CCOCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1342445332 MBEFXJSCISINPY-UHFFFAOYSA-N 371.397 -0.162 30 20 FBED CN(C)[C@@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCSC1 1469158746 ZYHPLRLXMKZNBH-OAHLLOKOSA-N 366.447 -0.443 30 20 FBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573582985 IBCHASKCKDNBNA-LLVKDONJSA-N 371.405 -0.772 30 20 FBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCc2cnn[nH]2)C1 1575108690 PHGAPUBTKRRRGR-GFCCVEGCSA-N 351.407 -0.592 30 20 FBED C[C@H](C#N)C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1575177401 LCEXBVUYLQZNAU-LLVKDONJSA-N 369.385 -0.280 30 20 FBED N#Cc1cnc(N2CCC(N(Cc3cnn[nH]3)C(=O)CC(N)=O)CC2)cn1 1577719227 MSWBRMUINPTWLK-UHFFFAOYSA-N 369.389 -0.661 30 20 FBED COCC#CCN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1579618724 MRFLRAIOEKDLFA-ZIAGYGMSSA-N 359.390 -0.726 30 20 FBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353067 FLYVRZFCDFRHRQ-WDEREUQCSA-N 358.406 -0.617 30 20 FBED C=CCn1cc(C(=O)NC/C=C/CNc2cncc(-c3nn[nH]n3)n2)nn1 1588713743 ROJMUIXZUSOONZ-ONEGZZNKSA-N 367.377 -0.168 30 20 FBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 1591242274 KMZJSBZEPAATQF-SECBINFHSA-N 359.350 -0.675 30 20 FBED COCC#CCN1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1591360835 HVRSBPCUBOMTCP-MRXNPFEDSA-N 359.390 -0.989 30 20 FBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC(=O)NC1=O 1592667099 URHRIVSJGQHCNR-NEPJUHHUSA-N 353.342 -0.530 30 20 FBED 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C[C@H](C#N)C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1573566724 GBXSAUNZXMXCDH-GHMZBOCLSA-N 357.378 -0.154 30 20 FBED C#CCCCn1c([C@H]2COCCN2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1574582991 RUWPBNIACPIHBK-UONOGXRCSA-N 360.418 -0.007 30 20 FBED CC#CCN1CCN(CCNC(=O)C2CCN(Cc3cnn[nH]3)CC2)CC1 1575122715 JYKCCVMWQBGDEM-UHFFFAOYSA-N 373.505 -0.226 30 20 FBED CN(C[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1)C(=O)c1ccc(C#N)[nH]1 1579048877 LIEFNGLSIGIPIZ-LLVKDONJSA-N 367.373 -0.572 30 20 FBED N#Cc1ccc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 1581870023 QEHYEQOTYXHCIH-AWEZNQCLSA-N 366.385 -0.053 30 20 FBED C#CCN(C)CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1588349678 VPKKKYRDRIFUDA-UHFFFAOYSA-N 374.453 -0.299 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 1588355472 IMHKCXFLITYUOY-JTNHKYCSSA-N 371.401 -0.190 30 20 FBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nc1 1588360612 SFNOPZHMYVUEHQ-CQSZACIVSA-N 373.417 -0.443 30 20 FBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNc1cncc(-c2nn[nH]n2)n1 1588406883 YOBMKTGSFIAYTR-LLVKDONJSA-N 359.394 -0.344 30 20 FBED CCN(CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CC(=O)NCC#N 1590698576 KYOJEFPGKMQLDL-UHFFFAOYSA-N 359.394 -0.724 30 20 FBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602793331 MCQIRWREPDURIJ-BDJLRTHQSA-N 358.406 -0.074 30 20 FBED C=CCOCC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602866950 QIDMXOMHOOURFW-GFCCVEGCSA-N 361.406 -0.574 30 20 FBED C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)CC1 1602901839 YFKSOILSMXBDRZ-UONOGXRCSA-N 353.419 -0.297 30 20 FBED C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)NCC#N 1603456676 NUWYGUYCGRWIMZ-UWVGGRQHSA-N 359.394 -0.679 30 20 FBED COC(=O)C1(NS(=O)(=O)CC(C)(C)C#N)CCS(=O)(=O)CC1 1622067954 GHISKSIOKIUHQT-UHFFFAOYSA-N 352.434 -0.424 30 20 FBED N#Cc1cn(CCC(=O)N2CCS[C@@H]3COCC[C@@H]32)c(=O)nc1O 1631722229 BROXPRXTQXFNNI-NWDGAFQWSA-N 350.400 -0.056 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NCc1cc(=O)n(C)c(=O)n1C 1690865100 DMENMHKBTFSHEN-CFVMTHIKSA-N 364.446 -0.341 30 20 FBED C[C@@]1(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCN(CC(=O)NCC#N)C1 1754676484 LZMPBYWMQWPEEH-IIYDPXPESA-N 365.434 -0.980 30 20 FBED C=CCOCC(=O)N1CC[C@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]21 1756953064 VTSPFKBXNCIJQR-QWHCGFSZSA-N 359.448 -0.860 30 20 FBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)CCCS(C)(=O)=O)[C@@H]2C1 1757237209 PYTFWHIFWUWXJJ-RBSFLKMASA-N 370.471 -0.091 30 20 FBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1759407805 LQHLVUQBCOFPLC-KWCYVHTRSA-N 350.419 -0.076 30 20 FBED Cn1cc(S(=O)(=O)NN=Cc2csc(C(=O)O)c2)c(=O)n(C)c1=O 1776052071 FKQMBWNRWYDOIF-UHFFFAOYSA-N 372.384 -0.844 30 20 FBED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1779041883 NBWXZGNCWGCKEC-IAQYHMDHSA-N 374.532 -0.381 30 20 FBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781315172 ORSHUHMGEDLRSK-RHSMWYFYSA-N 356.419 -0.584 30 20 FBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1781693422 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1809416557 QRUWRPUNXIJQIW-UHFFFAOYSA-N 366.414 -0.031 30 20 FBED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1843008514 QNJWXKJZFVRSMN-UHFFFAOYSA-N 367.369 -0.462 30 20 FBED Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(OCC#N)cc2)c1 268090319 ITWXBAMBLPMRDP-UHFFFAOYSA-N 363.399 -0.083 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(C(=O)OC)CCCC2)C1=O 269297375 HVQXPNWYYVIMAZ-UHFFFAOYSA-N 351.359 -0.093 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(C(N)=O)C1 279945303 GJABKJJGKIMYQG-BZNIZROVSA-N 364.427 -0.051 30 20 FBED CCNS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 290033679 UHOLNPVHLMMAAP-ZDUSSCGKSA-N 372.472 -0.259 30 20 FBED COCCN1CCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O 329040098 DFZATBIGVHDVPL-LBPRGKRZSA-N 362.452 -0.885 30 20 FBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349461070 JFTGMVBUJHUNPK-AAEUAGOBSA-N 365.477 -0.521 30 20 FBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 407952156 FQHHNOHVIWQYDE-RYUDHWBXSA-N 352.482 -0.274 30 20 FBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)CCO1 410119608 RKRIHGTUWCUWHU-QWHCGFSZSA-N 374.488 -0.505 30 20 FBED N#Cc1ccc(C(=O)NCC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 474189937 BSKREYXDXXCEPM-UHFFFAOYSA-N 370.369 -0.768 30 20 FBED COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 500272568 ZOSNNGSUNFXTPK-MFKMUULPSA-N 368.415 -0.816 30 20 FBED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC=C 505662171 ORGDPKCDJXIFHZ-UHFFFAOYSA-N 369.450 -0.057 30 20 FBED N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 528378674 KNEZZFXIZODOJL-UKRRQHHQSA-N 368.459 -0.197 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCO)CC1 532198618 FRZSCMDDXYQSKO-ZDUSSCGKSA-N 366.443 -0.638 30 20 FBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCSC[C@@H]3C#N)cnc21 537018949 ZQWZWNIVYAIUDC-QMMMGPOBSA-N 367.412 -0.336 30 20 FBED C=CCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 540728702 YTFJPHOSTHSGAW-UHFFFAOYSA-N 361.807 -0.215 30 20 FBED N#Cc1ccc(C(=O)NCC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)cc1 559258558 TZGJIIMZWVENOO-LPBFZAKBSA-N 367.405 -0.125 30 20 FBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 569270600 JXEXPKALUHEVAJ-NSHDSACASA-N 359.434 -0.393 30 20 FBED COC(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1 570681526 ARMXIORKYNOOCH-GFCCVEGCSA-N 359.386 -0.012 30 20 FBED C[C@H]1CN(CCCNC(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 588126154 BXAOTEWUTJKCAH-GJZGRUSLSA-N 365.478 -0.294 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC2)c1C#N 594010131 BQVNJOJRWJDCPQ-UHFFFAOYSA-N 358.406 -0.847 30 20 FBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 595041531 AZQFTAQIAYQFCA-LLVKDONJSA-N 350.375 -0.380 30 20 FBED CC(C)(C)n1nnc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 599090592 FNQAUSRDZYVXNS-UHFFFAOYSA-N 373.377 -0.671 30 20 FBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCNC3)C2=O)cc1 599944495 WCBMLYOSTHIFSA-CABCVRRESA-N 355.398 -0.747 30 20 FBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1COCCN1 599961907 IWKKZURIIIQGTN-QGZVFWFLSA-N 373.457 -0.447 30 20 FBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 601451207 URGGOZGUVYCGAR-ZFWWWQNUSA-N 371.507 -0.003 30 20 FBED C=CCn1c(COCCOC)nnc1N1CCN(CC(=O)N(C)C)CC1 634340233 GSGBTGVBZMXUHU-UHFFFAOYSA-N 366.466 -0.163 30 20 FBED O=C(NCC#CCNC(=O)c1cnn2cccnc12)c1cnn2cccnc12 680339069 AXCKHTYCHQOWPL-UHFFFAOYSA-N 374.364 -0.065 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 728534484 MZKQNHNNZCFGSK-UHFFFAOYSA-N 368.393 -0.824 30 20 FBED CN(CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)c1ncnc2[nH]cnc12 736786700 CADLOYBQKYBIPK-UHFFFAOYSA-N 365.321 -0.797 30 20 FBED CC(C)(C)OC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C#N)C1 754378586 OPWPQKCNQIFVEB-GHMZBOCLSA-N 365.390 -0.054 30 20 FBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 758050908 VLKCIWSKIXCGJQ-UHFFFAOYSA-N 364.386 -0.211 30 20 FBED C#CCNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1=O 771155153 REIBVAJXTIQKRI-MRXNPFEDSA-N 350.375 -0.333 30 20 FBED Cn1ccnc1[C@@H](O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 771929311 VCWONSDDYRMYEL-ZDUSSCGKSA-N 358.402 -0.361 30 20 FBED CN(C)S(=O)(=O)CCC(=O)OCC(=O)NCc1cccc(C#N)c1 772276025 LMXZGAOOPOXKNH-UHFFFAOYSA-N 353.400 -0.001 30 20 FBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(-n2cnnn2)c1 781773728 UWEQBYXPAHWFBP-UHFFFAOYSA-N 360.330 -0.161 30 20 FBED C#CCOc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 802593880 VUBJCHWRFNONDH-UHFFFAOYSA-N 365.411 -0.167 30 20 FBED C=C[C@@H](O)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 814546739 JOQDIWKLGGTPMK-GFCCVEGCSA-N 373.365 -0.550 30 20 FBED C#Cc1cccc(NC(=O)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 819709434 FOPBQQGMOXPARZ-UHFFFAOYSA-N 351.330 -0.806 30 20 FBED C#CCNC(=O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850777 SVZZYHUVZUDJND-OAHLLOKOSA-N 368.397 -0.112 30 20 FBED CC[C@H](CNS(C)(=O)=O)NC(=O)NCCNc1ccc(C#N)cn1 837564457 ASGSKCQPDKUEFF-GFCCVEGCSA-N 354.436 -0.008 30 20 FBED C#CCN1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 885512857 ZELUNRPXRQMVML-CYBMUJFWSA-N 351.494 -0.715 30 20 FBED COC[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 886879319 MFNVHQMYKNJIGM-LBPRGKRZSA-N 367.427 -0.011 30 20 FBED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCC#CCO)CC1 923781325 TVMFDCXSDINQSD-UHFFFAOYSA-N 371.381 -0.020 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(O)nnc2O)C1 938388324 PFBUAESTOOZTIE-TUAOUCFPSA-N 365.390 -0.612 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cc3cncn3C)[C@H](OC)C2)c1 943600735 GUBSLPHMRZVSBV-IAGOWNOFSA-N 367.409 -0.005 30 20 FBED COc1cnc(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2OC)nc1 943869049 ACRZCSCCNFJXGJ-ZIAGYGMSSA-N 370.369 -0.046 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2OC)cn1 944091156 RDJOIGWDWPOLEW-IAGOWNOFSA-N 370.409 -0.503 30 20 FBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CN1CCOCC1=O 948209002 HQACTVMYSXIGPN-BXUZGUMPSA-N 359.386 -0.678 30 20 FBED C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 951554403 MKMAAPRQZFNKPT-GBIKHYSHSA-N 357.370 -0.484 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)CC2 952604639 UVQPPXWVRKPPEJ-XQLPTFJDSA-N 360.418 -0.144 30 20 FBED C=CCn1cc(C(=O)N(C)C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 953956746 TZQFEMRHUZZNDB-OLZOCXBDSA-N 360.418 -0.352 30 20 FBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](CC)OC)C[C@@H]32)nn1 960404988 OWZFUFCAGAPTCQ-SOUVJXGZSA-N 363.418 -0.059 30 20 FBED CNC(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)cn1 960884150 QGUYTUIJAOAIFB-BYCMXARLSA-N 371.397 -0.347 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc4n(n3)CCO4)C2)nc1 967251741 SIAWNIUELPHPBN-CABCVRRESA-N 367.365 -0.733 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]2O)CC1 970336782 UCILJFXBAXLBAO-CABCVRRESA-N 370.471 -0.145 30 20 FBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3occc3C)C2)nn1 970409359 RHXRAMOXPDXPPW-OCCSQVGLSA-N 359.386 -0.090 30 20 FBED C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cnnn4)C[C@H]32)c1 975073442 NUMXTNOUTGXLEF-UKRRQHHQSA-N 351.370 -0.578 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](c2cnn(C)c2)C1 982416872 OPYWXBOLBWVTGI-VBNZEHGJSA-N 369.429 -0.033 30 20 FBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@H]1CC(=O)NC1=O 987547123 WRROURRSPBULJL-JLLWLGSASA-N 357.370 -0.342 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3CCOC3)C2)c1 990827088 CQMRWQFPLYMIBM-CFVMTHIKSA-N 369.385 -0.304 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCNC(=O)C2)C1 991986591 FACGABDMBFNRAF-YOEHRIQHSA-N 364.446 -0.884 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OC2CN(C(=O)C(N)=O)C2)CC1 994820575 VSDACVSGYZYDGB-KGLIPLIRSA-N 351.403 -0.719 30 20 FBED Cc1ncc(C(=O)N2CCN(C(=O)[C@H](C)C#N)[C@H]3CS(=O)(=O)C[C@H]32)[nH]1 995440940 VTUHIAHWAYNMHC-JIMOISOXSA-N 365.415 -0.672 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nnc(O)nc2O)C1 1006483494 FEPQROZZZBBBAE-IEBDPFPHSA-N 363.374 -0.549 30 20 FBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 1023111894 XZSMQFBKNPGTET-ZIAGYGMSSA-N 355.354 -0.568 30 20 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042280711 UFPQYGIFEIMWGU-JSGCOSHPSA-N 363.418 -0.592 30 20 FBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O 1042572793 YETRLVPPYQQKTF-UXIGCNINSA-N 363.443 -0.072 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1043220353 IMYBHHSFGDASOO-YDHLFZDLSA-N 367.446 -0.441 30 20 FBED N#Cc1nccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2CCCCC(=O)N2)n1 1043788456 BTQQVQKVRIMOMK-MELADBBJSA-N 370.413 -0.177 30 20 FBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C(N)=O)nc3)C2)ccc1C#N 1044025030 ZXONZVXMPKSXKF-CABCVRRESA-N 366.381 -0.265 30 20 FBED Cc1nc2cc(C(=O)N[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]3O)cnc2[nH]1 1044237961 HPNXHXIGKYNBLB-KGLIPLIRSA-N 364.369 -0.093 30 20 FBED Cc1cnc2nc(C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3O)nn2c1 1044273697 HKTSMTVBZUOUHZ-MNOVXSKESA-N 365.357 -0.926 30 20 FBED N#Cc1nc(=N[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C(F)(F)F)cc[nH]1 1055602446 DGFCFBBNYUKLPI-GMTAPVOTSA-N 371.319 -0.013 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1 1056134373 MKANHETZFUIRHF-IIYDPXPESA-N 353.419 -0.817 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1057724210 UWAYYJMYFCUDCF-ZQIUZPCESA-N 368.430 -0.142 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1 1057733390 LSHSDAHBRLOMIC-CVEARBPZSA-N 367.446 -0.617 30 20 FBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058226608 RXGJSBLKIGPLPS-DXJHYJNBSA-N 352.431 -0.326 30 20 FBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cncn1C 1058869272 ADYFQOVLTRISOF-LBTNJELSSA-N 364.446 -0.212 30 20 FBED CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCN(c2cncc(C#N)n2)C1 1063139138 ZEUQEUYYIGQXCO-MELADBBJSA-N 358.402 -0.192 30 20 FBED N#Cc1ccc(N2CCN([C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)CC2)nn1 1066702107 CMFWBORZBJOIQF-ZNMIVQPWSA-N 369.429 -0.807 30 20 FBED C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2 1068409030 QYFNWAGSVCLIKG-HZPDHXFCSA-N 363.458 -0.051 30 20 FBED 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C[C@@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349494101 NMXCDUWXZQELQR-LBPRGKRZSA-N 365.477 -0.471 30 20 FBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C[C@@H](C)N1C 349588319 AFQQBPFMOMZKRD-BETUJISGSA-N 366.509 -0.436 30 20 FBED N#Cc1cccc(CCNC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 424454108 SIUKBABVRAWLOZ-ZDUSSCGKSA-N 351.384 -0.006 30 20 FBED N#Cc1ncn(CC(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)n1 426453670 IGBPNXYZAZHAMH-OAHLLOKOSA-N 350.342 0.369 30 20 FBED COCCN(CCO)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 439356820 KGZWPWRPVNJMLV-UHFFFAOYSA-N 372.385 -0.147 30 20 FBED C=CCn1cccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 488889521 BKODTJFTXMDSQE-UHFFFAOYSA-N 350.404 -0.061 30 20 FBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 490274537 TVKZHBZEYBGFQF-GFCCVEGCSA-N 370.435 -0.951 30 20 FBED N#Cc1cccc(F)c1CC(=O)N1CCN(CCS(N)(=O)=O)CC1 499872612 GVBSJTAZDCIQHN-UHFFFAOYSA-N 354.407 -0.327 30 20 FBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1 500103422 RXFLIOLGABTGHQ-UHFFFAOYSA-N 366.399 -0.568 30 20 FBED CN(CCC#N)S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 502361822 QVPIGRXILHCDOW-UHFFFAOYSA-N 364.435 -0.424 30 20 FBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1 509214699 ZZSLBZIAJZFUCV-LLVKDONJSA-N 352.482 -0.274 30 20 FBED CC(=O)NCC(=O)N1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 528729348 OQEQEAPJXVJMPX-KRWDZBQOSA-N 351.451 -0.289 30 20 FBED COCCN(CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 532955146 ARLILUXIWSRSDJ-UHFFFAOYSA-N 351.407 -0.556 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(CC(N)=O)c2)c1 580009855 PRXJDYNTKNFLAQ-UHFFFAOYSA-N 362.371 -0.843 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 592318392 CZZDZHAGGMDGLH-HNNXBMFYSA-N 366.381 0.027 30 20 FBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 646952665 FQFLUZPTUAPZSG-LBPRGKRZSA-N 367.427 -0.268 30 20 FBED C=CCn1cc(C(=O)NCC#CCNC(=O)c2cn(CC=C)nn2)nn1 648858290 RIGUUMGRWKSIRF-UHFFFAOYSA-N 354.374 -0.595 30 20 FBED C#CCN1CCC(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 735937979 QMFWETCMRLFSLM-HNNXBMFYSA-N 370.471 -0.090 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)Nn2cc(Br)cn2)C1=O 752905301 MYPHGEPZOLGVGR-UHFFFAOYSA-N 356.136 -0.308 30 20 FBED C=CCNC(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115217 SFZNNDCYBWZSLR-HNNXBMFYSA-N 353.375 -0.553 30 20 FBED C#CCN1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 789373821 GSJWOINPHRKDNW-INIZCTEOSA-N 368.503 -0.736 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)OCC2CC2)c1 810314500 YVYZIONXHYPTBN-UHFFFAOYSA-N 351.384 -0.094 30 20 FBED C[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819857599 STVSRDCLIYZAOU-IUCAKERBSA-N 350.360 -0.011 30 20 FBED C=CCn1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1 830135485 GJOSXIPFPCBOGT-UHFFFAOYSA-N 359.346 -0.932 30 20 FBED C#CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 837944256 IWXYUGLNOZAOJH-RISCZKNCSA-N 363.395 -0.094 30 20 FBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1c2c(nn1C)CCC2 848961796 OORTUZNBWYDYDZ-UHFFFAOYSA-N 374.488 -0.065 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2OC)cn1 944090651 CDCBORPOMUJTQX-HZPDHXFCSA-N 370.409 -0.359 30 20 FBED C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 951554414 MKMAAPRQZFNKPT-GIPNMCIBSA-N 357.370 -0.484 30 20 FBED O=C(c1ccnc2[nH]nnc12)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365555 NNRDHCDFTADENH-UONOGXRCSA-N 366.381 -0.182 30 20 FBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCCO2 960686775 VASWEJGIHCDYQS-KWCYVHTRSA-N 359.386 -0.123 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCCC(=O)N3)C[C@@H]2O)c[nH]1 962388736 DXCSSANVOGJSOC-MCIONIFRSA-N 359.386 -0.753 30 20 FBED CC(C)Cn1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1=O 963062678 IOYFKPIEBFNXEL-CFVMTHIKSA-N 360.414 -0.035 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C(=O)N4)[C@@H]3C2)cn1 974728022 JRVKBYIZOQNLTJ-FVQBIDKESA-N 367.409 -0.241 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 975541795 SHSUOCDKGHBRLW-MJBXVCDLSA-N 358.460 -0.023 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 976718964 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356.390 -0.017 30 20 FBED N#Cc1ccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)C3=COCCO3)C2)nn1 1051395874 BWMKOTQZMQNOLT-OLZOCXBDSA-N 368.357 -0.626 30 20 FBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2c(O)nnc2O)n1 1055074600 GIQFIJOUYJPZTK-UTLUCORTSA-N 356.346 -0.723 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065207807 XKABYDYYIQNAMT-ZNMIVQPWSA-N 353.419 -0.553 30 20 FBED CCc1nc(C#N)cc(N2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)n1 1066068321 AMZKNNXXTLXKMA-WVWOOGAGSA-N 354.414 -0.073 30 20 FBED N#Cc1ccc(NC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CCO2)nn1 1066679380 XALPTLSORZGMOQ-DYEKYZERSA-N 358.402 -0.111 30 20 FBED Cc1c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)nn2c1OCCC2 1069943309 MGKMTYKLFPUCNK-OLZOCXBDSA-N 356.390 -0.256 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1 1074602888 UFWHOUVHYKMMRB-BBRMVZONSA-N 367.446 -0.427 30 20 FBED Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2O)c1N 1076915524 USVPIGLRTNONIZ-HUUCEWRRSA-N 358.377 -0.012 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O 1077832641 XKTBVCOEEGNPEY-BZUAXINKSA-N 359.430 -0.345 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@H](C)CC(N)=O)CC1 1080932086 ARHHRWKWBNXTRN-MCIONIFRSA-N 367.446 -0.441 30 20 FBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)Cn3cncc3C)[C@H](OC)C2)C1=O 1081949548 UWGROKOAJMINGD-OWCLPIDISA-N 361.446 -0.206 30 20 FBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(S(N)(=O)=O)c1 1083124211 NOQKGUYEGJIETH-QWHCGFSZSA-N 353.400 -0.525 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2O)CC1 1083754609 ZKVZWTMDKGNPMV-CVEARBPZSA-N 351.447 -0.247 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]2O)c1 1083764896 CGTPZYROBVPWJV-CABCVRRESA-N 358.377 -0.401 30 20 FBED C[C@@H](CC(N)=O)C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2cnc(C#N)cn2)C1 1089092612 QRCIREXKGGRXMI-UHTWSYAYSA-N 369.389 -0.685 30 20 FBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090486713 OBUIHNLDOWFAHC-MGPQQGTHSA-N 351.382 -0.248 30 20 FBED 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CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463258 GAQNZLMOPBVCQE-MELADBBJSA-N 370.475 -0.676 30 20 FBED C=CCOCC(=O)N1CCN(Cc2nc(C)no2)[C@H]2CS(=O)(=O)C[C@H]21 1108465000 HJGLSKBZALBGGT-QWHCGFSZSA-N 370.431 -0.610 30 20 FBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 1110126307 OQCVPKUHXIOQCG-UGUYLWEFSA-N 350.463 -0.269 30 20 FBED C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(CCS(C)(=O)=O)C2 1111712923 LBHPQCASHQVZQQ-BBRMVZONSA-N 355.460 -0.859 30 20 FBED CC(C)C(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111766766 BHCVKHGNNMRSBU-KSSFIOAISA-N 363.462 -0.289 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccccc2=O)C1 1111974939 KSHVXBOIMHBPIH-FTRWYGJKSA-N 370.453 -0.043 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114948301 AXAQTQYAULQREK-YXWQFLTLSA-N 371.503 -0.047 30 20 FBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(O)CCOC1 1121726429 RUEXNJPYKMSHIQ-QGZVFWFLSA-N 364.450 -0.718 30 20 FBED COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(C)CNC(=O)C1 1122204792 PUZGDJCRVHFHHD-KBXCAEBGSA-N 373.461 -0.121 30 20 FBED C=CCNC(=O)[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CSC)C1 1128677497 LMARUVZIMOGFJY-XQQFMLRXSA-N 352.464 -0.327 30 20 FBED CCn1c(C)nnc1CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)C#N)C1 1128830342 PZTUWQMYQKNLJT-BNOWGMLFSA-N 357.422 -0.101 30 20 FBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1128870290 RANDCMXIGPXBOT-KGLIPLIRSA-N 350.423 -0.652 30 20 FBED C=CCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1129437714 FPVCADOFRYPYLQ-MCIONIFRSA-N 368.463 -0.723 30 20 FBED N#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1n1ccnn1 1129516602 WCKLTTXHJMCUEK-CABCVRRESA-N 371.376 -0.288 30 20 FBED C=CCOCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](CC)C(N)=O)C1 1129733479 VYEDYYRVBITVIW-KFWWJZLASA-N 364.450 -0.134 30 20 FBED C#CCCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@@H]1n1ccnn1 1129876116 BPIAOZGLURHYAI-CABCVRRESA-N 356.386 -0.334 30 20 FBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 1130200270 FZZYZLQHZMSMFF-AAEUAGOBSA-N 354.374 -0.080 30 20 FBED C[C@H]1CCN(CC(=O)NCc2nc([C@H]3CCO[C@H]3CNCC#N)n[nH]2)C1 1130237720 BGHJYGRFOAECJZ-IHRRRGAJSA-N 361.450 -0.252 30 20 FBED C=CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3COCCN3C)n2)O1 1130780788 CQTFIDOLLGXLMJ-BFHYXJOUSA-N 364.450 -0.253 30 20 FBED CN(C)C(=O)c1cccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1141588767 GEWNATXLQHWHPA-UHFFFAOYSA-N 355.354 -0.161 30 20 FBED Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC[C@H]3CN(CC(=O)NCC#N)C[C@H]31)CC2 1188387530 FPUGHSUYFCLCSQ-GRDNDAEWSA-N 370.457 -0.005 30 20 FBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1188630437 PKOUTNCLOOECHW-YXISZKLHSA-N 363.458 -0.127 30 20 FBED C[C@H](CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21)N1CCCC1=O 1189762837 GOQHYKNXQDQEFX-QLFBSQMISA-N 361.446 -0.440 30 20 FBED CCOc1cnc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)cn1 1190501767 XUUGKBFFFUILLM-GXTWGEPZSA-N 358.402 -0.339 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H](C)c2nnc(C)s2)C[C@H]1O 1192396634 PDGCWSRRQHPLQB-YUSALJHKSA-N 351.432 -0.792 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 1194135704 DLAITFHHBYANIH-OASPWFOLSA-N 354.357 -0.175 30 20 FBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 1195158443 ZFLAMFRNMMTGEF-VXGBXAGGSA-N 371.319 -0.485 30 20 FBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2CC(F)F)C[C@H]1O 1199313042 JJBMJJSSJWHQBK-IJLUTSLNSA-N 359.377 -0.204 30 20 FBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H](C)C1 1207537978 JSGFHFIAIQEBMM-MCIONIFRSA-N 355.460 -0.860 30 20 FBED C=CCOCCN1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 1211021298 ZHFRGODFPINYMF-HUUCEWRRSA-N 359.492 -0.644 30 20 FBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](c1cccnc1)N(C)C 1211381973 OARVWEBJWJWTLA-FRFSOERESA-N 358.446 -0.239 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccnn2CCC)[C@H](OC)C1 1212338833 UBENETXEYCLDLD-IIAWOOMASA-N 361.446 -0.140 30 20 FBED C=CCCCN1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](OC)C1 1213855406 SHNJPEMTVKKWBC-HUUCEWRRSA-N 359.492 -0.502 30 20 FBED CCCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216993588 LQLARCAFZAVICE-JHJVBQTASA-N 352.439 -0.710 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OC 1217409248 WWAKXSIALSICCM-SOUVJXGZSA-N 352.435 -0.305 30 20 FBED C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218753344 XPEOFRRTWNNAMN-VHDGCEQUSA-N 360.418 -0.860 30 20 FBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCCOC(C)C)C[C@@H]1O 1219541791 QHLHWHBHKDAPRU-CVEARBPZSA-N 353.463 -0.118 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1O 1219609208 HAFXWVOXGQFGSC-CABCVRRESA-N 361.446 -0.294 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 1219632781 JYQOPFFEFBBGDE-XHSDSOJGSA-N 364.490 -0.450 30 20 FBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccnc3ccnn23)C1 1219790418 HOCOQQDMDXRYDS-BZPMIXESSA-N 358.402 -0.805 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(C)C)nn2CC)C1 1219938250 XXMUVPXBZGMURY-ZBFHGGJFSA-N 361.446 -0.449 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 1219992763 VYXSEVYHNNFVHI-CVEARBPZSA-N 357.414 -0.431 30 20 FBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1220209363 LJOSJFWZQUQOGO-KURKYZTESA-N 365.474 -0.559 30 20 FBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1221089879 RUSGSCCUOCMHAH-NEPJUHHUSA-N 366.422 -0.697 30 20 FBED C[C@@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221726330 DLDPNACVZIDLPR-MGPQQGTHSA-N 363.462 -0.290 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCS(C)(=O)=O)[C@@H]2C1 1221867441 OWOQYYNDPRHZFP-ZIAGYGMSSA-N 355.460 -0.907 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)COC[C@@H]3CCCO3)C[C@@H]21 1224328923 NFGRKLIKADDQBX-IKGGRYGDSA-N 363.458 -0.146 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225860596 HBIPACIBNFRGFV-YNEHKIRRSA-N 367.450 -0.460 30 20 FBED C=C(Br)CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1261152884 VWIHOXSQDUFQBO-UHFFFAOYSA-N 353.238 -0.048 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 1261157217 ILJIRRKUHBFNPY-CJNGLKHVSA-N 360.458 -0.427 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1nc2n(c1=O)CCCCC2 1317776898 LKJGWKVEYSYNSL-NSHDSACASA-N 365.390 -0.285 30 20 FBED CCN(CCCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1321980735 YXYYQSUXQZAAHD-OAHLLOKOSA-N 358.464 -0.074 30 20 FBED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 1325422428 GATAIZUVLKFMSN-ZDUSSCGKSA-N 370.456 -0.553 30 20 FBED CCS(=O)(=O)N(C)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1326580502 GXNVPLRMDZCQLQ-UHFFFAOYSA-N 369.451 -0.395 30 20 FBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 1326841829 VGSPPXKHHPSIED-SFHVURJKSA-N 361.446 -0.439 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 1327488727 CPCAZHXRMKLFRE-UHFFFAOYSA-N 360.432 -0.495 30 20 FBED CO[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1328117778 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COCCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCN(CCC#N)CC1 1342917965 SONLMBGMMPQIHC-CQSZACIVSA-N 361.450 -0.046 30 20 FBED CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](c2cnn(C)c2)C1 1344327329 OBDITIUAXWEXKK-TUKIKUTGSA-N 360.418 -0.531 30 20 FBED C=C[C@H](COC)NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1347039280 NWFIVYYKTIRKIC-CHWSQXEVSA-N 361.464 -0.376 30 20 FBED CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1=O 1350926786 MLDLXNCXCQTLEA-SJKOYZFVSA-N 350.419 -0.373 30 20 FBED N#Cc1cn(CC(=O)Nc2ccc(N3CCOCC3)cn2)c(=O)nc1O 1440871080 PISDCRCWMQNOLP-UHFFFAOYSA-N 356.342 -0.309 30 20 FBED CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H](C)[S@]1=O 1568885169 QUHBOXOCFRTEKQ-PAKXUUGISA-N 352.416 -0.031 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CNC(=O)C1 1570343179 LOXHKVBNCLNITE-PWSUYJOCSA-N 350.400 -0.523 30 20 FBED N#Cc1cc(C(=O)NCC2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c[nH]1 1581866069 RRPKJOAPLAKCJF-UHFFFAOYSA-N 365.357 -0.103 30 20 FBED 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360.374 -0.340 30 20 FBED C=C(Cl)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 968673852 KEMDHUHMACCNDO-UTUOFQBUSA-N 357.838 -0.021 30 20 FBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4n[nH]cc4C3)C2)[nH]1 969051782 YOBHLPGJDVDIPX-GTTSAUCSSA-N 368.397 -0.284 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)n3cncn3)C[C@@H]2O)cc1 969473266 NUMAAHUDWDNWSL-MAZHCROVSA-N 353.382 -0.178 30 20 FBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)C2)nc1 969895038 BNLYCYDAQGKDED-ZRGWGRIASA-N 370.409 -0.719 30 20 FBED CS(=O)(=O)CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 971480608 WYLZRTDHWOORRH-ZWNOBZJWSA-N 350.400 -0.396 30 20 FBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)n4cncn4)[C@@H]3C2)nn1 971865399 FJUVWRYAMYXSFG-GZBFAFLISA-N 370.417 -0.010 30 20 FBED Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c(O)nc1=O 972089498 YSQJJSXBBBCOKW-TZMCWYRMSA-N 356.382 -0.428 30 20 FBED Cn1cnn(CC(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)c1=O 973019583 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C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3nccc(C)n3)C[C@H]2O)nn1 1023769069 HQHFZJSPBLMWBV-DGCLKSJQSA-N 357.374 -0.822 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](OC)C3CCC3)C[C@H]2O)nn1 1023771358 RYVMLCSAPTXZLW-YUELXQCFSA-N 363.418 -0.419 30 20 FBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 1023834235 VDNPGNKTIMYDDE-OWCLPIDISA-N 357.414 -0.816 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1O 1023958860 YPFIEMCZPBEVRL-NGFQHRJXSA-N 364.402 -0.410 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(CC)nc3C)C2)cn1 1024439422 XQXBBNWLCAYYSH-HUUCEWRRSA-N 368.397 -0.402 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]c4nccc3-4)C2)c[nH]1 1024756314 PWLYELRKTWFSNV-CHWSQXEVSA-N 365.353 -0.275 30 20 FBED CC(C)[C@@H](O)C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2nccnc2C#N)C1 1039605982 BZRNCPWMOOVFSN-HZSPNIEDSA-N 356.390 -0.179 30 20 FBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CN3C(=O)CCC3=O)C2)ccc1C#N 1041043750 FOVHWTBYSLGYHH-CHWSQXEVSA-N 357.370 -0.924 30 20 FBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)o1 1041097410 JFVZKMAYHQEANO-ZIAGYGMSSA-N 370.369 -0.443 30 20 FBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cc3ncccn3n2)C1 1041135240 QTBPSERRDNEZGE-CHWSQXEVSA-N 350.342 -0.630 30 20 FBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041404980 GAXZPGMWAOOPMT-ZIAGYGMSSA-N 367.369 -0.319 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]2C)nn1 1042562757 AZYBHTYSNYCOBM-GHMZBOCLSA-N 354.378 -0.449 30 20 FBED Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]3O)cc12 1043971458 IMYGRGZTVADOLY-KGLIPLIRSA-N 364.369 -0.093 30 20 FBED Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044234716 SLUOBTKZMULBSV-HIFRSBDPSA-N 353.386 -0.061 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cn3nnc4c3CCCC4)C2)cn1 1044521275 GAQRGUIYHKLXDC-HIFRSBDPSA-N 368.401 -0.816 30 20 FBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nc1 1044831632 IXTXBHODCFPBSX-KSXIZUIISA-N 358.398 -0.330 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC2CC3)C1 1046824806 ZXCGXUAORVUOEL-PMPSAXMXSA-N 363.458 -0.391 30 20 FBED Cn1cnn(CC(=O)N2C[C@H]3CCN(c4ccnc(C#N)n4)C[C@H]3C2)c1=O 1049545373 CXPYPZAJRXMSST-OLZOCXBDSA-N 368.401 -0.772 30 20 FBED N#Cc1nccnc1N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc[nH]n2)C1 1051414245 SYOKPQATPLBRJP-OLZOCXBDSA-N 350.346 -0.477 30 20 FBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1n1ccnn1 1051441082 ZEURSPBIVXXSGD-MNOVXSKESA-N 366.345 -0.509 30 20 FBED C[C@]12CN(C(=O)c3nnc(O)nc3O)C[C@H]1CN(c1ccc(C#N)nn1)C2 1052644677 LMGOBLZOQRDZAK-ABKXIKBNSA-N 368.357 -0.457 30 20 FBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)nn1 1055058912 NBIGISVJDSJKAR-AGIUHOORSA-N 354.370 -0.373 30 20 FBED N#Cc1nc(=N[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C(F)(F)F)cc[nH]1 1055621430 TXDGCTXHLFWMKV-IWSPIJDZSA-N 369.307 -0.747 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C2=COCCO2)C1 1055737822 CTCLANDLELEMRK-GLJUWKHASA-N 366.414 -0.065 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cnc(OC)nc1 1058700819 WUXIXSUXKQOXAW-KGLIPLIRSA-N 364.402 -0.373 30 20 FBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1058841418 MOEYMVGUFJRAKI-UONOGXRCSA-N 353.419 -0.850 30 20 FBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1061885543 PSLYNFHQCGLQRZ-MELADBBJSA-N 365.430 -0.281 30 20 FBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCC1 1063046366 LAGUZPYMFXQJID-RBSFLKMASA-N 351.447 -0.101 30 20 FBED C#CCOCCC(=O)N1CC2(CC[C@H](CNC(=O)[C@@]34COC[C@@H]3C4)O2)C1 1068582891 UTHQCQIGDNRDGY-KHYOSLBOSA-N 362.426 -0.061 30 20 FBED N#CCN[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@@H]1n1ccnn1 1070236794 KBGWZYOIXLIKDX-KGLIPLIRSA-N 351.374 -0.412 30 20 FBED C=CCN[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@@H]1n1ccnn1 1070275399 KKTTXXYVFNXHQA-HIFRSBDPSA-N 371.445 -0.044 30 20 FBED C#CCN[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1cn(C)cn1 1070565331 QBJBJAMUXRIQPD-GOEBONIOSA-N 352.398 -0.255 30 20 FBED C=C(C)CN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)Cn4nccn4)C3)[C@@H]2C1 1070913599 QXPIXEZYOIGFPC-KFWWJZLASA-N 360.418 -0.040 30 20 FBED Cc1ccn(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(CC#N)C[C@H]43)C2)n1 1070919272 DCHRRTOXCALNQA-KFWWJZLASA-N 358.402 -0.179 30 20 FBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(C(N)=O)cc3)C[C@H]2O)c[nH]1 1076906366 XSGGQYATTYAHES-HZPDHXFCSA-N 353.382 -0.040 30 20 FBED C#CCOc1ncccc1C(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O 1078028078 XSDWHPAWOJJMHW-QLFBSQMISA-N 358.398 -0.853 30 20 FBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cc(Cl)no3)C2)C1=O 1078049322 FFSCZDUFZNNWMY-GMTAPVOTSA-N 354.794 -0.110 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nnc(O)nc1O 1078533089 CKYCWJBIXKLALZ-AEJSXWLSSA-N 351.363 -0.502 30 20 FBED C[C@@]1(C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2O)CCNC1=O 1083774377 DNTJPQRDYRMKKY-JTDSTZFVSA-N 359.401 -0.135 30 20 FBED CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090441905 XRFMRNUCDKHEHC-ZIAGYGMSSA-N 360.418 -0.337 30 20 FBED 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C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)NC)cn1 276833939 QASCMRRKGKOYHD-UHFFFAOYSA-N 362.433 -0.288 30 20 FBED COC(=O)CN(CCS(=O)(=O)c1ccc(C#N)cn1)CC(=O)OC 289944477 OVPZJPZERJRZAR-UHFFFAOYSA-N 355.372 -0.625 30 20 FBED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)OC 293972105 KLQVHMUNWSUBLJ-GXFFZTMASA-N 369.399 -0.471 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCS(C)(=O)=O)c1 298970109 KOYWDWAYHWPSRY-UHFFFAOYSA-N 358.441 -0.237 30 20 FBED C[C@H](/C(O)=N/CCS(=O)(=O)N1CCSCC1)N1CCN(C)CC1 328653348 LBSXSFFLBUFKSS-CYBMUJFWSA-N 364.537 -0.043 30 20 FBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCC[C@H]1C#N)C2 329823504 HMTUBYKUUARGSD-NWDGAFQWSA-N 361.406 -0.445 30 20 FBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N[C@H]2CCCS(=O)(=O)C2)C1 329842332 NUUGOSWMPADEBT-QWRGUYRKSA-N 353.466 -0.509 30 20 FBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](CO)CC1 349489435 GWHDOBNDLJTGIK-CYBMUJFWSA-N 367.493 -0.414 30 20 FBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCc2ncsc2C1 349490843 GVQZGGWVHKASRN-UHFFFAOYSA-N 364.474 -0.336 30 20 FBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)c1C#N 349580352 ZKRXEJDYPJQEMD-VIFPVBQESA-N 374.448 -0.199 30 20 FBED C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349596682 ZTEPBKSQXMKNIN-SNVBAGLBSA-N 361.449 -0.083 30 20 FBED CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 367140699 KUPIOTBTUSZXNC-VXGBXAGGSA-N 352.482 -0.275 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)C1=O 371405356 CPFJFXXHUTVHSF-MEDUHNTESA-N 351.359 -0.583 30 20 FBED N#CCNC(=O)CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 376195867 AOZLOISJCCXZRW-QWHCGFSZSA-N 364.402 -0.276 30 20 FBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)Cn2cnc(C#N)n2)C1 426445023 KSXRBKSHPCDXTN-LBPRGKRZSA-N 362.390 -0.590 30 20 FBED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c(F)c1 437265688 INDAXTIUCXFCPT-UHFFFAOYSA-N 364.377 -0.211 30 20 FBED CN(CCC#N)S(=O)(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 447160722 QZZHWKSQEGZHLK-WUHRBBMRSA-N 352.416 -0.527 30 20 FBED CNC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 530919580 MCCJCDXFLWFPCE-UHFFFAOYSA-N 367.413 -0.170 30 20 FBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 540368939 BRUXDHKATTYJEZ-ZDUSSCGKSA-N 374.397 -0.022 30 20 FBED Cc1cc(C#N)cnc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 555679028 DEUCYEGEAOMZBF-UONOGXRCSA-N 364.427 -0.511 30 20 FBED COC(=O)CN(CCN1CCOCC1)CC(=O)N[C@](C)(C#N)C1CC1 558006541 RZPFEZPSSFLNLV-QGZVFWFLSA-N 352.435 -0.398 30 20 FBED N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 563224485 DCBGJCKXCVYAIQ-LBPRGKRZSA-N 358.397 -0.428 30 20 FBED N#CCC(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 565608743 QPPWGMLWZATSFW-UHFFFAOYSA-N 372.428 -0.919 30 20 FBED C[C@@H]1COCCN1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 581973994 MKOKZQOROGIEAC-CYBMUJFWSA-N 366.443 -0.327 30 20 FBED N#CCN1CCC(CNC(=O)CNS(=O)(=O)c2cccnc2)CC1 589431170 PMDJWRFLQGEBKL-UHFFFAOYSA-N 351.432 -0.288 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 603495906 QJEWTTBBDMXMPU-LBPRGKRZSA-N 350.400 -0.440 30 20 FBED 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Cc1cc(=O)c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c[nH]1 962339265 BCXQSYKJFKEFHC-HIFRSBDPSA-N 355.354 -0.502 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2O)nn1 964301018 YKWXVUMNCHJCHR-HIFRSBDPSA-N 369.385 -0.331 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4nccn4C3)C2)c1 968326249 YPBUHILDLDXJBF-YUELXQCFSA-N 368.397 -0.353 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn(CC)n2)C[C@@H]1O 970711391 FIQMAXNICNLFGK-WCVJEAGWSA-N 362.430 -0.276 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc3nc[nH]c23)C[C@@H]1O 970712160 WLPRZBUTGAEJRN-RABLLNBGSA-N 371.397 -0.150 30 20 FBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CN1CCOCC1=O 987646683 JUZDVFBYNGVSMT-RISCZKNCSA-N 359.386 -0.536 30 20 FBED N#Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)c3cn[nH]c3)C2)c[nH]1 990823228 UASQPTAAVYNVSV-KGLIPLIRSA-N 365.357 -0.303 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 992037610 HKXFROJVJLAQOQ-FFSVYQOJSA-N 363.414 -0.168 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCS2(=O)=O)C1 992075054 SGLAXFDQRXSYKO-KGLIPLIRSA-N 371.459 -0.670 30 20 FBED C[C@@H](C#N)C(=O)N1CC(n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 994724304 FTGMFXSANWNKMP-MJVIPROJSA-N 362.390 -0.759 30 20 FBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)c1 998208666 AKFIYFCWICIPAL-NMKXLXIOSA-N 369.381 -0.199 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CN2CCCNC2=O)C1 1006898802 WPOJBTMFUUZXOJ-YUELXQCFSA-N 364.446 -0.044 30 20 FBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nccc(C)n3)C2)c1 1023552169 RMSLNPTWVXIFHP-HUUCEWRRSA-N 351.366 -0.223 30 20 FBED C=CCOc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 1023621215 BZYXJYJFNZUMBK-VXGBXAGGSA-N 357.370 -0.015 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 1024760959 LOEYBHOZEZWXCI-MIGQKNRLSA-N 374.441 -0.199 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c(C)cnn3C)C[C@H]2O)cn1 1024925227 BFTASNBTIZHUHL-HUUCEWRRSA-N 353.382 -0.280 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cncc(OC)n3)C[C@H]2O)nc1 1024927522 BANSYVRZKKCVBN-HUUCEWRRSA-N 367.365 -0.523 30 20 FBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1024949156 GNZFUVHZUJCWBM-CHWSQXEVSA-N 355.354 -0.095 30 20 FBED C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O)c1cncnc1 1025197179 BMYDOCPRYYJTPP-VCTAVGKDSA-N 354.370 -0.218 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C34CCCN3CCC4)C[C@H]2O)c1 1025552132 JBGCZEJVKNUJKU-IAGOWNOFSA-N 368.437 -0.007 30 20 FBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 1041022513 WTPKJMMFKFLHOR-XJKCOSOUSA-N 367.365 -0.146 30 20 FBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1041061346 OSIBEKONPTUZCN-UPJWGTAASA-N 350.400 -0.804 30 20 FBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4nn[nH]c4n3)C2)c(C#N)cn1 1041411793 SUPGHBUVTKFVAX-UKRRQHHQSA-N 364.369 -0.093 30 20 FBED CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043729846 AVQBZJLVYOYXLC-QLFBSQMISA-N 370.413 -0.225 30 20 FBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4nncn4C3)C2)c(C#N)cn1 1043996374 AACXKPVARGZUCI-XPKDYRNWSA-N 367.413 -0.219 30 20 FBED CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044152001 SMFFFAVCAYGWQS-BNOWGMLFSA-N 358.402 -0.585 30 20 FBED Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044234689 RKXBYZZYXHZNFP-HIFRSBDPSA-N 353.386 -0.061 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1046820640 RLOZHIMBCXJKJC-RDBSUJKOSA-N 365.430 -0.722 30 20 FBED CCO[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1CNc1cnc(C#N)cn1 1047795966 RNDQPDGSJOLMQW-MRVWCRGKSA-N 358.402 -0.098 30 20 FBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C)n1 1050512560 PDZDZMSONATHIR-YPMHNXCESA-N 356.386 -0.103 30 20 FBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CO2)C1 1053878232 FJDYHFASYIPBGV-OAGGEKHMSA-N 364.446 -0.651 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(Cc1nnn(C)n1)C2 1053953910 CSTKUQFITPTYNZ-YDHLFZDLSA-N 362.434 -0.349 30 20 FBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054402292 RKJTVRIYIFWCQA-VXGBXAGGSA-N 371.401 -0.829 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1055313232 HKPBAORKMZLKKJ-IVDOMPFISA-N 365.430 -0.737 30 20 FBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)nc1 1055370387 WBKJYVSQJCQFBG-UTUOFQBUSA-N 355.358 -0.118 30 20 FBED N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)c3nnc(O)nc3O)C2)n1 1055592741 DRZHBEDYXDHGAQ-FVMDXXJSSA-N 368.357 -0.267 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057455112 AHQQOGGKLQLDNA-CVEARBPZSA-N 364.446 -0.119 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C(=O)NC)CC1 1057733832 VJAWDFZFYUGEEB-KGLIPLIRSA-N 367.446 -0.569 30 20 FBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1067239785 KSLZCLIOPDKZHT-KGLIPLIRSA-N 364.446 -0.843 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](n3ccnn3)[C@H](NC(=O)c3cocn3)C2)C1=O 1069903439 XGTIJOKFRNUIRT-YUELXQCFSA-N 371.401 -0.292 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1069972962 FRRVXYYBXYRCBQ-BBWFWOEESA-N 358.446 -0.099 30 20 FBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1069980449 VTZOCQIBCMXNQJ-KGLIPLIRSA-N 356.386 -0.346 30 20 FBED C=C(C)CN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4nnn(C)n4)C3)[C@@H]2C1 1070916426 MERHRCJKGMEDEJ-XQQFMLRXSA-N 361.406 -0.494 30 20 FBED Cn1cnc(C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2O)cc1=O 1077162095 COEYDDQIKRQGSR-HZPDHXFCSA-N 371.372 -0.234 30 20 FBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1080562554 DJHCZDYZTZACAT-OLZOCXBDSA-N 362.430 -0.913 30 20 FBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1083589361 CUJAWYVBAWQARO-UPJWGTAASA-N 362.268 -0.223 30 20 FBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)COC)C[C@H]2c2cnn(C)c2)C1=O 1086959297 YJZOYQNZSOZBHP-ARFHVFGLSA-N 361.446 -0.263 30 20 FBED CNC(=O)CC(=O)N1C[C@H](n2ccnn2)[C@H](Nc2ccc(C#N)nc2)C1 1089086317 PMIAPGSGOLVLSL-KGLIPLIRSA-N 354.374 -0.455 30 20 FBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C2)c1C#N 1090502040 ITJORNQRCYCYKB-RKDXNWHRSA-N 359.358 -0.630 30 20 FBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1090504190 WOODTMTXECWVDP-TZMCWYRMSA-N 357.370 -0.842 30 20 FBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C3CC3)C2)c1C#N 1090551439 ASWGSKVKQFVWPS-CHWSQXEVSA-N 363.443 -0.143 30 20 FBED Cc1noc(CCCC(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n1 1091107363 HPBUOWGZPKMHCH-OLZOCXBDSA-N 357.374 -0.272 30 20 FBED C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)N1CCCC1=O 1091123485 UQGLRPIBHQMCBR-XQQFMLRXSA-N 358.402 -0.585 30 20 FBED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091127329 JSUAOZFUSYNPRW-BNOWGMLFSA-N 354.370 -0.124 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)CCn3cnnn3)C2)c(Cl)c1 1091133614 ZBOGDCAOPHYGMX-NEPJUHHUSA-N 362.781 -0.651 30 20 FBED CC(C)C(=O)N(C)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091193040 RPQIDPOICXMNTQ-KGLIPLIRSA-N 363.393 -0.128 30 20 FBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)c3nccn32)C1 1092398750 OCWVBDHZMMFTRY-MELADBBJSA-N 357.414 -0.489 30 20 FBED C=C[C@](C)(O)CC(=O)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1092783246 MQTNGNRGZSVYPG-WWGRRREGSA-N 366.443 -0.382 30 20 FBED CC#CCN1CCN(C(=O)CCc2cnc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094637211 PNGRATVMLXEGGP-LSDHHAIUSA-N 350.444 -0.325 30 20 FBED N#Cc1cncc(N2CCN(CCCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1096259016 MOLNRYRXETZXQH-KGLIPLIRSA-N 357.418 -0.902 30 20 FBED C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1CNC(=O)CSCC#N 1101736213 STLVQVJFLABODX-KFWWJZLASA-N 368.503 -0.089 30 20 FBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1102619022 PURKWPQWHJPPEX-FRFSOERESA-N 364.490 -0.029 30 20 FBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCNC(=O)C2)C1 1102855113 JEIXBDAGBYWJAM-RBSFLKMASA-N 350.463 -0.111 30 20 FBED C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1CCNCC(=O)NCC#N 1104689303 OMMGQPDKRGJRLY-ZIAGYGMSSA-N 361.450 -0.538 30 20 FBED C=CCNC(=O)NC(=O)CNCC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1104810408 QEYLZCZUFYCTJM-VXGBXAGGSA-N 363.422 -0.496 30 20 FBED Cn1ccc(C(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)cc1=O 1107453348 MZLLQJRDMSLRAI-DNVCBOLYSA-N 371.441 -0.001 30 20 FBED C#CCNC(=O)CN1CC[C@@]2(CNC(=O)c3cc(C(N)=O)c[nH]3)CCC[C@@H]12 1107585875 UIEZPBQWHDCSIH-DNVCBOLYSA-N 371.441 -0.163 30 20 FBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108216619 GZQZYBBIFXEQNT-HDMKZQKVSA-N 351.447 -0.432 30 20 FBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn2c(n1)COCC2 1109447669 ZOPIXYCXGZBBCZ-DYEKYZERSA-N 358.402 -0.612 30 20 FBED COc1cccnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109642650 PJRLNQVCBYQTBK-IPYPFGDCSA-N 357.414 -0.006 30 20 FBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1109671644 VLVNSEBSPCYKCP-OWSLCNJRSA-N 373.457 -0.172 30 20 FBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)ccc1=O 1110015077 XLMZGQJTZBTSEQ-FZKCQIBNSA-N 373.457 -0.036 30 20 FBED CS(=O)(=O)N1CCC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1116062779 MJTKWFMEKCMOTC-AKCBPTIMSA-N 370.431 -0.557 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCOC3)CC2)c1C#N 1117685131 HHDDSVOUUANVJA-JSGCOSHPSA-N 374.445 -0.210 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N 1125279976 OBHZKYJBRRSKCG-ZNMIVQPWSA-N 359.430 -0.067 30 20 FBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ocnc2C)C1 1128861519 ZKMQMGNAEUHQMW-OLZOCXBDSA-N 359.390 -0.468 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@@H]1n1ccnn1 1129778071 MJLIMWGGCDRSHN-KFWWJZLASA-N 364.450 -0.263 30 20 FBED C=CCCN[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1n1ccnn1 1129866925 KPHPFORPKPFGNB-KGLIPLIRSA-N 353.390 -0.053 30 20 FBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@@H]1n1ccnn1 1129927407 WXBGGTMOIRWUKT-BBWFWOEESA-N 358.446 -0.099 30 20 FBED C=CCCN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@H]1n1ccnn1 1130038202 RLSBWQZQKZIZRV-HZSPNIEDSA-N 368.463 -0.770 30 20 FBED 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366.418 -0.189 30 20 FBED N#Cc1nccnc1N1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1058650376 LQFZLOOXWBIXGM-BFHYXJOUSA-N 370.413 -0.144 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)CN1CCCCC1=O 1058874248 QXSIEPPMXOOJRH-CABCVRRESA-N 367.446 -0.473 30 20 FBED Cc1cc(C#N)nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1061446383 ITXZUSWIIGJPFQ-MELADBBJSA-N 358.402 -0.225 30 20 FBED N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1066702882 RDZBNQWOVWSKHY-OAGGEKHMSA-N 368.441 -0.202 30 20 FBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1070089869 CCPUMIKNIUBFEF-OLZOCXBDSA-N 363.809 -0.220 30 20 FBED C=C(C)CN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H]1n1ccnn1 1070322277 XSONRYRQSVKQDM-UPJWGTAASA-N 361.406 -0.816 30 20 FBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1c1cncn1C 1070662548 XRAYWAOQRZESGN-MGPQQGTHSA-N 369.429 -0.503 30 20 FBED Cn1cnc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2O)cc1=O 1077161229 ORAJNHBGJRRGOC-HZPDHXFCSA-N 371.372 -0.234 30 20 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C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 810782159 YSLIBTVATVCXSS-UHFFFAOYSA-N 360.413 -0.049 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 825975006 JDAMACQXEXZWBT-OAGGEKHMSA-N 360.458 -0.425 30 20 FBED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834516031 DUDLETZPCNXKMH-ZFWWWQNUSA-N 364.427 -0.215 30 20 FBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 867581664 NOVVHCXINDEDRC-YOEHRIQHSA-N 372.425 -0.185 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H](OC)C2)nc1 942855648 ARJMJLVABYWNQW-FVQBIDKESA-N 370.409 -0.313 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]2OC)cn1 944090676 DCKHKNQWTDPVHE-APHBMKBZSA-N 371.393 -0.028 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2OC)cc1 944336596 ARCGPHCSBPQYLN-HUUCEWRRSA-N 364.423 -0.332 30 20 FBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)[C@H](OC)C2)cn1 944465985 SJROXEMLDRSMQW-RBSFLKMASA-N 371.397 -0.958 30 20 FBED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]32)[nH]1 960266758 LUAIBJDUZLRKFB-TUKIKUTGSA-N 371.397 -0.536 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)c1 960601216 KJYPGGXVGAHNEH-TUKIKUTGSA-N 356.382 -0.003 30 20 FBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@@H]2O)[nH]1 962347590 YLDFEVIEBVNHRV-CVEARBPZSA-N 368.397 -0.038 30 20 FBED Cc1ncnc(O)c1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388581 ZIXIKSMYVAYRPP-NEPJUHHUSA-N 356.342 -0.694 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2O)nn1 964299565 MOQOLXAMVYTYRW-FOGDFJRCSA-N 355.345 -0.189 30 20 FBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCOC3(CN(C(=O)C#CC4CC4)C3)C2)O1 965408411 FYFUXNSGSOEHHL-GDBMZVCRSA-N 361.442 -0.441 30 20 FBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 965977775 HMLDEJHRHJEDAT-XQQFMLRXSA-N 363.414 -0.432 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 968658023 JJTXAXIKNWIXBA-WCVJEAGWSA-N 373.409 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N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)n1 1041029237 VXSZIDTYXDNBAH-CHWSQXEVSA-N 367.369 -0.182 30 20 FBED CCCn1nc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)ccc1=O 1041044179 PNANCGARJCXNJP-HUUCEWRRSA-N 368.397 -0.101 30 20 FBED CN(C)c1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)nc1 1044005933 FSORSAQNIZWJLX-KGLIPLIRSA-N 353.386 -0.211 30 20 FBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1044140660 AAWGAAIJCCFPBH-CVEARBPZSA-N 371.441 -0.126 30 20 FBED CCc1cnc(O)c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)c1 1044140751 BWBURZOTWIMHHP-KGLIPLIRSA-N 354.370 -0.009 30 20 FBED Cn1ncc2cc(C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3O)cnc21 1044141459 QJDGVSRVJONMPQ-OLZOCXBDSA-N 364.369 -0.391 30 20 FBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCc4nn[nH]c43)C2)n1 1044441165 IMJJJCXFHTZOEK-UHTWSYAYSA-N 354.374 -0.748 30 20 FBED COc1cc(CC(=O)N[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]2O)ccn1 1044527297 KMTWEAABMQRBPY-CABCVRRESA-N 368.397 -0.031 30 20 FBED Cn1cncc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1n1ccnn1 1051450855 VHFJEFNWMMMZPJ-OCCSQVGLSA-N 364.373 -0.467 30 20 FBED C[C@]12CN(C(=O)C3CS(=O)(=O)C3)C[C@H]1CN(c1ccc(C#N)nn1)C2 1052446563 TTWNKGDPBLBIOE-WBMJQRKESA-N 361.427 -0.322 30 20 FBED N#Cc1cncc(N2[C@H]3CC[C@H]2CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C3)n1 1059512178 ZAJMGSDBWUAMSF-ZQDZILKHSA-N 370.413 -0.003 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1063657507 VFJWWGXHVAIRSG-FRRDWIJNSA-N 358.402 -0.606 30 20 FBED C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1065160992 JZZVHXMYKYMORQ-HZSPNIEDSA-N 367.446 -0.035 30 20 FBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1069969499 ZACZHQKJRAWKKJ-KGLIPLIRSA-N 351.370 -0.544 30 20 FBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1069973038 IVRKWNBKIXWDNK-MCIONIFRSA-N 353.448 -0.370 30 20 FBED O=C(C#CC1CC1)N1C[C@H](n2ccnn2)[C@H](NCc2nnnn2C2CC2)C1 1070192787 PEKQTKLPCZPBMI-CABCVRRESA-N 367.417 -0.445 30 20 FBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@@H]1n1ccnn1 1070210580 PMRRKSCIZSSJHZ-OAGGEKHMSA-N 365.397 -0.330 30 20 FBED C#CCN[C@@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)C[C@@H]1n1ccnn1 1070275376 JBDUNLXRRMVRIZ-HIFRSBDPSA-N 369.429 -0.597 30 20 FBED C=CCCn1cc(C(=O)N2CC[C@H]3CN(Cc4nnnn4C)C[C@H]32)nn1 1076345037 LBEBVBVMBVXTQI-GXTWGEPZSA-N 357.422 -0.276 30 20 FBED C#Cc1cccc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)c1 1077728648 KOHCCEODDHFLEL-IAGOWNOFSA-N 365.393 -0.129 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3cn(C(C)C)nn3)C[C@H]2O)nn1 1077802303 AQNQLXBLNGQSQH-UKRRQHHQSA-N 360.422 -0.388 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)Nc3cc(C)on3)C[C@H]2O)cn1 1078032536 SUOXCKHFCNHKRF-HUUCEWRRSA-N 369.381 -0.227 30 20 FBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1080767913 AYEUTFMXUOIMEY-QWHCGFSZSA-N 353.419 -0.545 30 20 FBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1081004469 CZCDPTWJHZGOHW-RWMBFGLXSA-N 350.419 -0.660 30 20 FBED 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CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 349468515 VAECVSPSYXVTDA-LLVKDONJSA-N 353.466 -0.760 30 20 FBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349502698 OIXTZXDTPDROLO-UHFFFAOYSA-N 374.444 -0.255 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)OC)C1=O 361067045 LZNORLHOCDIENX-WDEREUQCSA-N 367.358 -0.858 30 20 FBED C=CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)nn1 424909623 UYDWEGDKSUWSMB-SNVBAGLBSA-N 353.408 -0.819 30 20 FBED COc1cc2c(cc1S(=O)(=O)N1CCO[C@@H](C#N)C1)OCC(=O)N2 429848058 PKVCAVINLHWXLW-VIFPVBQESA-N 353.356 -0.061 30 20 FBED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)c(F)c1 440089110 CLLGVIDXLKHNRZ-UHFFFAOYSA-N 363.392 -0.154 30 20 FBED N#Cc1cccc(NC(=O)CCN2CCN(CCS(N)(=O)=O)CC2)c1 440337245 GYLPTDQBNQALDY-UHFFFAOYSA-N 365.459 -0.207 30 20 FBED CS(=O)(=O)N1CCN(CC(=O)NCc2cc(C#N)ccc2F)CC1 469460133 CONILQQWDJAJES-UHFFFAOYSA-N 354.407 -0.109 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)Cc2cc(S(N)(=O)=O)cn2C)C1=O 487663836 SQSRWFSFLTWYKJ-ZDUSSCGKSA-N 354.432 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C[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1048071436 ZMNJBVBFSRCXBK-NEPJUHHUSA-N 351.432 -0.146 30 20 FBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C)n1 1050744449 PUGRFHXMIDNNDB-HIFRSBDPSA-N 371.445 -0.486 30 20 FBED N#Cc1nccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)c3cnccn3)C2)n1 1051413579 BMQPAGPKSBXERM-OLZOCXBDSA-N 362.357 -0.410 30 20 FBED C[C@H]1C[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)[C@H]2CS(=O)(=O)C[C@H]21 1054788043 MKAPIAOZAOLXGC-DOERSZECSA-N 361.427 -0.182 30 20 FBED N#Cc1nc(=NC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CCNC2=O)C3)cc[nH]1 1055675317 TYKYSFOIBPZMQO-LXIYXOSZSA-N 354.414 -0.053 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(OCC)n[nH]1 1057932321 UWNMLQBPZQIXQE-OCCSQVGLSA-N 366.418 -0.050 30 20 FBED C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1070374923 DTBKAKPOALBXIE-YCPHGPKFSA-N 363.462 -0.329 30 20 FBED CO[C@@H](C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1)c1cnn(C)c1 1070673381 QCYPMCMTLMEHPW-IIAWOOMASA-N 357.418 -0.051 30 20 FBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 1077550077 QVLPQXFFNHSVRB-JTNHKYCSSA-N 360.252 -0.027 30 20 FBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1077669949 XBTFHJNYPFVJOB-CHWFTXMASA-N 362.224 -0.911 30 20 FBED N#CCSCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080733955 QTKRTWWOKAHNEP-GHMZBOCLSA-N 356.404 -0.622 30 20 FBED N#Cc1cc(C(=O)N2CCC(CO)(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c[nH]1 1081006248 QDNIXJJQSUNJSJ-OLZOCXBDSA-N 359.386 -0.909 30 20 FBED CN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NCC#N)[C@H](c3ccccc3)C2)C1=O 1081190490 FJCBLVHVBJSIEE-UONOGXRCSA-N 369.381 -0.485 30 20 FBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(CCn4cncn4)C[C@@H]32)c1 1083188463 WKSCTEFIRNQARQ-DLBZAZTESA-N 352.398 -0.120 30 20 FBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)C1=O 1083513416 HIZFAFROUMGXJG-MCIONIFRSA-N 355.410 -0.547 30 20 FBED CCC(CC)C(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090450219 RKDLFICSCCLEHP-ZIAGYGMSSA-N 360.418 -0.434 30 20 FBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@H]1OC 1090886963 ZVQXHDXWEPHOOV-QFSBIZTOSA-N 364.402 -0.090 30 20 FBED C=CCOCC(=O)N1CCO[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]21 1091042372 ZBTQALVILMRAPB-NWDGAFQWSA-N 359.390 -0.623 30 20 FBED CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091120968 USNWLBJALZVSAE-BNOWGMLFSA-N 363.393 -0.094 30 20 FBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C 1092395892 KVWPJZACVVKAPB-VXGBXAGGSA-N 366.447 -0.572 30 20 FBED C#CCCN1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094635330 AGESUPWNTZQJMI-SOUVJXGZSA-N 367.471 -0.812 30 20 FBED C=CCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094643337 IOUNSDNQDNPCBM-HRCADAONSA-N 369.487 -0.259 30 20 FBED CC#CCN1CCN(C(=O)[C@H]2CCNC(=O)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649287 JEJUHAWQPGZPKK-QLFBSQMISA-N 367.471 -0.764 30 20 FBED C=C(C)CN1CCN(C(=O)[C@H]2CN(CC)CCO2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094682533 SWJMIXRUWUBSHI-ARFHVFGLSA-N 371.503 -0.407 30 20 FBED C#CCN1CCN(C(=O)c2cnc(OCC)cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094686188 KSTYUVNMVHZDBJ-UONOGXRCSA-N 364.427 -0.568 30 20 FBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096300356 UAMBQMFXJKCESY-UONOGXRCSA-N 371.445 -0.689 30 20 FBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1098477704 FVCWQAFKJBDQNA-DLBZAZTESA-N 365.474 -0.069 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)C2CS(=O)(=O)C2)C1 1103026253 DDZPWJYFLHNLHM-MGPQQGTHSA-N 369.487 -0.757 30 20 FBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCCN2C(=O)CNC2=O)C1 1104184974 XBDCRRURENEGIH-QLFBSQMISA-N 364.446 -0.349 30 20 FBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C 1106570222 SQZLJSOKLKSIMW-LBTNJELSSA-N 350.463 -0.111 30 20 FBED Cc1nc2ccnn2cc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106817224 RTOKWGTVWRCNKE-TZMCWYRMSA-N 369.429 -0.025 30 20 FBED C=C(C)CCC(=O)N1CCN(Cc2nnnn2C)[C@H]2CS(=O)(=O)C[C@H]21 1108473823 CKDOOEDJEDUFPD-QWHCGFSZSA-N 368.463 -0.624 30 20 FBED Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)no1 1110100340 HMJABEYSATVPOP-WOPDTQHZSA-N 360.374 -0.717 30 20 FBED CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111299894 PAOGBFUBBSAYNW-FPCVCCKLSA-N 363.462 -0.102 30 20 FBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1111603412 KSTKETHBQHUZKP-DUVNUKRYSA-N 361.402 -0.367 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CS(C)(=O)=O)C1 1111630610 KLCIBPCUBCJEIV-WWGRRREGSA-N 355.460 -0.860 30 20 FBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1111751336 QOIZJDUZRCCQQO-GJRWTSMGSA-N 360.458 -0.379 30 20 FBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cccn3nnnc23)C1 1111759920 PIRKQHAQBHDRTO-SJCJKPOMSA-N 368.401 -0.652 30 20 FBED CN1C(=O)CC[C@@H]1CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111829338 CYFKBMBEBLFHIU-IYOUNJFTSA-N 361.446 -0.392 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1112100595 GGQVETNDUFVEIB-IJLUTSLNSA-N 360.336 -0.357 30 20 FBED COCC#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1112401496 HVQUORICIOTELL-LPHOPBHVSA-N 363.458 -0.287 30 20 FBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1=O 1116907377 CGFAYZQSNDGVQM-CYBMUJFWSA-N 369.385 -0.154 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(CC(NCC(=O)NC(N)=O)C2)C1 1121791362 NWFASODPURYJFR-VCDAKLFPSA-N 350.419 -0.211 30 20 FBED COCC#CCN[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@@H]1n1ccnn1 1129727130 DCPMGDKMFLGWCA-CVEARBPZSA-N 357.418 -0.456 30 20 FBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1n1ccnn1 1130000555 DQRUJOLXOFNAAS-MJBXVCDLSA-N 362.409 -0.493 30 20 FBED C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1n1ccnn1 1130038175 PZPWLTUYJFMOPI-NEPJUHHUSA-N 352.826 -0.102 30 20 FBED Cn1cnc([C@@H]2CN(C(=O)CCC(F)F)C[C@H]2NCC(=O)NCC#N)c1 1130630789 VQDIZEJJLPMHLZ-WCQYABFASA-N 368.388 -0.011 30 20 FBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1c1cn(C)cn1 1130680402 OSTBGGTZNMSDNC-GOEBONIOSA-N 369.429 -0.290 30 20 FBED Cn1cc(C(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)ccc1=O 1130789959 ACEHEFKKODCCLE-QWHCGFSZSA-N 371.401 -0.233 30 20 FBED COCCC1(NC(=O)[C@@]23COC[C@@H]2C3)CCN(CC(=O)NCC#N)CC1 1151138220 VFJYUTOBIOCYJR-KSSFIOAISA-N 364.446 -0.350 30 20 FBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@H]1OCCO[C@H]1C 1160248872 GSWYFYDEFNFEAR-AVGNSLFASA-N 356.423 -0.714 30 20 FBED COCC#CCN1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 1188441798 PLFLOXMBIFQSNZ-QWHCGFSZSA-N 367.427 -0.277 30 20 FBED C[C@@H](C(=O)NCc1ccco1)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192045869 KVMKUHVNTYUVGP-IUIKQTSFSA-N 371.397 -0.041 30 20 FBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(=O)NCC=C)C[C@H]1O 1192374615 FYLDHWHEEPZBBB-RBSFLKMASA-N 364.446 -0.258 30 20 FBED CC(C)(C)C#CC(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O 1192871509 SEAYADNAXDBYJC-ZIAGYGMSSA-N 357.414 -0.267 30 20 FBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1192932676 ZSCJTYXTAOKUBK-BZUAXINKSA-N 367.446 -0.846 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1193577273 NDKBFJXBLQHDTQ-HUUCEWRRSA-N 361.402 -0.883 30 20 FBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1 1194408702 NQWIPENWRPACNA-TZMCWYRMSA-N 370.369 -0.849 30 20 FBED N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](NC(=O)CCn3cnnn3)C2)c1 1197161806 PQNZLDAZTAQEPB-HUUCEWRRSA-N 359.365 -0.565 30 20 FBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(OC(C)C)n2)C1 1197310885 KQRRDALDYBGPGQ-HUUCEWRRSA-N 362.430 -0.054 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn3ccccc3n2)C1 1198353530 WWHXDBHYZNQLIR-GZBFAFLISA-N 355.398 -0.753 30 20 FBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cn3c(C)cccc3n2)C1 1198507787 LKNRPTGIVPWGLJ-UKRRQHHQSA-N 355.398 -0.833 30 20 FBED N#CCSCC(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 1205476249 UATHQEZKQSGERZ-QWHCGFSZSA-N 352.460 -0.332 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)c2cnnc(C)c2)[C@H](C)C1 1206899473 KWOHBYVEVCSBII-BXUZGUMPSA-N 360.418 -0.153 30 20 FBED 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C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O 1221089821 QSONLFILODFCSJ-MJBXVCDLSA-N 354.451 -0.552 30 20 FBED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O 1221099777 YXDWNBDWPQEDTR-MAZHCROVSA-N 365.455 -0.100 30 20 FBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC3CC3)C[C@H]21 1221517632 GEPFVWKKKZDSOD-DFHBCGBQSA-N 364.446 -0.166 30 20 FBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1nc(COC)no1 1225779646 SKKWUYCQSWCXFD-CHWSQXEVSA-N 363.418 -0.128 30 20 FBED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1 1256780127 RQBLEADSGRMKQJ-UHFFFAOYSA-N 361.446 -0.439 30 20 FBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1261629880 UAGTUMAVWYIIQQ-KRWDZBQOSA-N 370.471 -0.088 30 20 FBED C=C(C)COCCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 1321733880 HCWTVCKYLKIEFK-UHFFFAOYSA-N 365.434 -0.404 30 20 FBED C#CCNC(=O)C1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 1321775300 OSKFJDFFIWCQOT-UHFFFAOYSA-N 363.439 -0.136 30 20 FBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 1322922629 DYYKRVUCJUDASE-CMPLNLGQSA-N 355.416 -0.172 30 20 FBED CCOC(=O)N(C)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326215171 FYLXIWISBYSDQJ-QGZVFWFLSA-N 366.418 -0.057 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)nn1 1326251382 WYBUKIWLSPECSP-LLVKDONJSA-N 350.423 -0.158 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 1327191158 ZAXNEUXERRQZJU-UHFFFAOYSA-N 374.445 -0.629 30 20 FBED N#Cc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1F 1327543904 HWCILTKTXRPYEU-LBPRGKRZSA-N 369.374 -0.356 30 20 FBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)nn1 1328106654 GMOJQQZHDZEQGY-ZDUSSCGKSA-N 362.434 -0.204 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)c2nc(N)nc(N3CCOCC3)n2)C1=O 1328708640 ODWRRCYUCAXPAO-NSHDSACASA-N 361.406 -0.851 30 20 FBED N#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1331722415 NTXSQXPFZHYTQG-UHFFFAOYSA-N 364.427 -0.337 30 20 FBED CCNC(=O)CN1CCN(c2nnc(-c3cc(C#N)cn3C)n2C)CC1 1338345627 LOAKJKDGHBGFKD-UHFFFAOYSA-N 356.434 -0.050 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C 1343310190 GLVDDOISFMDHQN-ZDUSSCGKSA-N 359.492 -0.060 30 20 FBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1348240976 WRVRWAVTUXPLDI-ZDUSSCGKSA-N 370.413 -0.709 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1348650401 GHOHPIDAXLDPPB-MRXNPFEDSA-N 371.441 -0.827 30 20 FBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)CCO1 1349336386 MUEVUWRLFSFFHC-HOTGVXAUSA-N 370.409 -0.098 30 20 FBED C#CCCN1CC(N2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2=O)C1 1573282062 FJCXGJXPFWVDNX-GFCCVEGCSA-N 368.401 -0.767 30 20 FBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1573286077 SXAGVFRCZZYNKZ-RYUDHWBXSA-N 356.390 -0.268 30 20 FBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573567631 PPECJFWGRMPDKG-BONVTDFDSA-N 357.378 -0.996 30 20 FBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 1573581972 BBZQWIWHPVJIOB-MNOVXSKESA-N 372.389 -0.298 30 20 FBED CN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)c1ccc(C#N)[nH]1 1579196831 LHSLUAXYMCEXLS-UHFFFAOYSA-N 353.346 -0.103 30 20 FBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(F)c1 1581877961 QQOFANMHVVRISN-SNVBAGLBSA-N 371.336 -0.197 30 20 FBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588355903 PCNWPFMTRQEPAE-NWDGAFQWSA-N 358.406 -0.186 30 20 FBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1588358324 VXOPDFALFHOXQB-VXGBXAGGSA-N 372.389 -0.984 30 20 FBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588362132 WOWKGBPRRPZGPS-NSHDSACASA-N 359.390 -0.141 30 20 FBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588659690 PZKLYZVTMMGCBR-LBPRGKRZSA-N 358.406 -0.357 30 20 FBED Cc1cccc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1C#N 1592239367 FJCQORCLEYLBNE-UHFFFAOYSA-N 359.375 -0.383 30 20 FBED C#CCO[C@@H](C)C(=O)NCC1=CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1602725060 IURFBQLHQOUCKJ-LBPRGKRZSA-N 368.401 -0.052 30 20 FBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 1602756874 ZFWUIPPRLVYVBN-ZDUSSCGKSA-N 373.421 -0.002 30 20 FBED C#CCOCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1609021088 CHYBOFRDCXMTLW-UHFFFAOYSA-N 358.406 -0.403 30 20 FBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC(=O)O 1610105035 QAAWHIQELBLQPZ-UHFFFAOYSA-N 361.401 -0.464 30 20 FBED COC(=O)C1(C#N)CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 1643109777 ASFSUUGGTZVYSB-STQMWFEESA-N 350.419 -0.122 30 20 FBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCN3CCCC3=O)C2)c[nH]1 1682456441 LBYGQYSEYUWXBA-ZIAGYGMSSA-N 359.386 -0.800 30 20 FBED Cn1nncc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1711283241 KFQHXFFFKUNKHN-IAQYHMDHSA-N 359.369 -0.152 30 20 FBED C#CCCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1757177266 GFXKZDKNHXGPRO-IKGGRYGDSA-N 365.474 -0.021 30 20 FBED O=C1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@@H]2O)N1 1757191168 PCOHTQRNEWJOFD-BBWFWOEESA-N 369.421 -0.215 30 20 FBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 1757204133 SQFWDDJJJHFNBP-HIFRSBDPSA-N 360.414 -0.498 30 20 FBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1781266821 AABGKOJSLVOPTF-GOSISDBHSA-N 367.446 -0.113 30 20 FBED CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786823319 BCZFEPHNNSFMCP-PYXYIPKBSA-N 365.430 -0.573 30 20 FBED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787422616 KIISIQINIVEKEG-PEDHHIEDSA-N 358.508 -0.794 30 20 FBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)CC1 1795408344 VSQWCONSYZSAQN-GNXNZQSNSA-N 357.370 -0.311 30 20 FBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808225589 UKAGYUUWWQFPNE-MPGHIAIKSA-N 368.393 -0.297 30 20 FBED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812622889 KSUSJAMGABGQQS-KSSFIOAISA-N 372.381 -0.689 30 20 FBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830513654 TXHXBQJSIJLSAH-RVKKMQEKSA-N 368.430 -0.748 30 20 FBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836029176 XGRFNHKXFYLHHQ-QGZVFWFLSA-N 364.402 -0.047 30 20 FBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CCC1)CCO2 1840849060 DFIMFHNYXOMRFH-SFHVURJKSA-N 364.398 -0.279 30 20 FBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@H](N)C(N)=O 1847812678 KPUALKAACFEQMS-RFGFWPKPSA-N 352.435 -0.628 30 20 FBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 27959716 KPFMEJHTUMROJC-JTQLQIEISA-N 364.354 -0.137 30 20 FBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CCS(N)(=O)=O)CC1 266875733 SZIIUUISLAOHGF-CYBMUJFWSA-N 365.459 -0.209 30 20 FBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(C)n1 268355204 WVSPLFSQNKIPTF-NSHDSACASA-N 354.374 -0.242 30 20 FBED C=CCS(=O)(=O)CCNC(=O)CNC1=NS(=O)(=O)c2ccccc21 272793820 ADLHGRMRFJGZMO-UHFFFAOYSA-N 371.440 -0.558 30 20 FBED CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 292310039 IMYJKNQXKZERBW-ZDUSSCGKSA-N 369.385 -0.074 30 20 FBED CN/C(=N\CCCN1CCC[C@@H]1C(=O)N(C)C)NCCN1CCOCC1 303975745 JKJBGLUBXKGVPE-MRXNPFEDSA-N 368.526 -0.574 30 20 FBED O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CC/C(O)=N/CCN1CCOCC1 329573795 ALBWNUXOKNQPJM-GBOPCIDUSA-N 351.403 -0.172 30 20 FBED C=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@@H](c2cnn(C)c2)C1 374606220 RZYAIKSJMIQDPR-MRXNPFEDSA-N 360.462 -0.317 30 20 FBED COCCCS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 431183124 WRTSYSVPIJLUMB-CQSZACIVSA-N 360.480 -0.269 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nccc(N)n1 433054361 SFIICKNMMDPBCY-JTQLQIEISA-N 360.399 -0.086 30 20 FBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn([C@H](C)COC)n2)C1=O 440274618 QKAGOVSSOZOFDN-OLZOCXBDSA-N 363.418 0.274 30 20 FBED Cc1nccnc1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 499656329 RLMLXZCPBLIXOR-ZDUSSCGKSA-N 352.420 -0.624 30 20 FBED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)s1 567065430 XVOMNXVOCCKUTL-NSHDSACASA-N 359.429 -0.228 30 20 FBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 572644566 PFWZBYSKZMULIC-ZIAGYGMSSA-N 360.418 -0.062 30 20 FBED 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C=C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1322344401 CZTSZOKAZFDLSA-AWEZNQCLSA-N 372.491 -0.753 30 20 FBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)c1ccccc1F)[C@H]1CCCO1 1323875293 AAOSFQAGMGTPCJ-LSDHHAIUSA-N 361.373 -0.031 30 20 FBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1325225316 UFQUQSXGTQHSLL-ZDUSSCGKSA-N 370.413 -0.709 30 20 FBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 1327353481 NXLBVXHDIDHLRS-NSHDSACASA-N 363.447 -0.079 30 20 FBED Cn1nccc1[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1335629400 IWAHHRGBCSCSNS-ZBFHGGJFSA-N 372.429 -0.481 30 20 FBED C#CCC(C)(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC=C 1338690221 GCQHPRQMNKMHSK-ZDUSSCGKSA-N 356.430 -0.088 30 20 FBED C=CCn1c(CS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 1340560665 ZWQBAOFTSRFYAZ-UHFFFAOYSA-N 357.436 -0.696 30 20 FBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1345857630 IZIWFEKVSJPOQG-UHFFFAOYSA-N 373.500 -0.647 30 20 FBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 1349227823 MCMMSNPFFCDGNX-YVEFUNNKSA-N 361.377 -0.207 30 20 FBED C#CCOCCn1nnnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 1352527702 NACNIJUPFGDNEP-UHFFFAOYSA-N 371.467 -0.969 30 20 FBED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1554367157 JLTAVDCZPNREOH-UHFFFAOYSA-N 363.385 -0.070 30 20 FBED C#CCCNCc1cn(C2CN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)nn1 1574894869 JLSJDRFGBUYVME-GFCCVEGCSA-N 358.406 -0.502 30 20 FBED CC#CCCCC(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575117173 HBHQMMBPAVVDGK-WRSAYESZSA-N 372.429 -0.280 30 20 FBED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N)COC1 1578142263 QHRUSNVQYQEBEU-CQSZACIVSA-N 361.450 -0.281 30 20 FBED CN(CCS(N)(=O)=O)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1579230205 ZWEUSFZZJSHODZ-GFCCVEGCSA-N 363.403 -0.704 30 20 FBED COc1ccc(S(=O)(=O)N2CCNC[C@@H]2C#N)cc1C(=O)N(C)C 1579234631 PYWLSCCXKPLKRN-NSHDSACASA-N 352.416 -0.117 30 20 FBED CS(=O)(=O)NC[C@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1580166555 ZEWUCNCYOFZJJQ-SECBINFHSA-N 363.407 -0.706 30 20 FBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[nH]n1 1588362320 ZTDRSXZYGJVSIC-CYBMUJFWSA-N 371.401 -0.377 30 20 FBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1588410261 RKILZZUGYJTJCC-OAHLLOKOSA-N 352.435 -0.488 30 20 FBED C=C1CCC(C(=O)NC[C@H](CO)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588461134 KHOMFERIJDPWLB-GFCCVEGCSA-N 358.406 -0.286 30 20 FBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1589386684 BDPLYKMCVRZPFA-KRWDZBQOSA-N 370.417 -0.236 30 20 FBED O=C(O)C1=NO[C@]2(CCN(C(=O)C(=O)NCC#Cc3ccccc3)C2)C1 1601739640 PSBBALXNDLTFMQ-GOSISDBHSA-N 355.350 -0.014 30 20 FBED C#CCN(CC(=O)O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1602685845 HIKGTUTUHMAYEP-QGZVFWFLSA-N 358.354 -0.029 30 20 FBED C#CCN(C(=O)Nc1cccc(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 1602714160 LHRPHOJHBAGENN-JTQLQIEISA-N 361.387 -0.084 30 20 FBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC2(CNC(=O)O2)C1 1606336454 AVMWAEIZBAUJHO-LBPRGKRZSA-N 353.342 -0.130 30 20 FBED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1611124784 PGJLPSJOXZYVMS-KBPBESRZSA-N 352.416 -0.578 30 20 FBED C[C@H](NC(=O)c1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1633546379 XAYUKGJGCIUTQA-NSHDSACASA-N 355.354 -0.245 30 20 FBED COC(=O)C1(C#N)CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 1643109776 ASFSUUGGTZVYSB-QWHCGFSZSA-N 350.419 -0.122 30 20 FBED C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)CN(C)C(=O)C3CC3)[C@@H]2C1 1756960748 TVXMCLQRINWNIU-JKSUJKDBSA-N 361.442 -0.046 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CNC(=O)CCC)C[C@H]2O)nc1 1757019865 JFGARJRYUJSVBX-HUUCEWRRSA-N 358.398 -0.719 30 20 FBED CCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561557 ZEHKXJBVWLFHFV-KRWDZBQOSA-N 360.370 -0.566 30 20 FBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)n1ccnn1 1800263880 QPSOSGFIRIMGMY-JJAZEVLHSA-N 357.414 -0.158 30 20 FBED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)COC1 1834767751 XGXFZVNARVQZAW-QGZVFWFLSA-N 351.403 -0.217 30 20 FBED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835523279 KJBIJEQKZNXJCN-GUYCJALGSA-N 350.419 -0.659 30 20 FBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835692296 ZORMOETTXVSXGW-BEFAXECRSA-N 372.425 -0.028 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837839455 HXUUQLGZHITPAM-MRXNPFEDSA-N 364.789 -0.167 30 20 FBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OCC#C)C2)C1 1840840734 JNQBCWPDEJHHFR-VQIMIIECSA-N 362.426 -0.106 30 20 FBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841562074 WOWFENBLOATUAG-UHFFFAOYSA-N 351.403 -0.165 30 20 FBED Cn1c(N)c(C(=O)COC(=O)CCc2ccc(C#N)cc2)c(=O)n(C)c1=O 12954177 RGBMFOKPHKBERA-UHFFFAOYSA-N 370.365 -0.103 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCO)CC3)CC2)o1 97286773 ZTSXEZMZASSPLH-UHFFFAOYSA-N 362.434 -0.887 30 20 FBED C/N=C(/NC[C@@]1(O)CCSC1)N1CCN(c2cnn(C)c2)C(=O)C1 261788036 QPLYXIBJPFTVBF-HNNXBMFYSA-N 352.464 -0.488 30 20 FBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O 269612961 RYKJOJUGPYVVKX-JOYOIKCWSA-N 364.383 -0.854 30 20 FBED C=CCNC(=O)CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 271949233 BJCCQVWCWHKHIC-SFHVURJKSA-N 356.382 -0.202 30 20 FBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)NC)C2)c1 272801790 KVKWKLHJJIKICA-CQSZACIVSA-N 367.427 -0.262 30 20 FBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 277024062 BSPPNDQOIQXRAN-UHFFFAOYSA-N 367.431 -0.246 30 20 FBED C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)c1ccc(C#N)cc1 284025291 OMNMYHVBGYFVIM-WMLDXEAASA-N 374.441 -0.113 30 20 FBED C#CCSCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 287142412 DTFBHVMBDOESIR-SDBHATRESA-N 365.415 -0.784 30 20 FBED O=c1nc(O)ccn1C/C(O)=N/CCS(=O)(=O)N1CCSCC1 328767535 FQINVHCKGQJVEG-UHFFFAOYSA-N 362.433 -0.716 30 20 FBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 333165389 IERLUTVVEICFOB-CABCVRRESA-N 352.435 -0.484 30 20 FBED CC(C)C1(O)CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349479965 WFTKZFQMDJSQBQ-NSHDSACASA-N 353.466 -0.760 30 20 FBED C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 349592498 OBSBIUIOKIGZAE-SECBINFHSA-N 350.422 -0.192 30 20 FBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 409514199 APLOQMKJXIBDHM-NSHDSACASA-N 361.449 -0.714 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2noc(C)n2)CC1 410133192 GTDQNCPRNKVHKO-UHFFFAOYSA-N 372.451 -0.398 30 20 FBED CCc1nsc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 410140966 CZTJKLXABHRKJU-NSHDSACASA-N 372.476 -0.308 30 20 FBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CNC(=O)C3)CC2)cc1 422501269 FWDCUPRIVBVGFR-INIZCTEOSA-N 369.425 -0.545 30 20 FBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 430396221 SMSBGQUUMLVDKR-GOEBONIOSA-N 366.462 -0.636 30 20 FBED COC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 433959412 ADFIIZIYTJDYJW-QGZVFWFLSA-N 360.418 -0.050 30 20 FBED CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 440340721 JEUDIIAUBLLAOR-UHFFFAOYSA-N 367.387 -0.481 30 20 FBED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCNC1=O 442249664 AOGNQEGMXKMCBS-CYBMUJFWSA-N 370.344 0.168 30 20 FBED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 444590260 LRHUEFUQLOWZCJ-AWEZNQCLSA-N 362.434 0.208 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](COC)(C(=O)OC)C1 451762054 QBCSPACJDAARGE-AWEZNQCLSA-N 363.436 -0.395 30 20 FBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 452053309 OQHXRTKFBZHYTO-QWHCGFSZSA-N 362.434 -0.033 30 20 FBED C=C(CC)CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 455528117 WTHQKCFISRIWCQ-UHFFFAOYSA-N 359.496 -0.228 30 20 FBED CN(CC(=O)N1CC[C@@](C)(C(N)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 478549728 DYBPKLIZUOTWLZ-MRXNPFEDSA-N 364.427 -0.097 30 20 FBED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cccc(C#N)c2)CC1 528538357 ZKCNOXNFORSSOZ-UHFFFAOYSA-N 364.427 -0.083 30 20 FBED COCCN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCS(=O)(=O)C1 534831981 LRTWAQQPTLGFCY-CQSZACIVSA-N 356.448 -0.222 30 20 FBED C=CCN1CCC(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 553672086 KIXSDYHIJYPPST-UHFFFAOYSA-N 353.511 -0.295 30 20 FBED C[C@@](O)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)CN1CCOCC1 555771522 YCYYXIONZIBZGP-LJQANCHMSA-N 372.425 -0.353 30 20 FBED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 592304747 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CCCn1nccc1NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594567 QKCKDPGFBWQYKL-CABCVRRESA-N 359.430 -0.194 30 20 FBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1219932662 SSVOHVLUFQGGTK-WBVHZDCISA-N 355.398 -0.308 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(F)ccc2OC)C1 1220103701 CSSIZRPIRIORTN-KGLIPLIRSA-N 351.378 -0.089 30 20 FBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1O 1220147680 HXLOZHCRRRUKGY-ILXRZTDVSA-N 361.446 -0.101 30 20 FBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1O 1220186119 ZCXFZZKVJKQJDA-KGLIPLIRSA-N 366.462 -0.034 30 20 FBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 1220418545 TUMAFWXZUAKAAT-OLZOCXBDSA-N 368.796 -0.177 30 20 FBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2sc(CC)nc2C)C1 1220532857 WUHNAJAYQPMQNP-XQQFMLRXSA-N 364.471 -0.073 30 20 FBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCOc3ccccc32)C1 1220558406 YDASJCIATQVWEL-XHSDSOJGSA-N 357.410 -0.537 30 20 FBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 1220618538 XDNOOEOMCCBMTO-CVEARBPZSA-N 370.413 -0.656 30 20 FBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1220875563 PWCQWNKEUWYZSI-KGLIPLIRSA-N 362.434 -0.491 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCn4cncc4C3)[C@@H]2C1 1221652428 QWRNRUPAVXCVSP-ZMSDIMECSA-N 355.442 -0.272 30 20 FBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1223229374 RWLKVPKTBXLJIY-IJEWVQPXSA-N 362.474 -0.133 30 20 FBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C[C@@H]21 1223856093 FDSYPNBWCQWNLL-XHSDSOJGSA-N 360.458 -0.473 30 20 FBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCO)CCN1CCOCC1 1253672372 ZRMBKVVKKLGJIM-WUKNDPDISA-N 366.418 -0.944 30 20 FBED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1321606724 PGIXQFWHUYOIDF-GFCCVEGCSA-N 351.384 -0.079 30 20 FBED C#CCOCCNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1 1322099768 OIAMMEACVOVFKN-UHFFFAOYSA-N 352.412 -0.516 30 20 FBED C[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1(=O)=O 1324100803 JQOWJTMMXWFITE-SAMXCDQMSA-N 355.416 -0.063 30 20 FBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 1324769014 GFNWUVSPUGXYHP-INIZCTEOSA-N 351.382 -0.189 30 20 FBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1327054176 DARUZEZXSXCKQG-HZMBPMFUSA-N 357.436 -0.367 30 20 FBED C=CCOCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1327819107 SNPXFBRJSZGXMT-IGQOVBAYSA-N 361.398 -0.772 30 20 FBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 1328439349 YSRCKOQIONZMBY-CYBMUJFWSA-N 359.386 -0.290 30 20 FBED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)C1 1329132250 GMXXMLLTSBMFSB-UHFFFAOYSA-N 352.372 -0.713 30 20 FBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1334167945 YFRLMIFINXPIPF-QWHCGFSZSA-N 356.448 -0.321 30 20 FBED N#C[C@@H]1CN(C(=O)C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CCO1 1335072731 DQHJOMGSUQWLNY-SNVBAGLBSA-N 357.292 -0.005 30 20 FBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](C(=O)OC)C1 1520361841 WTXVXFBPRUDZDS-KGLIPLIRSA-N 365.434 -0.201 30 20 FBED N#Cc1cnc(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cn1 1581877817 LBSMUKUGIMMCNO-UHFFFAOYSA-N 350.346 -0.181 30 20 FBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)cc1 1588368911 ZYFSEVASJMTRLI-CYBMUJFWSA-N 364.369 -0.159 30 20 FBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588476501 WLEDWZYIRZOSKV-INIZCTEOSA-N 358.406 -0.074 30 20 FBED COCC#CCNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1591362467 VTVHDZYEEWCWIJ-AWEZNQCLSA-N 373.417 -0.335 30 20 FBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)cc1F 1601107064 QOBVSVQYPZECSS-GFCCVEGCSA-N 362.317 -0.172 30 20 FBED C#CCOCCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1602727273 MJBLATWFAVEYHT-LBPRGKRZSA-N 372.389 -0.664 30 20 FBED C=CCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)nn1 1602882234 CUFNGFFYQMEBKF-UHFFFAOYSA-N 357.382 -0.346 30 20 FBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 1618361554 SXIKNDOLMZTXSC-BZUAXINKSA-N 363.462 -0.732 30 20 FBED Cn1nncc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1711283240 KFQHXFFFKUNKHN-ABAIWWIYSA-N 359.369 -0.152 30 20 FBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](C)C1 1757093218 MXQBVBZMLHLWBC-YRGRVCCFSA-N 356.386 -0.261 30 20 FBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1O 1757169361 XKWXCZZIBISCCB-KGLIPLIRSA-N 360.414 -0.544 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@@H]1O 1757174183 VNSKVRJBFSXWGI-OAGGEKHMSA-N 365.430 -0.815 30 20 FBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041461 DNSMBDUAFXPAHE-QGZVFWFLSA-N 366.487 -0.286 30 20 FBED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1786201892 SKYNABYYSMOWOO-OBJOEFQTSA-N 360.370 -0.899 30 20 FBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788006280 QDHRPSGJPUMQNQ-YDHLFZDLSA-N 353.382 -0.044 30 20 FBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1791263894 QZQYKMWRVRLNKF-QMVSFRDZSA-N 369.487 -0.095 30 20 FBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957968 ZOSHCYSLEKVFNG-JLVBRIDZSA-N 372.425 -0.023 30 20 FBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1 1794680772 LAQTVJJFCNFAJO-JGPRNRPPSA-N 372.337 -0.485 30 20 FBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)CC1 1795411128 UPGHAONKMQWOTG-GNXNZQSNSA-N 373.417 -0.787 30 20 FBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796022493 GJMJOFLERUAGBF-XQLPTFJDSA-N 361.446 -0.497 30 20 FBED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801976860 LYABIEQJTYAMGL-DABQJJPHSA-N 358.402 -0.288 30 20 FBED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813473578 WFSPJDZCTHWZGO-BJJXKVORSA-N 353.386 -0.032 30 20 FBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840161761 AABRBHOKNXROEH-LRDDRELGSA-N 366.443 -0.135 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840492988 ONPKANBBNWWYNG-RDTXWAMCSA-N 360.414 -0.158 30 20 FBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)Cc2noc(C)n2)C1 1842027694 JNVKESTZNAOVOU-WAYWQWQTSA-N 373.413 -0.018 30 20 FBED N#Cc1ccccc1OCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43058257 ZGJSOENQWAXYDZ-ZDUSSCGKSA-N 365.411 -0.253 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CS(C)(=O)=O)c1 264972122 PKELVWANCSGLCD-NSHDSACASA-N 358.441 -0.239 30 20 FBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCO[C@H]2C)c1 279590032 UZMNOFAUOBFXQM-LRDDRELGSA-N 352.412 -0.132 30 20 FBED C#CCNc1nc(N[C@H](CCO)COC)nc(N[C@H](CCO)COC)n1 290738136 GWHWUWHUAWBDII-CHWSQXEVSA-N 368.438 -0.465 30 20 FBED CC/N=C(/O)N1CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 329175281 BMJRELGIGSIMGO-UHFFFAOYSA-N 367.493 -0.308 30 20 FBED C[C@H](/C(O)=N/C[C@@H]1CN(C)CCO1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329915395 YHVUKIGKIFRPKT-UQPQVDFHSA-N 351.403 -0.176 30 20 FBED N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCOC2)c1 349499253 BSQVNMSEUDNCRO-UHFFFAOYSA-N 374.444 -0.101 30 20 FBED CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409600570 VQOLAQOFIQPBND-NWDGAFQWSA-N 362.477 -0.303 30 20 FBED CN(C)c1noc([C@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)n1 410425682 LOBHKNBMHNBRLI-NWDGAFQWSA-N 370.435 -0.216 30 20 FBED N#Cc1nc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[nH]c1C#N 438954915 BBXJMIBQZAKUKN-WFFHOREQSA-N 354.326 -0.356 30 20 FBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)n2)c(F)c1 442253447 HGUXQCHZAFFLKL-NWDGAFQWSA-N 373.344 -0.224 30 20 FBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)C(=O)OC)c1 460113032 RQIJNWHMKNQQEJ-HNNXBMFYSA-N 356.400 -0.195 30 20 FBED Cn1ncc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1C#N 474901502 KABMPTLMFQEIKF-UHFFFAOYSA-N 366.381 -0.206 30 20 FBED COC(=O)Cn1cc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)nn1 489694962 IWPTZFWJRAKHPW-UHFFFAOYSA-N 350.360 -0.495 30 20 FBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 515072552 BLDNRWFOKHJTIR-STQMWFEESA-N 372.429 -0.176 30 20 FBED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 558525686 AIJZYZHVWIREJF-QGZVFWFLSA-N 372.385 -0.019 30 20 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C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)Cc3cc(C)[nH]n3)C[C@H]2O)c1 1025552407 XIVDJBPUUMAJCW-HZPDHXFCSA-N 353.382 -0.361 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1O 1025710158 ALFYKAXMVGJXHI-LPWJVIDDSA-N 363.370 -0.729 30 20 FBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1=O 1031871476 CBKNZJIXXQOALM-LUKYLMHMSA-N 363.458 -0.127 30 20 FBED CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1040921900 FPMYVQUONWBHGE-IYOUNJFTSA-N 365.430 -0.708 30 20 FBED CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)C1 1041163281 ZZGJOACHAHAEEE-IIDMSEBBSA-N 357.414 -0.123 30 20 FBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 1041290060 NOXCYIAKEIWONF-FRRDWIJNSA-N 358.402 -0.803 30 20 FBED Cn1cnc2ccc(C(=O)N[C@@H]3CN(c4ccc(C#N)nn4)C[C@H]3O)nc21 1041346342 FRMBKPCPCGEGLR-ZIAGYGMSSA-N 364.369 -0.391 30 20 FBED Cc1nn(CC(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)c(=O)n1C 1042118438 ZTEKPKORIDRFDV-ZWNOBZJWSA-N 356.390 -0.807 30 20 FBED 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C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 563568893 NZUVTAYTGUUMBS-GDBMZVCRSA-N 364.446 -0.884 30 20 FBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)O 571894025 DJRYKOKNILOCLX-QWRGUYRKSA-N 361.445 -0.074 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](n3cncn3)C2)c1 589490876 IKRQPPWLBIGOOV-ZDUSSCGKSA-N 360.399 -0.098 30 20 FBED CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2C1=O 592304142 DKGBCBWFMULCQQ-KRWDZBQOSA-N 356.338 -0.272 30 20 FBED CC(C)C(=O)NCCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599017567 ZXXYDYWXULRDNZ-UHFFFAOYSA-N 362.390 -0.451 30 20 FBED C=C[C@](C)(O)C(=O)N1CCN(C(=O)CCNC(=O)[C@](C)(O)C=C)CC1 613128472 OQBHWTRTLNKHJO-SJORKVTESA-N 353.419 -0.963 30 20 FBED C[C@H](CS(C)(=O)=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733246884 SVWDHZKRVOXVDA-SECBINFHSA-N 359.429 -0.726 30 20 FBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680032 KOMXXHKFZXYLKP-VXGBXAGGSA-N 363.395 -0.094 30 20 FBED Cn1cc(S(=O)(=O)NN=C2CCc3c(O)cccc32)c(=O)n(C)c1=O 771890246 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C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823931670 CVRYAXVSISULLV-UHFFFAOYSA-N 357.417 -0.254 30 20 FBED C=CCS(=O)(=O)CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1 823931807 FSZFWFLODHSHEK-UHFFFAOYSA-N 351.388 -0.038 30 20 FBED N#Cc1cccc(S(=O)(=O)NC(=O)Cn2nc3n(c2=O)CCCC3)c1 845438743 UUMYVCSFYOODII-UHFFFAOYSA-N 361.383 -0.242 30 20 FBED O=C(CCC(=O)N[C@H]1CCCN(O)C1=O)Nc1ccc2nc(O)[nH]c2n1 848135510 NOXUZBAFWGSQDH-VIFPVBQESA-N 362.346 -0.121 30 20 FBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cn1 848967101 PRGAHTMLNYSPAC-UHFFFAOYSA-N 352.825 -0.186 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1=O 855511830 IIHOZANQPWNALH-SNVBAGLBSA-N 350.331 -0.984 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 905516110 BWYKFAWLPHHJQS-GJZGRUSLSA-N 365.430 -0.503 30 20 FBED N#Cc1cccc(S(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)c1 916808933 DGFWYHVPGWOOIY-UHFFFAOYSA-N 350.356 -0.305 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 940379044 GYIYBAPWCSALCP-DBIOUOCHSA-N 363.374 -0.549 30 20 FBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)C3CC(OC)C3)[C@H](OC)C2)nn1 942179949 MTOVBULEAWMRIZ-UJFKTDLFSA-N 363.418 -0.155 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1OC 942516752 SQVZRLHLPRYHFO-QLFBSQMISA-N 359.430 -0.229 30 20 FBED Cc1nonc1CC(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 960883871 SBSZSGKLHKDQLR-LSDHHAIUSA-N 370.369 -0.128 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C3=COCCC3)C[C@@H]2O)nn1 964300028 QBUJOAVNWBPJNR-HIFRSBDPSA-N 361.402 -0.150 30 20 FBED C#Cc1ccc(C(=O)N2CC3(C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)CO3)C2)cc1 965809817 OELSBVCXPFFJOH-OAGGEKHMSA-N 367.405 -0.111 30 20 FBED N#Cc1ccc(C(=O)N2CC3(C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)CO3)C2)[nH]1 965821220 ZSTYTWYIHZDOFV-UTUOFQBUSA-N 357.370 -0.893 30 20 FBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1O 967176368 QZBWLZMYJPDCRH-GUTXKFCHSA-N 360.414 -0.546 30 20 FBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]2O)CC1 970336342 KHESISMAZUURSZ-CABCVRRESA-N 360.414 -0.172 30 20 FBED Cc1cn2ccnc(C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3O)c2n1 970588065 DEJGGVSTKQBVSJ-KGLIPLIRSA-N 353.382 -0.247 30 20 FBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](c2cnn(C)c2)C1 982416214 GWMPDOMKOWVHEJ-UHOFOFEASA-N 368.397 -0.062 30 20 FBED C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 983818732 MLJPSMMWPSAQOK-RISCZKNCSA-N 356.390 -0.070 30 20 FBED C=CCN1CC[C@@H](NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1=O 984819982 IXBLZHHJPHUGCN-RFBLXINOSA-N 362.474 -0.018 30 20 FBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCCOC1 990834760 LNQQDNZSRWAQFT-OAGGEKHMSA-N 357.414 -0.014 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnnn1 997770541 ZFYDTDJIWLQBHY-UGUYLWEFSA-N 371.445 -0.591 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2COCCN2C)C1 1002216868 YVMNWDWDYOEEFW-OAGGEKHMSA-N 351.447 -0.127 30 20 FBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCOCC2=O)c1 1003510262 AEPPHTPEVNBEFZ-NFAWXSAZSA-N 371.397 -0.393 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnc2O)C1 1006167771 XEHJDSIGDAQYHC-WHOFXGATSA-N 363.418 -0.072 30 20 FBED C=CCOc1ccc(CC(=O)N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2O)cc1 1024266282 CTKLALREHIVTGQ-HZPDHXFCSA-N 371.397 -0.086 30 20 FBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@H]1O 1024360656 PAIRJXFFTHDSIJ-FGTMMUONSA-N 370.453 -0.282 30 20 FBED CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2O)n1 1024436396 DKFQHRVLJWIYDL-CHWSQXEVSA-N 357.374 -0.579 30 20 FBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1024889732 FLYNFATWYWWHDE-RHSMWYFYSA-N 370.409 -0.012 30 20 FBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1024931085 FZOBKUGMFJFSEY-QLFBSQMISA-N 359.386 -0.801 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1O 1025712137 FPTJQZVNXFQONI-JHEVNIALSA-N 368.821 -0.034 30 20 FBED N#Cc1cccnc1N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 1039605063 IEQXTTAZXCESBA-UPJWGTAASA-N 368.357 -0.483 30 20 FBED CN1CCO[C@@H](C(=O)N[C@@H]2CN(c3snc(Cl)c3C#N)C[C@H]2O)C1 1040972128 IXEZXMYHWZAVLG-GMTAPVOTSA-N 371.850 -0.336 30 20 FBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cccn4c(O)nnc34)C2)nn1 1041104636 DJFGFYCKXSFJSL-VXGBXAGGSA-N 366.341 -0.924 30 20 FBED Cn1ncc2cc(C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)C[C@H]3O)cnc21 1041147831 QJDGVSRVJONMPQ-CHWSQXEVSA-N 364.369 -0.391 30 20 FBED Cc1nc2ccnn2cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041152156 AMZSGNIBUYXVOF-ZIAGYGMSSA-N 364.369 -0.321 30 20 FBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2O)nn1 1041380231 VKYGDKBEXVGWRF-ZYHUDNBSSA-N 369.389 -0.880 30 20 FBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 1042310039 RXOXICYWPIVAPD-UKRRQHHQSA-N 356.430 -0.332 30 20 FBED CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1042962633 NKMYEGWKYBGVRU-IJLUTSLNSA-N 364.793 -0.392 30 20 FBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1nnc(O)nc1O 1043027064 YQBGYDPEMNKJCW-MWLCHTKSSA-N 357.330 -0.817 30 20 FBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1043222056 DKUYDEQYZRTUQA-WFASDCNBSA-N 363.418 -0.592 30 20 FBED N#Cc1c(F)cccc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CNC(=O)N1 1043790453 WMZMGEPPKNIGKF-AEGPPILISA-N 359.361 -0.205 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCc4c[nH]nc4C3)C2)cn1 1043979457 JNWGMNGNKMNMKQ-KMUNFCNLSA-N 353.386 -0.458 30 20 FBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnc4[nH]cnc4c3)C2)cn1 1044234294 ARNLAYBJYKTNTK-OLZOCXBDSA-N 350.342 -0.401 30 20 FBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cn4cccnc4n3)C2)n1 1044795128 IKGPVYWGWCHQFQ-YPMHNXCESA-N 350.342 -0.630 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2nn(CC)nc2C)C1 1046828342 OFRPOALGWFXLGC-OLZOCXBDSA-N 363.418 -0.499 30 20 FBED CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN1c1ncccc1C#N 1048786109 LDHGBACYGOZPLY-QWHCGFSZSA-N 356.386 -0.021 30 20 FBED N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)c3nnc(O)nc3O)C2)cn1 1055592814 IUDSFCBIPWHWGK-FVMDXXJSSA-N 368.357 -0.267 30 20 FBED 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CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300225 SCIPZUBTKXVQSE-XKYMITNMSA-N 366.418 -0.193 30 20 FBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846195792 DJSPLISDFRFSTI-VHWUNXFSSA-N 363.370 -0.193 30 20 FBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ccc(=O)[nH]c1=O 47011121 LICAOCYGMKKNBB-UHFFFAOYSA-N 355.398 -0.001 30 20 FBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 268493769 SUGVDCQEHADYIT-FZMZJTMJSA-N 363.345 -0.075 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)N(C)C 268828279 RIACYXOUVOAUJO-GHMZBOCLSA-N 352.416 -0.182 30 20 FBED N#Cc1ccsc1N1CC[C@H](N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1=O 268957318 VSOKFCZWWSQQRM-NEPJUHHUSA-N 359.411 -0.632 30 20 FBED N#Cc1ccc(NC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 271112528 MMFCSWXPVQDJJK-LSDHHAIUSA-N 364.427 -0.134 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)NC)C2)cc1 272750444 DONWCULYXOAQDA-CQSZACIVSA-N 365.411 -0.815 30 20 FBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 273004759 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CC(C)(O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 519001146 RCQXKUHMUNBYHA-UHFFFAOYSA-N 361.445 -0.072 30 20 FBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CCOC)CCOC 522973394 VURVZIOBQDDOPW-ZDUSSCGKSA-N 370.493 -0.499 30 20 FBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 582975137 HTSIZXVCLVTAHC-NSHDSACASA-N 361.449 -0.355 30 20 FBED C[C@@H]1C(=O)N(C)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589491513 ONAIJDCIDKPPGZ-LLVKDONJSA-N 350.400 -0.474 30 20 FBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4)CC2)c1 591582842 IXGIQKSRXNKXQW-CVEARBPZSA-N 368.441 -0.045 30 20 FBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CNC4)n2)cc1 596129837 YQPBFZOTHQJGFH-GJZGRUSLSA-N 365.397 0.099 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCC2=NNC(=O)C2)cc1 597666305 YFGMUBPVBCVAHA-UHFFFAOYSA-N 363.399 -0.391 30 20 FBED Cn1cccc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 603863961 ZUKIFIUSGIINDD-UHFFFAOYSA-N 356.386 -0.743 30 20 FBED CN(CC(=O)NC[C@H](O)[C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1 609927424 YVOHADWOVVUARS-ZFWWWQNUSA-N 367.427 -0.308 30 20 FBED C=CCn1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nn1 648761595 KQTNQKPATZQUIK-UHFFFAOYSA-N 370.417 -0.277 30 20 FBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@@H](C(N)=O)C2)C1=O 725772277 RWHJSDLQXIYXHG-DYVFJYSZSA-N 357.370 -0.531 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)C(C)C)CC1 728530421 DMLPRAPOBGADKO-INIZCTEOSA-N 362.474 -0.083 30 20 FBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(C(=O)O)C1 739309199 PEVBQCOMBSSSHQ-JTQLQIEISA-N 366.399 -0.016 30 20 FBED Cc1cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c1C#N 743931866 IOQCWJXWFKTARA-UHFFFAOYSA-N 353.400 -0.017 30 20 FBED O=C(O)[C@@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 767057756 DTSXJIRLKLESCY-JTQLQIEISA-N 353.356 -0.963 30 20 FBED CCOC(=O)CON=C(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1cc[nH]n1 772360159 XGZHMIDTVUOQRK-GFCCVEGCSA-N 353.379 -0.290 30 20 FBED N#CC1(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCC1 784195127 CSJZRDQLIMJYGM-GVARAGBVSA-N 357.366 -0.101 30 20 FBED N#Cc1cc(COC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)ccn1 786196670 HKJCLGFTUOCZDN-UHFFFAOYSA-N 364.339 -0.333 30 20 FBED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cn1 794593993 HCBQCTZSWAKITB-LBPRGKRZSA-N 358.423 -0.321 30 20 FBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCNc1ncccc1C#N 803117601 FPHNEDLKXYBDEJ-GFCCVEGCSA-N 358.402 -0.392 30 20 FBED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 810495635 NASRMNFXNFIRBZ-UHFFFAOYSA-N 353.400 -0.355 30 20 FBED CC(C)S(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811557084 WRXJUSIUHAYTPG-UHFFFAOYSA-N 373.456 -0.224 30 20 FBED N#Cc1cscc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 814611805 CAWZICJRVYTBTC-VIFPVBQESA-N 371.396 -0.211 30 20 FBED C[C@@H]1C[C@@H](C(=O)O)CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883579 SBEJXHHDBMPHMF-BDAKNGLRSA-N 372.403 -0.761 30 20 FBED N#CCN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 822811032 RGFQPOZPGOWMIV-UHFFFAOYSA-N 369.357 -0.025 30 20 FBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 829238778 MISHZUREIQYMMA-ZDUSSCGKSA-N 363.418 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1OC 946818304 DBYJYBGVYUZENT-YIYPIFLZSA-N 363.418 -0.330 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cn1 957602722 AURMCTJOVCWIEE-QMTMVMCOSA-N 370.409 -0.183 30 20 FBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1CC(N)=O 960849554 PVSPJTZWJDJTOC-VHRBIJSZSA-N 360.370 -0.481 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 962024331 ODSFCXUHKWVHCZ-VLXAULBPSA-N 362.430 -0.434 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCn4nccc43)C[C@@H]2O)c1 962132414 BYOZQJIZLOHQMG-XPKDYRNWSA-N 368.397 -0.038 30 20 FBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]2O)c1 962135394 WGSAGYVRBLZTJA-MAZHCROVSA-N 368.397 -0.353 30 20 FBED CC(=O)N1CC[C@H](C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 962388680 CEWGWXBDWHWPAG-GLQYFDAESA-N 359.386 -0.944 30 20 FBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CN4CCC3CC4)C2)c[nH]1 963887589 FCYNENCDQBWHIM-OAGGEKHMSA-N 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C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 410909382 LLIOQTMPZKCBAK-CYBMUJFWSA-N 361.464 -0.424 30 20 FBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1=O 425615448 ZLLGKUZMTWKGQN-NEPJUHHUSA-N 371.401 -0.284 30 20 FBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC(n3cc(C(N)=O)nn3)C1)CC2 433666184 FWGOZKGDZOFKSC-UHFFFAOYSA-N 365.353 -0.779 30 20 FBED N#CCNC(=O)CNc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 506186203 AFJLUOGOYFZGLF-ZDUSSCGKSA-N 352.416 -0.116 30 20 FBED CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508988539 SNMKAADHTOFYCV-UHFFFAOYSA-N 359.386 -0.233 30 20 FBED CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCCN=c2cncc[nH]2)[nH]1 538078537 CRZPUWHFYWIWJC-UHFFFAOYSA-N 356.390 -0.690 30 20 FBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCn3cccn3)CC2)nc1 551840812 YDGFCNVBUQDBRB-UHFFFAOYSA-N 353.386 -0.385 30 20 FBED C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 563898465 KZFUOCSVXXMUEE-JTQLQIEISA-N 359.429 -0.320 30 20 FBED Cn1c(NCC(=O)NCCN2CCCCCC2)c(C#N)c(=O)n(C)c1=O 574826126 GREVJQKMUALYML-UHFFFAOYSA-N 362.434 -0.640 30 20 FBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(CCO)CCOC2)cc1 576230170 RJSRZAHYDUIRBM-HNNXBMFYSA-N 353.400 -0.506 30 20 FBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c1 576361888 SWOCDUFOCBWREX-DZGCQCFKSA-N 354.428 -0.034 30 20 FBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nnc3n2CCC3)c1 590880584 OGDGWLXHAVMIMW-UHFFFAOYSA-N 360.399 -0.309 30 20 FBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 594634626 WTGQWFOIHMAYPY-WDEREUQCSA-N 359.429 -0.056 30 20 FBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 596786031 YFDIEBDLEHZCLT-JTQLQIEISA-N 358.358 -0.330 30 20 FBED C[C@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H]1CO 598682367 CMJVRYZYICEAKF-RYUDHWBXSA-N 362.434 -0.269 30 20 FBED CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccn(CCC#N)n2)CC1 610326062 USJUGTRGRISHCI-UHFFFAOYSA-N 369.451 -0.505 30 20 FBED NC(=O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 726341981 QGSNITJRJSWUTO-UHFFFAOYSA-N 352.416 -0.113 30 20 FBED C#CCN1CCC[C@H]1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 730106037 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CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 854831191 JJJVSCWOEHEEEX-UHFFFAOYSA-N 371.444 -0.317 30 20 FBED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1 915224356 HWCAGIYPUAPMAB-UHFFFAOYSA-N 360.461 -0.214 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 952064947 PACMFZFTGJRXCO-MCIONIFRSA-N 363.414 -0.263 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CN(CC)CCO2)C1 954423377 YLRDKCLFZRRTIA-OWCLPIDISA-N 351.447 -0.033 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 955335094 NWLSEWLOFRUOHQ-XQLPTFJDSA-N 365.430 -0.330 30 20 FBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)c4ncn(C)n4)C[C@@H]32)cn1 960701998 CKDZZIYQFDZWOG-LSDHHAIUSA-N 366.381 -0.443 30 20 FBED Cc1nn2cccnc2c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963762869 NMJKSJUDBBWFFR-KGLIPLIRSA-N 353.382 -0.247 30 20 FBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]2O)nn1 964298981 GSMHSVJCGCNYHK-OCCSQVGLSA-N 359.390 -0.948 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 979600145 AVYHKTOZUTZWSB-SUJAAXHWSA-N 351.447 -0.081 30 20 FBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 983259284 RHSNOAMRZFKJIZ-NQBHXWOUSA-N 350.375 -0.269 30 20 FBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CCN1C(=O)C#CC1CC1 984938483 ZSMFKRYEFMXAJS-ZNMIVQPWSA-N 367.471 -0.071 30 20 FBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2csnn2)[C@H]2CS(=O)(=O)C[C@H]21 995448735 BRVJLFCHAMACDF-IEBDPFPHSA-N 369.428 -0.852 30 20 FBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC(N)=O)C2)nn1 1000030279 JRVQZUCZDNPUGG-YCPHGPKFSA-N 362.434 -0.392 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C(=O)N2)cn1 1004739695 KVUKNBDQMYNJHC-FPCVCCKLSA-N 367.409 -0.052 30 20 FBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CNC(=O)N3)C2)c1 1008178187 DKIAZILJZDREGS-PPHDSNJXSA-N 356.386 -0.321 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]32)nc1 1022290181 FJWVCRBKIDXTNU-AEGPPILISA-N 354.366 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Cc1cc(C#N)nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1051423502 JBGQMBUDUNZIJE-CFVMTHIKSA-N 368.401 -0.169 30 20 FBED N#Cc1ccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1 1051446006 ASMYZPHWENPWOQ-OLZOCXBDSA-N 364.373 -0.548 30 20 FBED Cn1cnn(CC(=O)N2C[C@H]3CN(c4ccncc4C#N)C[C@@]3(C)C2)c1=O 1052475940 DNQPBULCCSKYQE-KDOFPFPSSA-N 367.413 -0.167 30 20 FBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1052899919 GBXNNYYPQUHZAD-VXGBXAGGSA-N 353.386 -0.056 30 20 FBED CO[C@H](C)C(=O)N1CCN(c2cnc(C#N)cn2)[C@H]2CS(=O)(=O)C[C@H]21 1054770717 XKFJGKZETBZPRE-KGYLQXTDSA-N 365.415 -0.803 30 20 FBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055966502 HPUBUWSHLKEVIA-IGCXYCKISA-N 353.419 -0.687 30 20 FBED N#CCSCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1C(N)=O 1056247436 KKQIWJCVQFJTOA-VOAKCMCISA-N 350.444 -0.044 30 20 FBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)O1 1058549473 SOVQBYUFJHHAFZ-MJBXVCDLSA-N 358.402 -0.321 30 20 FBED 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C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C[C@@H]21 1223079101 JMWCNVXXKILSPS-PMPSAXMXSA-N 360.458 -0.283 30 20 FBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O 1230100840 GRFRHAGYPYDUNG-MCIONIFRSA-N 350.419 -0.359 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCc3ncncc3C2)CC1 1262531741 JJNIWLGZYCKCKL-UHFFFAOYSA-N 355.398 -0.651 30 20 FBED CCOC[C@H](C(=O)OC)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1319324392 MAVRCPJQZPJFBW-PHIZWAGYSA-N 353.375 -0.061 30 20 FBED O=C(NCC#CCNC(=O)[C@H](O)c1cccnc1)[C@@H](O)c1cccnc1 1322073655 OXPAXIKDFMQMDJ-IYBDPMFKSA-N 354.366 -0.521 30 20 FBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 1323527628 HTMIGPLVQCGCGJ-OAGGEKHMSA-N 352.479 -0.212 30 20 FBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCO1 1324069737 DZEOMQMFGLCGFA-VHSXEESVSA-N 362.308 -0.593 30 20 FBED C=CCn1cc(CNC(=O)C(=O)NCCN2CCOCC2(C)C)nn1 1326250238 LQFRCVWNZXZVCG-UHFFFAOYSA-N 350.423 -0.693 30 20 FBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1327323091 LIUUQQJBKUGHHI-LSDHHAIUSA-N 352.435 -0.710 30 20 FBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 1327626941 YAQLVWIVOKROTO-AWEZNQCLSA-N 360.458 -0.425 30 20 FBED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C#N)c1 1331702915 PCKWBKUXXSEMKG-BXUZGUMPSA-N 364.427 -0.114 30 20 FBED N#Cc1ccc(CS(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)cc1 1332213769 KXYNXYRXZSDWLO-CQSZACIVSA-N 353.400 -0.237 30 20 FBED N#Cc1ccc(N2C[C@H](C(=O)NCCCN3C(=O)CNC3=O)CC2=O)cc1 1338726373 NMKFSZXGLRNWAB-CYBMUJFWSA-N 369.381 -0.031 30 20 FBED N#Cc1ccc(N2CCC(NC(=O)CN3CCC(=O)NC3=O)CC2)nc1 1338822823 FXPKBWUPFSEKEY-UHFFFAOYSA-N 356.386 -0.020 30 20 FBED CN(CCCNC(=O)CSc1nnc(CC#N)n1C)S(C)(=O)=O 1344415725 KEBMJMMVOJOYMN-UHFFFAOYSA-N 360.465 -0.629 30 20 FBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 1347037208 HCPKEGHTGWSFGQ-UHFFFAOYSA-N 374.441 -0.192 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nc1 1573288832 ULVOJSGCFHGCIR-GFCCVEGCSA-N 361.369 -0.219 30 20 FBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCCc3cnn[nH]3)[C@H](O)C2)nn1 1577715473 PBWNRMYOQQNPQC-ZIAGYGMSSA-N 356.390 -0.455 30 20 FBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1581137812 IETIAOYTMRBCDK-LBPRGKRZSA-N 367.373 -0.027 30 20 FBED C#CCNC(=O)CNC[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C 1588354499 NNJMUFOOMRHVMV-CYBMUJFWSA-N 372.433 -0.322 30 20 FBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)C[C@@H]1O 1588362554 KNQOHJVETWYSIO-HIFRSBDPSA-N 371.401 -0.724 30 20 FBED C#CCN(CC(=O)O)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC 1588419887 GCDWEWRMENLOQD-UHFFFAOYSA-N 355.372 -0.699 30 20 FBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)O)cc2)c(=O)n1C 1588465483 NDGFQUFVRZKPMM-UHFFFAOYSA-N 369.402 -0.050 30 20 FBED C=CCOCCN1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588683467 UQXYKFJTAGQMSY-MRXNPFEDSA-N 361.406 -0.436 30 20 FBED N#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)[nH]1 1592690860 JKDWSUBILUNKJA-UHFFFAOYSA-N 350.346 -0.181 30 20 FBED N#Cc1ccc(F)c(Cn2c(=O)c(-c3nn[nH]n3)cn(CCO)c2=O)c1 1592693405 ALIQMGUTOOQUIX-UHFFFAOYSA-N 357.305 -0.759 30 20 FBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(C(=O)O)CCOCC1 1601279756 RHLLHTCIZQHAJJ-BUHFOSPRSA-N 351.359 -0.100 30 20 FBED Cc1cc(=NCCN(CCO)C(=O)C#CC(C)C)c(-c2nn[nH]n2)c[nH]1 1605735921 XAVAMYJFEQEMEO-UHFFFAOYSA-N 357.418 -0.116 30 20 FBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CCC(=O)NC1=O 1606338023 PRVLBULPNAQOOQ-VXGBXAGGSA-N 354.326 -0.103 30 20 FBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@]2(C(=O)O)CCOC2)cc1 1610626929 BOTMSSLBADPFDW-OAHLLOKOSA-N 352.368 -0.167 30 20 FBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCNC1=O 1634974343 PMOIFXPTHPXLNL-LLVKDONJSA-N 365.415 -0.634 30 20 FBED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)Cn3ccnn3)CC2=O)cc1 1637559232 GKPKZIROVAZBQW-DZGCQCFKSA-N 354.370 -0.320 30 20 FBED CC(=O)N(CC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1 1641971117 YMPIGUYKWIVLAO-UHFFFAOYSA-N 355.354 -0.010 30 20 FBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)CCO1 1662016655 SWCMYFWWTSNXSU-OLZOCXBDSA-N 363.461 -0.644 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 1756688434 UBPFEDZEGDTQNC-ZNMIVQPWSA-N 367.446 -0.619 30 20 FBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCCC3)C1 1757034686 ZDCPFNRYAWCEMT-DDUZABMNSA-N 362.430 -0.152 30 20 FBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1OCC 1757388199 YKWIBFHTZQSDSW-UMVBOHGHSA-N 363.418 -0.553 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](CNCC(=O)O)C1 1777210134 UOZABEQDGZMXMP-CYBMUJFWSA-N 362.452 -0.521 30 20 FBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784603170 LXGWFUPQQZRDFR-RHSMWYFYSA-N 360.418 -0.133 30 20 FBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1790792795 RLXNWMLPELWOMM-XUXIUFHCSA-N 350.419 -0.693 30 20 FBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1800452247 TYUSNOUZXDYFRQ-FVCICTRLSA-N 368.393 -0.197 30 20 FBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800984576 ZJBYWMAGPMBUPC-AYDFFVQHSA-N 371.503 -0.383 30 20 FBED N#CCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1806281946 DEWFDYCZOGVYFA-MLGOLLRUSA-N 354.370 -0.123 30 20 FBED N#CCCC(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1806862622 GJVFNZHVNLCKPF-CZUORRHYSA-N 357.418 -0.126 30 20 FBED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755639 HUQLCIKUFGYYBO-PBHICJAKSA-N 353.419 -0.237 30 20 FBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1839810841 UYPQOOFWWZWBMN-CJNGLKHVSA-N 356.444 -0.810 30 20 FBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840163960 UKMWBRSXZNULQO-BLLLJJGKSA-N 368.459 -0.273 30 20 FBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840426691 IPDZOFQNNNBPKI-DNVCBOLYSA-N 373.409 -0.062 30 20 FBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938638 FZKCPTTUGQTFNZ-GOSISDBHSA-N 364.446 -0.158 30 20 FBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844156187 ONBXZKVSGHMKMM-STQMWFEESA-N 369.418 -0.155 30 20 FBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)cc1 45832240 VZEQHHGCGOUDKP-ZDUSSCGKSA-N 365.411 -0.301 30 20 FBED C/N=C(/NCCS(=O)(=O)NC(C)C)N1CCO[C@H](c2cnn(C)c2)C1 261664298 BGIXJZWLNGGPEU-AWEZNQCLSA-N 372.495 -0.303 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)C1=O 273104523 BPQRQAKHJXPVFY-GFCCVEGCSA-N 365.386 -0.035 30 20 FBED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H]2CO)ccc1F 274799148 JPGGEYPTVCKBAR-RYUDHWBXSA-N 358.391 -0.142 30 20 FBED N#Cc1ncn(CCNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 287689087 ALGNZWDHLTYKNS-NSHDSACASA-N 374.357 -0.382 30 20 FBED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 289349637 GOIZDXWQJDRGRA-UHFFFAOYSA-N 354.451 -0.636 30 20 FBED C#CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 298674054 XQNJRFVCCBSPIS-UHFFFAOYSA-N 368.437 -0.189 30 20 FBED N#Cc1ccccc1OCCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 299033598 IGUXYDUYFWCWFN-UHFFFAOYSA-N 372.425 -0.060 30 20 FBED CN(C)C(=O)C1(/C(O)=N/[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 330351358 MDLVNKIYNMEGGT-ZDUSSCGKSA-N 352.435 -0.256 30 20 FBED Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)nc1 348480956 VAYNAXMYUOWOCO-JTQLQIEISA-N 361.449 -0.004 30 20 FBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1 349539122 PTRUNFISFINANP-VXGBXAGGSA-N 374.444 -0.472 30 20 FBED CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 367135588 NJYHKKJXFOMCMP-GFCCVEGCSA-N 368.481 -0.893 30 20 FBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 407977079 QRNNGAIPRGYOAM-VXGBXAGGSA-N 352.482 -0.274 30 20 FBED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 441337238 INRLSKOAUYICPF-OAHLLOKOSA-N 351.363 -0.296 30 20 FBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C(=O)CNC1=O 443067290 FNWVWHVXMWIFBK-UHFFFAOYSA-N 353.316 -0.703 30 20 FBED CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1 489802160 JZMQPLDVCCVYNG-UHFFFAOYSA-N 358.445 -0.179 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CCN2CCOCC2)C1=O 509936276 AUEAZMGSEYRHKE-LBPRGKRZSA-N 352.391 -0.810 30 20 FBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 511347522 YEFGCRJKOXEHRX-RYUDHWBXSA-N 352.482 -0.226 30 20 FBED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)cc1 519536157 RWSUGTXCTWPOBR-UHFFFAOYSA-N 364.427 -0.165 30 20 FBED C=CCOCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 524707459 QNRJJRGYPXXHHA-UHFFFAOYSA-N 368.459 -0.148 30 20 FBED C[C@]1(C[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cn2)NC(=O)NC1=O 553455379 QNKJFFSBNJBUTN-YVEFUNNKSA-N 356.386 0.344 30 20 FBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 591472444 YYPQIJYUAACKLE-UHFFFAOYSA-N 362.430 -0.520 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1=O 592064041 RMTNUFBISOIQSY-UHFFFAOYSA-N 374.401 -0.959 30 20 FBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1 594488642 QBIZTKPSAVCARS-LBPRGKRZSA-N 373.456 -0.166 30 20 FBED C#CCNC(=O)CN1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 728572737 BPDQCWSVOMDKEW-UHFFFAOYSA-N 369.425 -0.661 30 20 FBED C#CCNC(=O)CN1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC1 735381771 QTMRGXYPUWJIAZ-UHFFFAOYSA-N 359.415 -0.565 30 20 FBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3C(=O)O)CC2)o1 738839316 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CC(C)(C)OC(=O)[C@@H]1CN(CC#CCN2CCO[C@@H](C(=O)O)C2)CCO1 1609754017 KQFFONMNAIEOAG-CABCVRRESA-N 368.430 -0.182 30 20 FBED CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 1757142763 MNPWIOHEKUUJTR-XHBSWPGZSA-N 368.459 -0.499 30 20 FBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780258657 MWXDBUNNHKPJMO-KRWDZBQOSA-N 359.338 -0.681 30 20 FBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CCC1 1783166325 FJRRCMPVXXMLCL-SCLBCKFNSA-N 360.414 -0.354 30 20 FBED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565590 VFSNIGWKTPDFMX-DYVFJYSZSA-N 352.387 -0.282 30 20 FBED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1791439671 CZBRBYQTPVZQDS-VGWMRTNUSA-N 350.463 -0.554 30 20 FBED Cn1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c1=O 1793788470 UVGPIRNHKBDLIH-CLLJXQQHSA-N 357.366 -0.275 30 20 FBED NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1796781631 YFUATRWPAPDTGX-PGPLOWCSSA-N 367.450 -0.560 30 20 FBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1806280293 WSUBFGBSUDKVBQ-ZQIUZPCESA-N 372.429 -0.406 30 20 FBED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835064785 MHFMRIXBRCJQFO-HNNXBMFYSA-N 364.494 -0.606 30 20 FBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839810784 SAYLMORCNVFBQW-GOSISDBHSA-N 363.414 -0.912 30 20 FBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1839810882 WUWXGHYFZCOUJK-FXAWDEMLSA-N 372.421 -0.320 30 20 FBED O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840830955 KQZZPUFVMDBLLY-LJQANCHMSA-N 360.410 -0.165 30 20 FBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841610751 AZLYLNLDNWMDPB-HNNXBMFYSA-N 369.462 -0.933 30 20 FBED N=C(N)NCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842883374 CMBNLIXKDLOZIU-UHFFFAOYSA-N 361.446 -0.629 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 268714976 MBIZZBIYRBHCEW-YPMHNXCESA-N 364.427 -0.051 30 20 FBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCOCC1 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Cn1nncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 329275979 KYIOGCXAULMXCK-UHFFFAOYSA-N 360.399 -0.167 30 20 FBED CC(C)N1C(=O)C[C@@H](/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)C1=O 329945322 IXXALZJKLSARRX-LLVKDONJSA-N 360.436 -0.944 30 20 FBED CC(=O)N1CC[C@H](/C(O)=N/[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 330195522 ZOXHHTKGVOXJQY-LSDHHAIUSA-N 352.435 -0.256 30 20 FBED C=CCNC(=O)Cc1noc(-c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)n1 350694854 NWGQPOPORVPJHI-UHFFFAOYSA-N 370.369 -0.165 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3nc(C)ncc3C2)C1=O 363191455 XPQBEBMLMMFWNT-LBPRGKRZSA-N 357.370 -0.265 30 20 FBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)OC)cc1 370350301 UWBLMBVVRZSZJD-OCCSQVGLSA-N 366.395 -0.654 30 20 FBED COC(=O)CCN(Cc1ccncc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409508442 DPSHIDSZLQOLPP-AWEZNQCLSA-N 368.415 -0.084 30 20 FBED CS(=O)(=O)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 409520138 QNHBOPHGAZKDRM-KBPBESRZSA-N 373.456 -0.169 30 20 FBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 410903334 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COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C#N)n3)C2)nn1 566913998 SNRQAZAPXIARHT-UHFFFAOYSA-N 355.314 -0.647 30 20 FBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCCN3)CC2)c1C#N 591418875 NPIIHOZVXHYQCY-AWEZNQCLSA-N 373.461 -0.493 30 20 FBED C=CCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1 648348830 OMYRPZFTXSTMPT-ZDUSSCGKSA-N 369.447 -0.269 30 20 FBED CN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O 733564807 NOTFKIDYKROXEF-GFCCVEGCSA-N 370.321 -0.373 30 20 FBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 757343526 MDDSRSKAVPWXGR-UHFFFAOYSA-N 364.402 -0.247 30 20 FBED C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 784794724 UHHOFVGHKPIBOL-LLVKDONJSA-N 351.384 -0.474 30 20 FBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798825590 HZWQWOGALOKIJV-ZJUUUORDSA-N 370.391 -0.901 30 20 FBED CC(Cc1ccc(O)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883375 LOIOGSXIFQHOPI-UHFFFAOYSA-N 366.399 -0.314 30 20 FBED O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1CCCN(O)C1=O 848138100 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30 20 FBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354387 LQSHCLUSESHWDN-CYBMUJFWSA-N 370.417 -0.472 30 20 FBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588358847 VQHMWJVOJAMFBX-AAEUAGOBSA-N 371.401 -0.094 30 20 FBED C#CCOc1ccccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1588363308 YATUTAHJHRISNF-UHFFFAOYSA-N 367.325 -0.220 30 20 FBED C=CCCOCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@@H]1O 1588615984 PURVCMLVNOSZPS-KGLIPLIRSA-N 373.417 -0.171 30 20 FBED COCCN(CCC#N)S(=O)(=O)N1CCSC[C@H]1CC(=O)O 1599235708 LXXWMJCNKSCHKC-LLVKDONJSA-N 351.450 -0.015 30 20 FBED C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 1602721814 XQLUWXBOBYZIRP-AWEZNQCLSA-N 369.433 -0.351 30 20 FBED C=C[C@@H]1OCC[C@H]1NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602888317 NCACKFTYRRDGAX-NEPJUHHUSA-N 350.404 -0.032 30 20 FBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@](O)(C(=O)O)C1 1606534913 KXVPAEAQWOQQGT-CQSZACIVSA-N 354.340 -0.445 30 20 FBED Cc1csc2nc(Cn3c(N)nc(-c4nn[nH]n4)c3C#N)cc(=O)n12 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361.398 -0.274 30 20 FBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCS(C)(=O)=O 268801113 YPXGZRLICSILQD-NSHDSACASA-N 373.456 -0.224 30 20 FBED CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1=O 273345453 XMDVHRRQWDGZGK-LBPRGKRZSA-N 364.427 -0.084 30 20 FBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 283099604 XCYBDUDHVIZAAM-NSHDSACASA-N 360.461 -0.055 30 20 FBED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)NCC2CCC2)n1 286505382 ADLQWEQCBQETRU-UHFFFAOYSA-N 355.424 -0.832 30 20 FBED CN/C(=N\CCCCN1CCC(C(N)=O)CC1)NCCN1CCOCC1 303910362 YUIQNOMDBNVFPF-UHFFFAOYSA-N 368.526 -0.539 30 20 FBED CS(=O)(=O)N1CCC[C@@H]1CN/C(O)=N/C[C@@H]1CC(=O)N(C2CC2)C1 329345856 RCFAKOWRENTBGF-WCQYABFASA-N 358.464 -0.075 30 20 FBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C)C1 349447679 IXIIDTQKGNBSEY-JTQLQIEISA-N 372.428 -0.703 30 20 FBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349461004 IZPHANIIXPZCSR-NWDGAFQWSA-N 367.493 -0.417 30 20 FBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CCS1 349510420 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-0.100 30 20 FBED CNC(=O)NCCC(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1091041927 IGFZYDWCKAVAJY-LSDHHAIUSA-N 358.402 -0.312 30 20 FBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3cc(C)nc(CO)n3)C[C@@H]21 1091056680 SAESPDQQTFDIFP-SOUVJXGZSA-N 360.414 -0.268 30 20 FBED C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)c1cnn(C)c1 1091165053 OGZHPVKGOUBNAI-GLQYFDAESA-N 355.402 -0.059 30 20 FBED C#CCN1CCN(C(=O)[C@H]2CCc3nccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641120 CRABCCXKOSGYOS-SOUVJXGZSA-N 362.455 -0.612 30 20 FBED C=C(Cl)CN1CCN(C(=O)Cc2nc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094674220 CLNULZWFOHHAMY-WDEREUQCSA-N 359.839 -0.591 30 20 FBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@]2(C)C1 1101224028 LRWQLYWBSHQOHK-PXAZEXFGSA-N 360.418 -0.185 30 20 FBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@]2(C)C1 1101399179 NULYEDRNYVAGAM-ACJLOTCBSA-N 369.429 -0.180 30 20 FBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2N)C1 1102894509 QQGNQCJBQORXTN-MGPQQGTHSA-N 360.462 -0.172 30 20 FBED C=CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CS(=O)(=O)NC)[C@H]2C(C)C 1105674659 IAMUOMZWWYWVGI-VDERGJSUSA-N 359.492 -0.312 30 20 FBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C 1106329518 BRAGESZQMDOSFL-QLFBSQMISA-N 350.463 -0.159 30 20 FBED C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1CNCC(=O)NCC#N 1106329929 NGXVALBMFOFBHT-IUODEOHRSA-N 357.414 -0.277 30 20 FBED COCC#CCN1CCN(C(=O)C2CC=CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465141 KTVZDFJZUIXAOA-JKSUJKDBSA-N 352.456 -0.088 30 20 FBED CN(C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1109303191 MZCKKAYZCQHIHW-KBMXLJTQSA-N 373.461 -0.580 30 20 FBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1109319769 FSFYOXOSZVPEML-RDBSUJKOSA-N 373.461 -0.559 30 20 FBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 1109584404 IDMRMBDUHZQLGL-PMPSAXMXSA-N 369.425 -0.133 30 20 FBED CC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109937603 GFRDKAXEECEQCH-KBXIAJHMSA-N 361.446 -0.251 30 20 FBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)C1=O 1116375975 OEGDCVSQLOKEDR-LBPRGKRZSA-N 350.375 -0.710 30 20 FBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 1117824621 NUFGWKQSICDWGF-WBMJQRKESA-N 352.366 -0.700 30 20 FBED CC(C)NC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129607860 FLPRYDDSAYBKLP-OLZOCXBDSA-N 365.463 -0.599 30 20 FBED C#CCNC(=O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](CC)OC)C1 1129774957 RRJIMEJKWOHUQA-KFWWJZLASA-N 362.434 -0.816 30 20 FBED C#CCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC(=O)NCC)C2)CCC1 1129894547 JFSDTGHDIHZPFQ-CABCVRRESA-N 358.446 -0.051 30 20 FBED C=CCOCC(=O)N1C[C@@H](NCc2cnn(C)n2)[C@H](c2cn(C)cn2)C1 1130542897 OVHWARGZABVRPH-GOEBONIOSA-N 359.434 -0.165 30 20 FBED C#CCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1c1cn(C)cn1 1130630274 JYSXZVWRURAZEJ-DZGCQCFKSA-N 354.414 -0.265 30 20 FBED COCC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)O1 1130765391 QCNXWHHJJGDEFH-HZSPNIEDSA-N 365.434 -0.085 30 20 FBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cncn1C 1131110707 VRRZILIEEIAYRX-QLFBSQMISA-N 361.446 -0.215 30 20 FBED CC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNS(=O)(=O)CC)CC1 1131515583 SPTHHGGTPCWBTM-WBVHZDCISA-N 371.503 -0.065 30 20 FBED CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC 1142333591 NCTPTXDSFDXJDP-NSHDSACASA-N 352.416 -0.244 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NC(=O)NCC)C2)C1 1148310313 AYAZWFXXVMGSQS-KGLIPLIRSA-N 364.446 -0.043 30 20 FBED C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H](C)C(=O)NC(N)=O)C[C@H]32)nc1 1189844868 ZLUQCGRYWIRDPB-CORIIIEPSA-N 355.398 -0.207 30 20 FBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1191478171 DYSACFAPBUHTRR-KNCOVGOOSA-N 350.419 -0.790 30 20 FBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O 1192374994 OEBRGTTWCAKPJF-NWANDNLSSA-N 364.446 -0.282 30 20 FBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOCC2)C1 1192563734 NRPVBPPBIRJDDD-ARFHVFGLSA-N 366.462 -0.273 30 20 FBED 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C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCOC)c1)C(=O)OC 837937463 YPFGTCXXQCAYQJ-CQSZACIVSA-N 368.411 -0.094 30 20 FBED N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 843462599 RIJNCWKHQKYNLS-GWCFXTLKSA-N 360.395 -0.165 30 20 FBED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CCCN(O)C1=O 848138227 KLCKUSCKRLSFSE-ZJUUUORDSA-N 353.466 -0.456 30 20 FBED COC(=O)c1ccc(NCCS(=O)(=O)N2CCOCC2)c(C#N)n1 848659574 MNNBXSJARQWHRH-UHFFFAOYSA-N 354.388 -0.186 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COCC)C(C)C)CC1 894379446 NDCRYNDMXAYUOU-CQSZACIVSA-N 360.480 -0.158 30 20 FBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN(C)C2)CC1 897562883 HSRKQOBUZJFCGH-HNNXBMFYSA-N 371.507 -0.487 30 20 FBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2cncn2C)CCO1 944783661 QPBHQYFQFCEDAR-OAGGEKHMSA-N 362.430 -0.103 30 20 FBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2OC)c1 946641097 RUFPCDNFSZYZGR-HZPDHXFCSA-N 368.397 -0.300 30 20 FBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)nc1 948550988 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