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Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 604269988 LSLHURGJDPYQBM-UHFFFAOYSA-N 454.552 -0.023 30 20 JBED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1315067170 PKNSVYZAJCDAHG-INIZCTEOSA-N 458.548 -0.023 30 20 JBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783767393 VFHHHHDVKFIPJV-GTQRCTGISA-N 479.534 -0.116 30 20 JBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247277 JBPBSRYQYNCXMT-MUGJNUQGSA-N 450.580 -0.297 30 20 JBED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C(=O)C1 1795423946 PVNVRMLACDFFKU-CWPLJXCYSA-N 463.535 -0.041 30 20 JBED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829044621 OLANPRLIFWRXAB-WWEVIYMKSA-N 471.558 -0.237 30 20 JBED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1835536916 UYALKEKOWBWCBH-OPAMFIHVSA-N 495.581 -0.487 30 20 JBED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCNC2=N)CCO3)c1 1835632353 LQZAEIHEFJHPCB-QHCPKHFHSA-N 454.531 -0.213 30 20 JBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835751507 DPZMNNLSXMCZRS-YGKZAACZSA-N 498.577 -0.025 30 20 JBED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccco1 1837527702 TZGGTCMXSXQRFK-PIVQEWKSSA-N 478.502 -0.005 30 20 JBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cnnn1 1837532783 GHCMGNHTGWJJEN-HUHVIYJASA-N 451.484 -0.781 30 20 JBED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838582320 KOWSMUBVZMGCPR-AVRDEDQJSA-N 476.486 -0.299 30 20 JBED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1839420375 FPWAICWYDICENW-IBGZPJMESA-N 470.394 -0.508 30 20 JBED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839782641 DDYGORNEAGHIEI-KYPGUPDXSA-N 473.548 -0.451 30 20 JBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 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CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788639129 XBZJOZXKQJZHRU-VJANTYMQSA-N 466.535 -0.257 30 20 JBED C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812443258 DBCKUMNMISVRKV-AXVVYFOYSA-N 455.540 -0.099 30 20 JBED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713391 WHMPIRAENYZERL-KLCWCRIBSA-N 459.547 -0.768 30 20 JBED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc1 1829631017 FSQVJYHBTJIIJF-WMZHIEFXSA-N 457.531 -0.460 30 20 JBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829961280 KTYAMWGREKDQAP-LLJLJFOGSA-N 492.573 -0.114 30 20 JBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1831427255 QQXWDUGKIFRSIO-UWJYYQICSA-N 473.592 -0.295 30 20 JBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831997937 IPYGOKDWSZKJEN-YCRPNKLZSA-N 468.555 -0.605 30 20 JBED 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1839487811 HQSJJIVHTBZSTH-KSFYIVLOSA-N 469.502 -0.049 30 20 JBED COC(=O)c1ccccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040052 MXSUYOFPWMZUDD-QHCPKHFHSA-N 458.467 -0.050 30 20 JBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1840907016 NSYKGFXZMFCXFS-AOMKIAJQSA-N 466.535 -0.505 30 20 JBED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2CC(N)=O)CC1 520626351 IVSHWAIICPGUFN-UHFFFAOYSA-N 457.531 -0.490 30 20 JBED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)C1 1712706221 IMDUZJPMRTXWTM-DLBZAZTESA-N 453.569 -0.174 30 20 JBED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F 1722868865 MJJHKCUMANPXRK-VXGBXAGGSA-N 467.474 -0.115 30 20 JBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1761498426 FNWXRMXYSJMUQH-SOLBZPMBSA-N 466.612 -0.214 30 20 JBED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767806264 LQEJHUGTXWAZOU-MRXNPFEDSA-N 458.548 -0.090 30 20 JBED 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N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1838330428 FWGJXNSEBJDRPZ-JOCHJYFZSA-N 468.445 -0.030 30 20 JBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741767 AFUJMIDHZHIKRQ-KNQAVFIVSA-N 469.502 -0.573 30 20 JBED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(C#N)c1 1839133598 YJWUWYCEOZRNQA-KSFYIVLOSA-N 469.502 -0.187 30 20 JBED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421511 VJNJRSXXQPYTCN-DENIHFKCSA-N 462.478 -0.082 30 20 JBED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC[C@@H](N)C(N)=O)C4)C3)c2c1 1839487663 DPJVDDOBSMIFHS-OPAMFIHVSA-N 469.502 -0.903 30 20 JBED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839666430 JOTIBWSKKVMKIJ-MHECFPHRSA-N 486.573 -0.062 30 20 JBED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045084 QCHRIZLSYVOKIF-BTYIYWSLSA-N 485.559 -0.213 30 20 JBED 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O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1779101316 JPEQZRJXGHFMDT-ZXRHXNHJSA-N 472.564 -0.229 30 20 JBED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783558732 WWNHCZSDIPLAOU-KKSFZXQISA-N 463.512 -0.420 30 20 JBED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)c(C#N)c1 1799239717 ITLDYDYTEIHVEN-UDKICSLYSA-N 458.515 -0.650 30 20 JBED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1830182641 OBQZQUYYSBMIHQ-HXUWFJFHSA-N 450.469 -0.752 30 20 JBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1831209563 OQDHTIJXKGGPSL-WAIKUNEKSA-N 456.499 -0.138 30 20 JBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1831396786 JKBZOFBSGGTABK-XMODTWTHSA-N 495.573 -0.291 30 20 JBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102154 NAXLFWDTBDNQCM-RCZVLFRGSA-N 479.537 -0.035 30 20 JBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836255476 DNBFPVUYDPLILB-VBKZILBWSA-N 468.532 -0.501 30 20 JBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837626190 ADBLDSVKBOFAHA-QJKPHDSHSA-N 457.487 -0.665 30 20 JBED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839184951 IRAWJBCGAQIJBS-AOMKIAJQSA-N 482.582 -0.215 30 20 JBED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363461 VVHFDCZAHSWMNR-REWPJTCUSA-N 458.515 -0.026 30 20 JBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840322991 JZMSXRFAIJVGGQ-ZHRRBRCNSA-N 482.534 -0.285 30 20 JBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1840908633 CYMUQXHDFLNAOE-VGOFRKELSA-N 466.535 -0.505 30 20 JBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840908933 KCMZZIIMCBQCBG-CYFREDJKSA-N 494.589 -0.308 30 20 JBED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 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JBED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599153 XMOWZCJJYYVYED-CUSZFKRNSA-N 457.535 -0.534 30 20 JBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1829773197 DGYMQRSYSQSMSB-XBKFQHLESA-N 456.499 -0.286 30 20 JBED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)c(O)n1 1833698406 HHBLTCJUZMELIV-HSZRJFAPSA-N 472.546 -0.184 30 20 JBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1835674732 LEMAGTXKMGXFHE-NRFANRHFSA-N 494.574 -0.810 30 20 JBED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1 1839420878 KPEDDOVBWRXKJB-IRLDBZIGSA-N 462.478 -0.582 30 20 JBED CCOC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Cc1ccco1 1840044201 PVKYLAIOUFFUMM-QFIPXVFZSA-N 477.470 -0.218 30 20 JBED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 608911173 OPYNQLQLFKVQCN-UHFFFAOYSA-N 497.346 -0.048 30 20 JBED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918263710 STQKTUVLMIXQOV-RCCKNPSSSA-N 459.550 -0.507 30 20 JBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)CC2)o1 920606488 BGEVKWHQKQWNRJ-UHFFFAOYSA-N 469.458 -0.751 30 20 JBED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C[C@@H]3NC(=O)NC3=O)C4)c2c1 1799883241 VMYCEPYPKOOMBJ-RBNVPPIJSA-N 451.443 -0.764 30 20 JBED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)cc1 1829631015 FSQVJYHBTJIIJF-CVDCTZTESA-N 457.531 -0.460 30 20 JBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1831402431 YTEXVQDDJSMXKR-FVJVTNMWSA-N 495.573 -0.149 30 20 JBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832247384 XYSGAHSTGOSFOV-BLLLJJGKSA-N 454.373 -0.164 30 20 JBED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1832927985 NXYRUCLBXYMNSQ-FLPAMXLZSA-N 451.480 -0.094 30 20 JBED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834972087 PEXUZJIPFWJZBN-AWEZNQCLSA-N 456.507 -0.964 30 20 JBED O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1837315782 LZPZGCJVXNUNGF-ZDUSSCGKSA-N 498.304 -0.097 30 20 JBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839043777 SISJVXGZDIKZNI-OAQYLSRUSA-N 461.544 -0.102 30 20 JBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840045072 PUIRTZHLAIASIW-HSZRJFAPSA-N 467.434 -0.726 30 20 JBED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2C(=O)C=CC2=O)CCO3)c(C#N)c1 1840263918 YQIJNRAFLMRNMR-DEOSSOPVSA-N 482.493 -0.509 30 20 JBED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 748002733 VREOQVNHPPCRTL-WKRZDEFASA-N 465.532 -0.069 30 20 JBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779414025 UOQGXHUESAKKDF-SFGWALBWSA-N 451.568 -0.567 30 20 JBED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2)C(=O)C(=O)O 1782751081 BHSWOZDBKVGDIK-OAQYLSRUSA-N 454.443 -0.579 30 20 JBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1783557695 PUJQHKOMQIOTFZ-QHCPKHFHSA-N 468.441 -0.038 30 20 JBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793595493 OTKOKZXUTFRLQX-DFGXFYAUSA-N 464.567 -0.115 30 20 JBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795645484 IFGZTVYPJKGCLV-ORDFZIBCSA-N 466.535 -0.445 30 20 JBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc(=O)n2[nH]nnc2n1 1796109818 BXOSIEMJMKZANV-YGZPADNSSA-N 469.483 -0.484 30 20 JBED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1801931205 RNHWWPHVNVKYEW-BASYENTBSA-N 452.556 -0.081 30 20 JBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812387281 LOJHSKJMEDUOQZ-YCLSTDHLSA-N 457.487 -0.511 30 20 JBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833488528 HXFFZRNMIWUMFG-YOXWTLATSA-N 459.459 -0.897 30 20 JBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1835677447 IKPQWMWNHFMUQP-SFHVURJKSA-N 464.441 -0.170 30 20 JBED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccco1 1837527704 TZGGTCMXSXQRFK-ROZQTZPBSA-N 478.502 -0.005 30 20 JBED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)c1 1838906118 ROXICFUMFTXIFF-IBGZPJMESA-N 452.404 -0.647 30 20 JBED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045177 VFNJKWIEWRLMLZ-CVDCTZTESA-N 475.473 -0.583 30 20 JBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCNS(C)(=O)=O 608912799 DGXNHCHEUHUQFM-UHFFFAOYSA-N 462.553 -0.727 30 20 JBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1303405111 HSGIKJUZKKWUAD-KRWDZBQOSA-N 496.663 -0.029 30 20 JBED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1555428757 YFKIIYRFIJURHD-JLSDUUJJSA-N 460.532 -0.160 30 20 JBED CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710982813 ICWVRJVQMJNBNL-DLBZAZTESA-N 480.595 -0.734 30 20 JBED 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