smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCn1cc([C@H]2[C@H](CNC(=O)c3csnc3C)CC(=O)N2C(C)(C)C)cn1 ZINC000328607127 569418877 /nfs/dbraw/zinc/41/88/77/569418877.db2.gz UPMIEXVIHRMNQQ-KBXCAEBGSA-N 0 0 419.551 2.987 20 30 HFEDRN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000328608132 569419278 /nfs/dbraw/zinc/41/92/78/569419278.db2.gz YDLSRNAMTQTITJ-RHSMWYFYSA-N 0 0 414.531 2.956 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001164679019 719538773 /nfs/dbraw/zinc/53/87/73/719538773.db2.gz QGMFHGQPFINQIE-DAXOMENPSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC001164690958 719766659 /nfs/dbraw/zinc/76/66/59/719766659.db2.gz JHZCSBBTCPWWAS-CVEARBPZSA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC001164690934 719767827 /nfs/dbraw/zinc/76/78/27/719767827.db2.gz JAARORMIKSICCQ-CVEARBPZSA-N 0 0 403.820 2.926 20 30 HFEDRN CCCc1cc(C#N)c(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1Cl ZINC001164698797 719858663 /nfs/dbraw/zinc/85/86/63/719858663.db2.gz DSRUHYZGCGSBNK-UWJYYQICSA-N 0 0 420.941 2.792 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)cc(Cl)n1 ZINC001164852356 720810781 /nfs/dbraw/zinc/81/07/81/720810781.db2.gz NFVOCSZUCPCYTK-XJKSGUPXSA-N 0 0 403.820 2.641 20 30 HFEDRN COc1cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778614 721331674 /nfs/dbraw/zinc/33/16/74/721331674.db2.gz XTOSCDVPFYMTRC-JOCHJYFZSA-N 0 0 411.506 2.686 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001164882944 721340569 /nfs/dbraw/zinc/34/05/69/721340569.db2.gz JBPBGPGNRZPPIZ-MAUKXSAKSA-N 0 0 410.852 2.663 20 30 HFEDRN N#Cc1cc(C(F)(F)N2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)cnc1Cl ZINC001164882699 721342593 /nfs/dbraw/zinc/34/25/93/721342593.db2.gz HCSARNRHMSCCRF-CRAIPNDOSA-N 0 0 410.852 2.663 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)cnc1Cl ZINC001164885768 721364642 /nfs/dbraw/zinc/36/46/42/721364642.db2.gz ZAWAUHONXNTASW-JKSUJKDBSA-N 0 0 422.794 2.911 20 30 HFEDRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)CC2=O)cn1 ZINC001164885477 721372100 /nfs/dbraw/zinc/37/21/00/721372100.db2.gz IIZLRXUZIRYCPL-QGZVFWFLSA-N 0 0 406.824 2.518 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1Cl ZINC001164895337 721480333 /nfs/dbraw/zinc/48/03/33/721480333.db2.gz LFQOKADQDXYYMQ-RDTXWAMCSA-N 0 0 410.852 2.521 20 30 HFEDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H]2CCCO[C@@H]12 ZINC001164803106 721537671 /nfs/dbraw/zinc/53/76/71/721537671.db2.gz ICHCAQFKVDPDDI-BHDDXSALSA-N 0 0 400.486 2.765 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001164902219 721580032 /nfs/dbraw/zinc/58/00/32/721580032.db2.gz DGCHNCFCBJBHEI-SFHVURJKSA-N 0 0 420.851 2.817 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164808663 721607067 /nfs/dbraw/zinc/60/70/67/721607067.db2.gz YIWZERKMLMSODT-KSSFIOAISA-N 0 0 423.851 2.803 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)c1 ZINC001165024488 721784521 /nfs/dbraw/zinc/78/45/21/721784521.db2.gz XMLBZMHXQOZCCJ-SFHVURJKSA-N 0 0 418.835 2.965 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c1 ZINC001165024485 721784526 /nfs/dbraw/zinc/78/45/26/721784526.db2.gz XMLBZMHXQOZCCJ-GOSISDBHSA-N 0 0 418.835 2.965 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]21 ZINC001164941653 721937284 /nfs/dbraw/zinc/93/72/84/721937284.db2.gz IYCIHYYAYVAYTA-DLBZAZTESA-N 0 0 423.851 2.846 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]21 ZINC001164941897 721946546 /nfs/dbraw/zinc/94/65/46/721946546.db2.gz JBNSUKQPHYBDEK-IAGOWNOFSA-N 0 0 423.851 2.846 20 30 HFEDRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1 ZINC001164955038 722008062 /nfs/dbraw/zinc/00/80/62/722008062.db2.gz RUBKQZKTRZGETI-SJCJKPOMSA-N 0 0 413.856 2.551 20 30 HFEDRN CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C2)C1 ZINC001164955734 722009085 /nfs/dbraw/zinc/00/90/85/722009085.db2.gz YEGBQALLNKVDBG-DYVFJYSZSA-N 0 0 413.856 2.551 20 30 HFEDRN CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1 ZINC001164955401 722009159 /nfs/dbraw/zinc/00/91/59/722009159.db2.gz VNCPYAIVNMLRGU-DYVFJYSZSA-N 0 0 413.856 2.551 20 30 HFEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCO2 ZINC001164976006 722169186 /nfs/dbraw/zinc/16/91/86/722169186.db2.gz IZTHOGIMUNVKPG-ACJLOTCBSA-N 0 0 415.868 2.957 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001165005910 722267931 /nfs/dbraw/zinc/26/79/31/722267931.db2.gz KHRCVOMNDRHDFT-XMMPIXPASA-N 0 0 419.504 2.899 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2C[C@@H](O)C(C)(C)C2)c1 ZINC000790497067 1078043746 /nfs/dbraw/zinc/04/37/46/1078043746.db2.gz IXXFAALZONTPNR-SFAXUQRRSA-N 0 0 422.551 2.514 20 30 HFEDRN CC1(c2cccc(Cl)c2)CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000793002859 1078045677 /nfs/dbraw/zinc/04/56/77/1078045677.db2.gz CGUCXENNCHNGJG-VHEBQXMUSA-N 0 0 416.909 2.930 20 30 HFEDRN C#C[C@@H](NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1)[C@H]1CCCO1 ZINC000790503155 1078046694 /nfs/dbraw/zinc/04/66/94/1078046694.db2.gz RYTKJOLWJNMXMJ-IEBWSBKVSA-N 0 0 410.474 2.815 20 30 HFEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)ccc1OC ZINC000793013642 1078048509 /nfs/dbraw/zinc/04/85/09/1078048509.db2.gz SYZNXQXEBPYKGC-VGSWGCGISA-N 0 0 417.506 2.856 20 30 HFEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000790533054 1078052446 /nfs/dbraw/zinc/05/24/46/1078052446.db2.gz IEXJPVBAUZZQAN-UHFFFAOYSA-N 0 0 415.415 2.522 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)o1 ZINC000793074446 1078062983 /nfs/dbraw/zinc/06/29/83/1078062983.db2.gz HVGBSOOGFSDSOE-UHFFFAOYSA-N 0 0 409.446 2.662 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)CC2)o1 ZINC000793083724 1078064047 /nfs/dbraw/zinc/06/40/47/1078064047.db2.gz DQTJVBUYKZLQSF-UHFFFAOYSA-N 0 0 417.510 2.587 20 30 HFEDRN O=C(/C=C/c1ccnn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000790603220 1078064905 /nfs/dbraw/zinc/06/49/05/1078064905.db2.gz ZHYZHOVOYMNKPP-DHZHZOJOSA-N 0 0 423.494 2.789 20 30 HFEDRN Cc1nn(C)c(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)c1Br ZINC000790604561 1078065641 /nfs/dbraw/zinc/06/56/41/1078065641.db2.gz SNZJDNGERZKRDC-CMDGGOBGSA-N 0 0 406.280 2.854 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000746929249 1078066425 /nfs/dbraw/zinc/06/64/25/1078066425.db2.gz XXQMQLJISWAKIU-AWEZNQCLSA-N 0 0 414.462 2.607 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000746929920 1078067862 /nfs/dbraw/zinc/06/78/62/1078067862.db2.gz BOFBBKCCWITZKJ-UHFFFAOYSA-N 0 0 416.437 2.782 20 30 HFEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCSCc1ccccc1 ZINC000790632360 1078068568 /nfs/dbraw/zinc/06/85/68/1078068568.db2.gz KUPWPBBRXQOJPC-UHFFFAOYSA-N 0 0 418.540 2.982 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCc1nn2c(nc(C)cc2=O)s1 ZINC000746931790 1078070421 /nfs/dbraw/zinc/07/04/21/1078070421.db2.gz WIOWAIMCSKPIJG-UHFFFAOYSA-N 0 0 423.454 2.567 20 30 HFEDRN CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000793122513 1078071043 /nfs/dbraw/zinc/07/10/43/1078071043.db2.gz BJPHSICEMQKJSA-KRWDZBQOSA-N 0 0 403.398 2.610 20 30 HFEDRN N#CC[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000793125413 1078071828 /nfs/dbraw/zinc/07/18/28/1078071828.db2.gz RKTQSPVADXPLMR-HXUWFJFHSA-N 0 0 411.527 2.625 20 30 HFEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cc3ccccc3)[nH]n2)cc1OC ZINC000793126473 1078072044 /nfs/dbraw/zinc/07/20/44/1078072044.db2.gz SRABKZKYUDYDCR-KRWDZBQOSA-N 0 0 404.426 2.979 20 30 HFEDRN COC(=O)c1ccc(Br)c(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 ZINC000793117632 1078083675 /nfs/dbraw/zinc/08/36/75/1078083675.db2.gz NXZTWCFGOJNFKL-UHFFFAOYSA-N 0 0 419.191 2.912 20 30 HFEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000793118864 1078084010 /nfs/dbraw/zinc/08/40/10/1078084010.db2.gz UGCAZARLVMHNKX-CLCOLTQESA-N 0 0 411.487 2.799 20 30 HFEDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C1=O ZINC000790672105 1078085916 /nfs/dbraw/zinc/08/59/16/1078085916.db2.gz WPARLDCOFNMXKB-HSZRJFAPSA-N 0 0 417.469 2.783 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OC3CCN(CC(F)(F)F)CC3)CC2)o1 ZINC000793165427 1078086198 /nfs/dbraw/zinc/08/61/98/1078086198.db2.gz XLKHCCLHFMJDDW-UHFFFAOYSA-N 0 0 400.401 2.641 20 30 HFEDRN N#Cc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(F)c1 ZINC000772828597 1078087298 /nfs/dbraw/zinc/08/72/98/1078087298.db2.gz ZBQLIDWYUZELSN-UHFFFAOYSA-N 0 0 417.422 2.836 20 30 HFEDRN COC(=O)c1ccc(OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(C(C)=O)c1 ZINC000793148093 1078090601 /nfs/dbraw/zinc/09/06/01/1078090601.db2.gz SIAGPNCTGPZYIX-UHFFFAOYSA-N 0 0 411.414 2.666 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000780674439 1078092329 /nfs/dbraw/zinc/09/23/29/1078092329.db2.gz NETUWQVSJOTZTB-OAHLLOKOSA-N 0 0 414.487 2.791 20 30 HFEDRN CN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1ccc(C#N)cc1F ZINC000772828848 1078093094 /nfs/dbraw/zinc/09/30/94/1078093094.db2.gz UKQTUFRHYWENLZ-UHFFFAOYSA-N 0 0 407.430 2.971 20 30 HFEDRN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790656489 1078095070 /nfs/dbraw/zinc/09/50/70/1078095070.db2.gz VYHSXWPAFQVQPV-QGZVFWFLSA-N 0 0 416.447 2.779 20 30 HFEDRN CCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000747105486 1078097556 /nfs/dbraw/zinc/09/75/56/1078097556.db2.gz AZYRAEORWSDCOS-KRWDZBQOSA-N 0 0 408.414 2.820 20 30 HFEDRN CCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000747105490 1078097604 /nfs/dbraw/zinc/09/76/04/1078097604.db2.gz AZYRAEORWSDCOS-QGZVFWFLSA-N 0 0 408.414 2.820 20 30 HFEDRN CN(C)S(=O)(=O)c1ccccc1N=NCc1cccc(NC(=O)C(F)(F)F)c1 ZINC000793197322 1078098902 /nfs/dbraw/zinc/09/89/02/1078098902.db2.gz RUMAHRPIDHITPT-UHFFFAOYSA-N 0 0 414.409 2.884 20 30 HFEDRN C=CC[C@]1(C(=O)N2CCN(CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790701228 1078099875 /nfs/dbraw/zinc/09/98/75/1078099875.db2.gz JCBCLIHEXNPPFW-JOCHJYFZSA-N 0 0 409.571 2.901 20 30 HFEDRN CCO[C@@H]1C[C@@H](OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C12CCOCC2 ZINC000793221969 1078099956 /nfs/dbraw/zinc/09/99/56/1078099956.db2.gz JPAQXVLHUZYSOP-QZTJIDSGSA-N 0 0 403.479 2.589 20 30 HFEDRN CC(C)=CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 ZINC000790705880 1078101489 /nfs/dbraw/zinc/10/14/89/1078101489.db2.gz QHNUIXLFZTYMEA-GLEDVZQVSA-N 0 0 400.548 2.949 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)O[C@H]3CCO[C@@H](C4CCOCC4)C3)CC2)o1 ZINC000793230810 1078102168 /nfs/dbraw/zinc/10/21/68/1078102168.db2.gz WNXKXSHFZUGJQE-PKOBYXMFSA-N 0 0 403.479 2.589 20 30 HFEDRN CC(C)=CCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 ZINC000790709952 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COc1ccc(C[C@@](C)(NC(C)=O)C(=O)Oc2cccc(OCC#N)c2)cc1OC ZINC001129781142 1078490718 /nfs/dbraw/zinc/49/07/18/1078490718.db2.gz LUSCGMSMUGYDRN-JOCHJYFZSA-N 0 0 412.442 2.649 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000804456270 1078494895 /nfs/dbraw/zinc/49/48/95/1078494895.db2.gz WBCVVNHOWLPMJG-LJQANCHMSA-N 0 0 414.452 2.996 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000804456620 1078497818 /nfs/dbraw/zinc/49/78/18/1078497818.db2.gz DGJNDPNFKBRFGY-VSKRKVRLSA-N 0 0 406.482 2.509 20 30 HFEDRN Cc1nsc(N2CCN(C(=O)c3cncc(Br)c3C)CC2)c1C#N ZINC001129488544 1078508335 /nfs/dbraw/zinc/50/83/35/1078508335.db2.gz UMSTVWGPTJCSIG-UHFFFAOYSA-N 0 0 406.309 2.752 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCOC1CCCC1 ZINC000747190482 1078523070 /nfs/dbraw/zinc/52/30/70/1078523070.db2.gz GSUQYVXRISLMGF-SFHVURJKSA-N 0 0 421.563 2.605 20 30 HFEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000804462466 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ZINC000804764139 1078620503 /nfs/dbraw/zinc/62/05/03/1078620503.db2.gz SSPPCRLAYXNCBY-KRWDZBQOSA-N 0 0 418.925 2.979 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000804577423 1078632084 /nfs/dbraw/zinc/63/20/84/1078632084.db2.gz BBSOSXWCAYKWPC-QZTJIDSGSA-N 0 0 413.522 2.685 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(F)(F)F)CC1 ZINC000804605675 1078650811 /nfs/dbraw/zinc/65/08/11/1078650811.db2.gz PWKHKNQMENSPIZ-ZDUSSCGKSA-N 0 0 417.453 2.599 20 30 HFEDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000804825051 1078664045 /nfs/dbraw/zinc/66/40/45/1078664045.db2.gz GPVSYXDILXORAP-UHFFFAOYSA-N 0 0 421.906 2.707 20 30 HFEDRN CCOC(=O)C(F)(F)[C@H]1CCCC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000772844788 1078668698 /nfs/dbraw/zinc/66/86/98/1078668698.db2.gz MXCHYZZPEWDAGT-NSHDSACASA-N 0 0 419.406 2.618 20 30 HFEDRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3F)n(C)c2)C1 ZINC001129715024 1078669569 /nfs/dbraw/zinc/66/95/69/1078669569.db2.gz FMFXAPLEKTVWRI-CYBMUJFWSA-N 0 0 404.467 2.709 20 30 HFEDRN C#Cc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 ZINC001129715349 1078669601 /nfs/dbraw/zinc/66/96/01/1078669601.db2.gz UKOSPGSLOPIEHI-UHFFFAOYSA-N 0 0 401.443 2.975 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000804832604 1078672312 /nfs/dbraw/zinc/67/23/12/1078672312.db2.gz QHRGUBPKOLTIEE-LJQANCHMSA-N 0 0 402.450 2.737 20 30 HFEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)c(F)c1 ZINC000804625812 1078678578 /nfs/dbraw/zinc/67/85/78/1078678578.db2.gz GADJOIIRNLCROY-UHFFFAOYSA-N 0 0 412.450 2.551 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000804835917 1078678686 /nfs/dbraw/zinc/67/86/86/1078678686.db2.gz JYMUULBHVZNTMY-UHFFFAOYSA-N 0 0 402.491 2.888 20 30 HFEDRN C#C[C@H](NC(=O)Cn1nnnc1-c1ccsc1)c1ccc(Br)cc1 ZINC001129731838 1078680470 /nfs/dbraw/zinc/68/04/70/1078680470.db2.gz ZQPHCJDHJGAJOI-AWEZNQCLSA-N 0 0 402.277 2.655 20 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ZINC000804912053 1078735150 /nfs/dbraw/zinc/73/51/50/1078735150.db2.gz OEBFQEUEHRCTHC-UHFFFAOYSA-N 0 0 416.308 2.797 20 30 HFEDRN C#CCCCS(=O)(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1 ZINC000804937160 1078763138 /nfs/dbraw/zinc/76/31/38/1078763138.db2.gz CGJQLWMRDQMCQN-UHFFFAOYSA-N 0 0 411.476 2.773 20 30 HFEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccc(C#N)cc1F ZINC000804945557 1078773178 /nfs/dbraw/zinc/77/31/78/1078773178.db2.gz IYQSIQPPDZYTST-QHCPKHFHSA-N 0 0 419.412 2.906 20 30 HFEDRN C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000804948295 1078777072 /nfs/dbraw/zinc/77/70/72/1078777072.db2.gz OSWPKPZZZMEUBX-NSHDSACASA-N 0 0 418.418 2.891 20 30 HFEDRN C#CCCCS(=O)(=O)N[C@@H](C(=O)Nc1cccc(N2CCCC2)c1)[C@H](C)CC ZINC000804987048 1078791992 /nfs/dbraw/zinc/79/19/92/1078791992.db2.gz QGTRBVPDYHZASC-YLJYHZDGSA-N 0 0 405.564 2.973 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000804988623 1078792837 /nfs/dbraw/zinc/79/28/37/1078792837.db2.gz 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DNSRTBQOLNHWDN-DENIHFKCSA-N 0 0 410.518 2.842 20 30 HFEDRN CC(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](O)c1ccccc1 ZINC000789182187 1077428253 /nfs/dbraw/zinc/42/82/53/1077428253.db2.gz JDKKBRAFHPWERW-RDGPPVDQSA-N 0 0 416.522 2.803 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000789148444 1077434873 /nfs/dbraw/zinc/43/48/73/1077434873.db2.gz YADYMNGYWVAWBX-VQTJNVASSA-N 0 0 401.461 2.771 20 30 HFEDRN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)c1 ZINC000791465191 1077437160 /nfs/dbraw/zinc/43/71/60/1077437160.db2.gz HQUVPOZFRNSYJD-KRWDZBQOSA-N 0 0 422.489 2.670 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)C[C@@H](OCC)C2(C)C)cc1C#N ZINC000789164828 1077439905 /nfs/dbraw/zinc/43/99/05/1077439905.db2.gz YAKSRKPHBNTTLE-UZLBHIALSA-N 0 0 404.467 2.814 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000789166640 1077440581 /nfs/dbraw/zinc/44/05/81/1077440581.db2.gz QEWAQYZOEMHLHF-SFHVURJKSA-N 0 0 415.925 2.607 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H](OC)c2ccccc2F)n1 ZINC000789166444 1077441009 /nfs/dbraw/zinc/44/10/09/1077441009.db2.gz NVFXTFBVAHCCSD-UZLBHIALSA-N 0 0 402.470 2.590 20 30 HFEDRN CC1=C(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)n2ncnc2N1C ZINC000791468922 1077441554 /nfs/dbraw/zinc/44/15/54/1077441554.db2.gz YVNIYFXYJQDKET-OAHLLOKOSA-N 0 0 418.457 2.857 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1 ZINC000789222504 1077449707 /nfs/dbraw/zinc/44/97/07/1077449707.db2.gz CZHGQGQOQAQCQQ-FUHWJXTLSA-N 0 0 403.527 2.693 20 30 HFEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 ZINC000791528709 1077455789 /nfs/dbraw/zinc/45/57/89/1077455789.db2.gz XTBKSGLOZDCXOF-SFHVURJKSA-N 0 0 413.271 2.831 20 30 HFEDRN Cc1ccnc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 ZINC000791530141 1077455791 /nfs/dbraw/zinc/45/57/91/1077455791.db2.gz NTKXHDMOSOGFHD-HAVVHWLPSA-N 0 0 401.492 2.630 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCc3cc(OC)ccc32)n1 ZINC000789196254 1077456297 /nfs/dbraw/zinc/45/62/97/1077456297.db2.gz IURZDMSTEDPCTN-LJQANCHMSA-N 0 0 410.518 2.803 20 30 HFEDRN CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](O)c1ccccc1 ZINC000789243826 1077469008 /nfs/dbraw/zinc/46/90/08/1077469008.db2.gz GUZBOKZJZXGUCC-FKBYEOEOSA-N 0 0 420.513 2.717 20 30 HFEDRN CCc1c(NC(=O)CCNC(=O)C2N=CC=CC2=O)cnn1-c1ccc(Cl)cc1 ZINC000791579038 1077470232 /nfs/dbraw/zinc/47/02/32/1077470232.db2.gz FKGWRCBSKOBMKD-VXPUYCOJSA-N 0 0 413.865 2.943 20 30 HFEDRN C=CCN(CC=C)C(=O)COC(=O)c1nc(Br)ccc1Br ZINC000791554706 1077476723 /nfs/dbraw/zinc/47/67/23/1077476723.db2.gz FMAOSFNHBNDQEV-UHFFFAOYSA-N 0 0 418.085 2.964 20 30 HFEDRN C=CCc1cc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OC ZINC000746793213 1077483291 /nfs/dbraw/zinc/48/32/91/1077483291.db2.gz LUSLSYYZZXRPON-UHFFFAOYSA-N 0 0 412.490 2.999 20 30 HFEDRN COc1ccc(COC(=O)CS(=O)(=O)c2cccc(Br)c2)cc1C#N ZINC000747022454 1077483275 /nfs/dbraw/zinc/48/32/75/1077483275.db2.gz VERHPMGVOXXHPL-UHFFFAOYSA-N 0 0 424.272 2.846 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCc2ccc(OC)c(C#N)c2)ccc1F ZINC000747023808 1077484786 /nfs/dbraw/zinc/48/47/86/1077484786.db2.gz XAQHLLDYCCAFHG-UHFFFAOYSA-N 0 0 404.419 2.527 20 30 HFEDRN CCc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cnn1C(CC)CC ZINC000791617165 1077488406 /nfs/dbraw/zinc/48/84/06/1077488406.db2.gz VBJJMALKFLQAIV-UHFFFAOYSA-N 0 0 417.535 2.874 20 30 HFEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789305760 1077507830 /nfs/dbraw/zinc/50/78/30/1077507830.db2.gz YQTAWTJTUXGTPN-SFHVURJKSA-N 0 0 423.469 2.865 20 30 HFEDRN O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000746798160 1077511612 /nfs/dbraw/zinc/51/16/12/1077511612.db2.gz OOZIZBKRWMFRSM-UHFFFAOYSA-N 0 0 421.460 2.922 20 30 HFEDRN N#C[C@@H](COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)Cc1cccs1 ZINC000772734100 1077512513 /nfs/dbraw/zinc/51/25/13/1077512513.db2.gz MQTRLCDSINNICQ-ZDUSSCGKSA-N 0 0 412.920 2.996 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000789320796 1077517659 /nfs/dbraw/zinc/51/76/59/1077517659.db2.gz HCIVXCRTNHYNOJ-LJQANCHMSA-N 0 0 420.435 2.789 20 30 HFEDRN C#CCn1ccc(CN(CCOC)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000789322554 1077518592 /nfs/dbraw/zinc/51/85/92/1077518592.db2.gz MHLRRHOYRVEHRF-SFHVURJKSA-N 0 0 408.502 2.931 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000789326294 1077521602 /nfs/dbraw/zinc/52/16/02/1077521602.db2.gz RWSNGUMKCBXDCD-OAHLLOKOSA-N 0 0 419.323 2.754 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)Nc2ccccc2Br)n1 ZINC000789326291 1077521615 /nfs/dbraw/zinc/52/16/15/1077521615.db2.gz RWSNGUMKCBXDCD-HNNXBMFYSA-N 0 0 419.323 2.754 20 30 HFEDRN C#CCn1ccc(CN(CC)CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000789329605 1077523208 /nfs/dbraw/zinc/52/32/08/1077523208.db2.gz OPWOTWRKQVSAPV-UHFFFAOYSA-N 0 0 410.337 2.575 20 30 HFEDRN N#C[C@H](COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)Cc1cccs1 ZINC000772734019 1077527316 /nfs/dbraw/zinc/52/73/16/1077527316.db2.gz ASMSIIKFMMGHRV-TZMCWYRMSA-N 0 0 403.416 2.780 20 30 HFEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343786 1077528642 /nfs/dbraw/zinc/52/86/42/1077528642.db2.gz NJRRIJIOXOOYSL-LSDHHAIUSA-N 0 0 413.474 2.990 20 30 HFEDRN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343767 1077528691 /nfs/dbraw/zinc/52/86/91/1077528691.db2.gz NJRRIJIOXOOYSL-CABCVRRESA-N 0 0 413.474 2.990 20 30 HFEDRN COc1cncc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000791688866 1077529184 /nfs/dbraw/zinc/52/91/84/1077529184.db2.gz FLDPTNSUWDTYLD-UHFFFAOYSA-N 0 0 405.414 2.560 20 30 HFEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3nc(Br)ccc3F)C2=O)cc1 ZINC000791697803 1077531976 /nfs/dbraw/zinc/53/19/76/1077531976.db2.gz HOQQNLGBPUHDDI-CQSZACIVSA-N 0 0 417.238 2.780 20 30 HFEDRN C=CC[C@]1(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000791717155 1077537309 /nfs/dbraw/zinc/53/73/09/1077537309.db2.gz HCEVCSCCEJAYLZ-SJKOYZFVSA-N 0 0 408.417 2.942 20 30 HFEDRN CCN1C(=O)c2ccc(C(=O)OCC#Cc3ccccc3Cl)cc2S1(=O)=O ZINC000747036160 1077538196 /nfs/dbraw/zinc/53/81/96/1077538196.db2.gz ZNALQKMRZGEMTG-UHFFFAOYSA-N 0 0 403.843 2.713 20 30 HFEDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCC#Cc1ccccc1Cl ZINC000747037049 1077539800 /nfs/dbraw/zinc/53/98/00/1077539800.db2.gz DEFDZERLDHAUIA-UHFFFAOYSA-N 0 0 422.846 2.512 20 30 HFEDRN C=CCc1cc(C=NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)cc(OC)c1O ZINC000747041578 1077543078 /nfs/dbraw/zinc/54/30/78/1077543078.db2.gz IJUNMQPXEMNXMD-QFIPXVFZSA-N 0 0 409.442 2.939 20 30 HFEDRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H](C2CC2)O1 ZINC000791769942 1077546397 /nfs/dbraw/zinc/54/63/97/1077546397.db2.gz WTQBNTWJEIKAEM-KPAZKSCVSA-N 0 0 420.535 2.531 20 30 HFEDRN C=CC[C@@]1(C(=O)OCCNC(=O)c2ccncc2)CCCN1C(=O)OC(C)(C)C ZINC000791777323 1077548967 /nfs/dbraw/zinc/54/89/67/1077548967.db2.gz TXZKCEHCBSBERN-NRFANRHFSA-N 0 0 403.479 2.700 20 30 HFEDRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000747044842 1077553115 /nfs/dbraw/zinc/55/31/15/1077553115.db2.gz OPNTZUGBAVSYHO-IZCOPSDLSA-N 0 0 422.570 2.971 20 30 HFEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2CCc3ccccc3C2=O)cc1Cl ZINC000789405337 1077562637 /nfs/dbraw/zinc/56/26/37/1077562637.db2.gz XKWNSMZKWVOEHU-INIZCTEOSA-N 0 0 411.845 2.694 20 30 HFEDRN C=CC[C@@]1(C(=O)Oc2ccc(OCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C ZINC000791811680 1077563913 /nfs/dbraw/zinc/56/39/13/1077563913.db2.gz LOUCVKOANYQFDR-NRFANRHFSA-N 0 0 404.463 2.802 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000789474849 1077567613 /nfs/dbraw/zinc/56/76/13/1077567613.db2.gz VSDLEDFBGDXPPY-KRWDZBQOSA-N 0 0 420.444 2.963 20 30 HFEDRN C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H](C2CC2)O1 ZINC000791782250 1077568289 /nfs/dbraw/zinc/56/82/89/1077568289.db2.gz JIWKQOUHLAFZMB-SVRZUBJHSA-N 0 0 420.535 2.531 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000789475510 1077568794 /nfs/dbraw/zinc/56/87/94/1077568794.db2.gz HICKULRQLGHLIH-LJQANCHMSA-N 0 0 410.449 2.755 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC000789476873 1077569187 /nfs/dbraw/zinc/56/91/87/1077569187.db2.gz YLMLMCGZSKRTIP-HNNXBMFYSA-N 0 0 412.450 2.694 20 30 HFEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Oc3ccc4cccnc4c3)C2=O)cc1 ZINC000791850777 1077584093 /nfs/dbraw/zinc/58/40/93/1077584093.db2.gz SLTOGDRZWQNJFA-SFHVURJKSA-N 0 0 400.394 2.917 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)CCCNC(=O)c2cccnc2)C1 ZINC000789473038 1077586424 /nfs/dbraw/zinc/58/64/24/1077586424.db2.gz DABBAWXULUYAJU-LJQANCHMSA-N 0 0 410.449 2.815 20 30 HFEDRN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OCC#Cc1ccccc1Cl ZINC000747046253 1077591980 /nfs/dbraw/zinc/59/19/80/1077591980.db2.gz JCMZRCQSYAAHFB-OAQYLSRUSA-N 0 0 422.868 2.710 20 30 HFEDRN COc1ccc(COC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C#N ZINC000747051586 1077596573 /nfs/dbraw/zinc/59/65/73/1077596573.db2.gz UKPTZAAQZBVIGU-UHFFFAOYSA-N 0 0 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O=C(C#Cc1ccc2c(c1)OCO2)N1CCOc2c(Br)cccc2C1 ZINC000792529252 1077887994 /nfs/dbraw/zinc/88/79/94/1077887994.db2.gz XTAUEINAERSVOK-UHFFFAOYSA-N 0 0 400.228 2.951 20 30 HFEDRN COc1ccc(CNC(=O)COc2ccc(I)cc2)cc1C#N ZINC000746869040 1077889814 /nfs/dbraw/zinc/88/98/14/1077889814.db2.gz PKUAHEVZOXVVDL-UHFFFAOYSA-N 0 0 422.222 2.867 20 30 HFEDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000792535518 1077891508 /nfs/dbraw/zinc/89/15/08/1077891508.db2.gz SRPIZOJGDHOPFU-MRCUWXFGSA-N 0 0 413.474 2.816 20 30 HFEDRN Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2cccc3c2OCCO3)n1 ZINC000789990942 1077892321 /nfs/dbraw/zinc/89/23/21/1077892321.db2.gz MMMZMTDYLLYAPY-UHFFFAOYSA-N 0 0 419.470 2.626 20 30 HFEDRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000746871646 1077902388 /nfs/dbraw/zinc/90/23/88/1077902388.db2.gz BPXNJCWSBCJCSX-AWEZNQCLSA-N 0 0 401.488 2.574 20 30 HFEDRN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(I)c1 ZINC000790030567 1077919877 /nfs/dbraw/zinc/91/98/77/1077919877.db2.gz 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PDZWDOOXHWXALP-UHFFFAOYSA-N 0 0 417.465 2.854 20 30 HFEDRN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792911881 1078024071 /nfs/dbraw/zinc/02/40/71/1078024071.db2.gz IYUVNJOXIGXVFD-NSHDSACASA-N 0 0 407.268 2.666 20 30 HFEDRN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000792914458 1078024431 /nfs/dbraw/zinc/02/44/31/1078024431.db2.gz VLADIJXJDUVGKT-MOPGFXCFSA-N 0 0 411.506 2.619 20 30 HFEDRN C=CCn1c(-c2ccccn2)nn(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1=S ZINC000790400999 1078026130 /nfs/dbraw/zinc/02/61/30/1078026130.db2.gz NAIGRMYXRSVLGH-TWOQFEAHSA-N 0 0 401.536 2.888 20 30 HFEDRN COc1ccccc1-c1ncc(C=Nn2cnc3c(cnn3-c3ccccc3)c2=O)cn1 ZINC000792924663 1078026962 /nfs/dbraw/zinc/02/69/62/1078026962.db2.gz OEVXEVWNZZSFGK-UHFFFAOYSA-N 0 0 423.436 2.930 20 30 HFEDRN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000792927682 1078027396 /nfs/dbraw/zinc/02/73/96/1078027396.db2.gz KYZJZACDXXSLJF-LBPRGKRZSA-N 0 0 400.426 2.872 20 30 HFEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccsc3)c2=O)cn1 ZINC000790432835 1078029212 /nfs/dbraw/zinc/02/92/12/1078029212.db2.gz ABAOVFXMQOUVCC-UHFFFAOYSA-N 0 0 424.551 2.610 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccc(F)c3cccnc23)c(=O)n1-c1ccsc1 ZINC000790434068 1078029517 /nfs/dbraw/zinc/02/95/17/1078029517.db2.gz MUOALAFERKHEPW-UHFFFAOYSA-N 0 0 404.451 2.674 20 30 HFEDRN Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(-c2ccsc2)c1=O ZINC000790435259 1078030239 /nfs/dbraw/zinc/03/02/39/1078030239.db2.gz ZCISYMZYPSWUFP-UHFFFAOYSA-N 0 0 415.565 2.844 20 30 HFEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccsc1 ZINC000790435228 1078030287 /nfs/dbraw/zinc/03/02/87/1078030287.db2.gz ZIGWTQPBTPCZPJ-NSHDSACASA-N 0 0 415.565 2.844 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1-c1ccsc1 ZINC000790437926 1078030709 /nfs/dbraw/zinc/03/07/09/1078030709.db2.gz LTHJCENJBUSKGE-UHFFFAOYSA-N 0 0 405.504 2.776 20 30 HFEDRN CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000790437836 1078030805 /nfs/dbraw/zinc/03/08/05/1078030805.db2.gz IVWSVFCMMXUFQT-SNAWJCMRSA-N 0 0 419.425 2.936 20 30 HFEDRN CCC[C@]1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCOC1 ZINC000806219166 1079504198 /nfs/dbraw/zinc/50/41/98/1079504198.db2.gz FTSKAXZLFNCKFJ-WXNAFCGMSA-N 0 0 408.524 2.580 20 30 HFEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCSC2)cc1 ZINC000806219679 1079504680 /nfs/dbraw/zinc/50/46/80/1079504680.db2.gz LUBYVTZDRMPJIQ-HGNXGAGXSA-N 0 0 410.565 2.764 20 30 HFEDRN CC(C)[C@H](CO)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000806225916 1079508558 /nfs/dbraw/zinc/50/85/58/1079508558.db2.gz XSIXGGAASIGHLA-JJXNMMKVSA-N 0 0 424.567 2.666 20 30 HFEDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000806240793 1079517803 /nfs/dbraw/zinc/51/78/03/1079517803.db2.gz SSTRUZWFZKRQKM-OAQYLSRUSA-N 0 0 405.502 2.835 20 30 HFEDRN CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NCCn3cnc(C#N)n3)ccc21 ZINC000806260894 1079526876 /nfs/dbraw/zinc/52/68/76/1079526876.db2.gz WLXQTSIWNKBRFF-UHFFFAOYSA-N 0 0 411.466 2.659 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 ZINC000806270122 1079532345 /nfs/dbraw/zinc/53/23/45/1079532345.db2.gz SAAJRYDOMWEFJT-LJQANCHMSA-N 0 0 400.500 2.863 20 30 HFEDRN COc1ccc(CNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1C#N ZINC000747313434 1079548985 /nfs/dbraw/zinc/54/89/85/1079548985.db2.gz PYEFDCLKGGWLFC-UHFFFAOYSA-N 0 0 407.409 2.881 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000806292489 1079581348 /nfs/dbraw/zinc/58/13/48/1079581348.db2.gz OBGZRYILOZLBKL-MRXNPFEDSA-N 0 0 403.479 2.832 20 30 HFEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2ccc3oc(=O)[nH]c3c2)n1 ZINC000806408700 1079696994 /nfs/dbraw/zinc/69/69/94/1079696994.db2.gz IIZKIVQTHJPBBK-UHFFFAOYSA-N 0 0 414.472 2.899 20 30 HFEDRN COC(=O)NCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC000806458960 1079732151 /nfs/dbraw/zinc/73/21/51/1079732151.db2.gz RNDCUQQVUULOSU-ZDUSSCGKSA-N 0 0 416.459 2.872 20 30 HFEDRN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[nH]n1 ZINC000806460239 1079733218 /nfs/dbraw/zinc/73/32/18/1079733218.db2.gz OJKMDCYFXPSLMU-CYBMUJFWSA-N 0 0 407.499 2.682 20 30 HFEDRN Cc1cc(C[C@H](C)NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[nH]n1 ZINC000806460240 1079733320 /nfs/dbraw/zinc/73/33/20/1079733320.db2.gz OJKMDCYFXPSLMU-ZDUSSCGKSA-N 0 0 407.499 2.682 20 30 HFEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000806461788 1079734825 /nfs/dbraw/zinc/73/48/25/1079734825.db2.gz VSYQBXZRROHMML-UONOGXRCSA-N 0 0 424.523 2.749 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000806494140 1079744739 /nfs/dbraw/zinc/74/47/39/1079744739.db2.gz LQHFWLCTISVTPO-NRFANRHFSA-N 0 0 404.514 2.733 20 30 HFEDRN C#CCC(CC#C)C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000806502746 1079753810 /nfs/dbraw/zinc/75/38/10/1079753810.db2.gz OAPDHHAXHGBSBD-UHFFFAOYSA-N 0 0 404.489 2.826 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000806488362 1079773011 /nfs/dbraw/zinc/77/30/11/1079773011.db2.gz FOQPOFNGNBBSBO-UHFFFAOYSA-N 0 0 405.498 2.732 20 30 HFEDRN C#Cc1cncc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 ZINC000806533716 1079806755 /nfs/dbraw/zinc/80/67/55/1079806755.db2.gz DQFAHRQPSKZZJU-UHFFFAOYSA-N 0 0 423.469 2.611 20 30 HFEDRN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccc(C#N)nc1 ZINC001130660524 1079807442 /nfs/dbraw/zinc/80/74/42/1079807442.db2.gz HDHBYCOZABOLIP-UHFFFAOYSA-N 0 0 418.478 2.981 20 30 HFEDRN C=CCCSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001130678815 1079810478 /nfs/dbraw/zinc/81/04/78/1079810478.db2.gz PUMMNIXWDXTNNZ-HNNXBMFYSA-N 0 0 400.541 2.652 20 30 HFEDRN Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(F)c(S(N)(=O)=O)c2)cc1 ZINC000806566811 1079825529 /nfs/dbraw/zinc/82/55/29/1079825529.db2.gz PGMUIZOEFQEKGQ-YCRREMRBSA-N 0 0 415.446 2.682 20 30 HFEDRN N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000747336840 1079830811 /nfs/dbraw/zinc/83/08/11/1079830811.db2.gz WNJPEAQYZLZTEY-FQEVSTJZSA-N 0 0 402.498 2.692 20 30 HFEDRN N#CCCn1cc(C(=O)NCCO[C@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001130690361 1079851494 /nfs/dbraw/zinc/85/14/94/1079851494.db2.gz NVRRUEMOUGVFTM-HNNXBMFYSA-N 0 0 405.361 2.526 20 30 HFEDRN C#Cc1cccc(NC(=S)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)c1 ZINC000806590609 1079863588 /nfs/dbraw/zinc/86/35/88/1079863588.db2.gz GYEWDEIDUJREKQ-LJQANCHMSA-N 0 0 409.511 2.773 20 30 HFEDRN C=CCc1cc(CNC(=O)N2CCCC[C@@H]2COC(=O)NC)cc(OC)c1OC ZINC000806643529 1079899596 /nfs/dbraw/zinc/89/95/96/1079899596.db2.gz GZJKCPOIBJNDJQ-QGZVFWFLSA-N 0 0 405.495 2.852 20 30 HFEDRN N#Cc1cccnc1NCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000806673354 1079906897 /nfs/dbraw/zinc/90/68/97/1079906897.db2.gz GALKVPXFSZTBPD-UHFFFAOYSA-N 0 0 412.251 2.893 20 30 HFEDRN COc1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000747343577 1079912647 /nfs/dbraw/zinc/91/26/47/1079912647.db2.gz YOHYOJCIFHERAX-HNNXBMFYSA-N 0 0 420.425 2.702 20 30 HFEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000806708996 1079938259 /nfs/dbraw/zinc/93/82/59/1079938259.db2.gz CXEIJAWUIAIMPP-GTPZEUEISA-N 0 0 416.518 2.648 20 30 HFEDRN C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 ZINC000806712908 1079941160 /nfs/dbraw/zinc/94/11/60/1079941160.db2.gz DRZRKTXLPFLGPS-UHFFFAOYSA-N 0 0 414.412 2.543 20 30 HFEDRN C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806737463 1079964147 /nfs/dbraw/zinc/96/41/47/1079964147.db2.gz PIJDBIZZSICMRR-OAHLLOKOSA-N 0 0 416.497 2.849 20 30 HFEDRN C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806768945 1079989146 /nfs/dbraw/zinc/98/91/46/1079989146.db2.gz ACBGCBCJJDYLDP-OAHLLOKOSA-N 0 0 413.522 2.541 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc(C#N)ccn3)nc2)CC1 ZINC000806742540 1079996520 /nfs/dbraw/zinc/99/65/20/1079996520.db2.gz NLHAIFHLSGAMRR-UHFFFAOYSA-N 0 0 408.462 2.658 20 30 HFEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1CCCN1C(=O)C(F)(F)F 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2.780 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000790842481 1078143844 /nfs/dbraw/zinc/14/38/44/1078143844.db2.gz HCKXLOWFXHSGKG-UHFFFAOYSA-N 0 0 401.868 2.687 20 30 HFEDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(OCC#N)cc2)c(C)c1[N+](=O)[O-] ZINC000790840827 1078143895 /nfs/dbraw/zinc/14/38/95/1078143895.db2.gz YTJMZGIDHVBDRX-UHFFFAOYSA-N 0 0 420.403 2.501 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)CC1 ZINC000790844481 1078145468 /nfs/dbraw/zinc/14/54/68/1078145468.db2.gz RRCFVWIXAWVDJJ-UHFFFAOYSA-N 0 0 413.474 2.996 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 ZINC000790845233 1078146031 /nfs/dbraw/zinc/14/60/31/1078146031.db2.gz NETKNJIACFNMEN-OAHLLOKOSA-N 0 0 404.438 2.817 20 30 HFEDRN CN(C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1)C(=O)OC(C)(C)C ZINC000790847512 1078146764 /nfs/dbraw/zinc/14/67/64/1078146764.db2.gz XOJVGKSLGXWCTD-OAHLLOKOSA-N 0 0 411.499 2.716 20 30 HFEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000790846849 1078146815 /nfs/dbraw/zinc/14/68/15/1078146815.db2.gz JKUPBXLWTRPLIU-JTQLQIEISA-N 0 0 421.686 2.510 20 30 HFEDRN N#Cc1ccc(CS(=O)(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000790847970 1078147406 /nfs/dbraw/zinc/14/74/06/1078147406.db2.gz FBKTUQBYFPPYTN-INIZCTEOSA-N 0 0 418.368 2.749 20 30 HFEDRN N#Cc1ccc(CNC(=O)NCc2nc(-c3cccc(Br)c3)no2)nc1 ZINC000790816928 1078153946 /nfs/dbraw/zinc/15/39/46/1078153946.db2.gz GKWDQDHRVOEFMP-UHFFFAOYSA-N 0 0 413.235 2.765 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)c2cccc(-c3nnc(COC)o3)c2)CC1 ZINC000790854763 1078151723 /nfs/dbraw/zinc/15/17/23/1078151723.db2.gz IHKRVKYHRXKDDM-UHFFFAOYSA-N 0 0 401.419 2.827 20 30 HFEDRN N#Cc1cc(Br)cc(COC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)c1 ZINC000790855956 1078151920 /nfs/dbraw/zinc/15/19/20/1078151920.db2.gz UYVHABRUKZDVIF-NEPJUHHUSA-N 0 0 405.170 2.821 20 30 HFEDRN N#Cc1cc(Br)cc(COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 ZINC000790855962 1078152187 /nfs/dbraw/zinc/15/21/87/1078152187.db2.gz VEBMBZKWNKAALW-LLVKDONJSA-N 0 0 405.170 2.775 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000793380599 1078154691 /nfs/dbraw/zinc/15/46/91/1078154691.db2.gz XCCWPWQOKLNDCN-FUHWJXTLSA-N 0 0 410.495 2.682 20 30 HFEDRN C=CC[C@]1(C(=O)N[C@H]2CCCc3c2cnn3CCO)CCCN1C(=O)OC(C)(C)C ZINC000790821004 1078155851 /nfs/dbraw/zinc/15/58/51/1078155851.db2.gz DQBPOQLLCDUEBN-HTAPYJJXSA-N 0 0 418.538 2.715 20 30 HFEDRN Cc1cc(F)c(Br)cc1S(=O)(=O)NCCNc1ncccc1C#N ZINC000790835177 1078161560 /nfs/dbraw/zinc/16/15/60/1078161560.db2.gz HODKMXMVOUVRFB-UHFFFAOYSA-N 0 0 413.272 2.554 20 30 HFEDRN C#C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCCO1 ZINC000790834797 1078161800 /nfs/dbraw/zinc/16/18/00/1078161800.db2.gz NWZGYANFQHQWPE-ZBFHGGJFSA-N 0 0 408.252 2.606 20 30 HFEDRN C=CC[C@@]1(C(=O)N(C)Cc2cnc(N(C)C)nc2)CCCN1C(=O)OC(C)(C)C ZINC000790868069 1078165367 /nfs/dbraw/zinc/16/53/67/1078165367.db2.gz OXTUOCUMWRLPDH-NRFANRHFSA-N 0 0 403.527 2.847 20 30 HFEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000793433379 1078171324 /nfs/dbraw/zinc/17/13/24/1078171324.db2.gz FYEFDQGSQBXUNM-YJBOKZPZSA-N 0 0 406.324 2.975 20 30 HFEDRN C=CC[C@]1(C(=O)N2CCN(c3ncc(F)cn3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790888437 1078171902 /nfs/dbraw/zinc/17/19/02/1078171902.db2.gz IOJXSLUWOMFIPJ-OAQYLSRUSA-N 0 0 419.501 2.610 20 30 HFEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ncc(C(C)(C)C)s1 ZINC000790887865 1078171926 /nfs/dbraw/zinc/17/19/26/1078171926.db2.gz GTTMZHRDRBNEOC-LBPRGKRZSA-N 0 0 407.517 2.722 20 30 HFEDRN COCC1(C(=O)NCc2ccc(C#N)cc2F)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793443252 1078173043 /nfs/dbraw/zinc/17/30/43/1078173043.db2.gz ZTMJZBSRFMALOL-UHFFFAOYSA-N 0 0 405.470 2.977 20 30 HFEDRN C=CC[C@]1(C(=O)N[C@H](CC(F)(F)F)C(=O)OC)CCCN1C(=O)OC(C)(C)C ZINC000790895500 1078175148 /nfs/dbraw/zinc/17/51/48/1078175148.db2.gz GIQRVSXYVOGUET-SJKOYZFVSA-N 0 0 408.417 2.942 20 30 HFEDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)c3ccccc3OCC#N)c2)C1=O ZINC000793482509 1078189011 /nfs/dbraw/zinc/18/90/11/1078189011.db2.gz ZIAPFGPUWLIWHS-HSZRJFAPSA-N 0 0 418.453 2.744 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)o1 ZINC000793512679 1078195902 /nfs/dbraw/zinc/19/59/02/1078195902.db2.gz LTOYEOOMZDCCQR-INIZCTEOSA-N 0 0 417.510 2.587 20 30 HFEDRN C=CCOc1ccc(C=CC(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)cc1OC ZINC000747128997 1078201770 /nfs/dbraw/zinc/20/17/70/1078201770.db2.gz ISYYXGWXMOPWBZ-SYJIQKIWSA-N 0 0 423.469 2.667 20 30 HFEDRN N#Cc1c(=O)n(CN2CCc3c(cccc3N3CCOC3=O)C2)cc2c1CCCC2 ZINC000793501950 1078204167 /nfs/dbraw/zinc/20/41/67/1078204167.db2.gz BQFJVJQEQPJEBM-UHFFFAOYSA-N 0 0 404.470 2.571 20 30 HFEDRN COC(=O)Nc1ccc(CCNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000793534290 1078205781 /nfs/dbraw/zinc/20/57/81/1078205781.db2.gz QFECDXPZKBQFBV-UHFFFAOYSA-N 0 0 411.462 2.608 20 30 HFEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793589437 1078217064 /nfs/dbraw/zinc/21/70/64/1078217064.db2.gz JVDYOAVBCFGHTK-MRXNPFEDSA-N 0 0 407.909 2.957 20 30 HFEDRN N#Cc1ccc(O[C@H]2CCN(Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)C2)nc1 ZINC000793590941 1078217403 /nfs/dbraw/zinc/21/74/03/1078217403.db2.gz NFWBXIYIIZTNBQ-AWEZNQCLSA-N 0 0 405.380 2.517 20 30 HFEDRN N#Cc1ccc(O[C@H]2CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C2)nc1 ZINC000793604845 1078222638 /nfs/dbraw/zinc/22/26/38/1078222638.db2.gz BVBGWOXAHADYTH-LBPRGKRZSA-N 0 0 417.252 2.967 20 30 HFEDRN COc1ccccc1-n1cnn(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793607463 1078224310 /nfs/dbraw/zinc/22/43/10/1078224310.db2.gz QBWHRXGQXZZDOA-MRXNPFEDSA-N 0 0 408.487 2.789 20 30 HFEDRN N#Cc1ccncc1N1CCN(CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000793672934 1078248434 /nfs/dbraw/zinc/24/84/34/1078248434.db2.gz KFEYFOXBBBCLKN-UHFFFAOYSA-N 0 0 401.392 2.708 20 30 HFEDRN C=CCc1cc([C@H]2NC(=S)N(CC=C)C(C)=C2C(=O)N(C)C)cc(OC)c1O ZINC000747138753 1078249823 /nfs/dbraw/zinc/24/98/23/1078249823.db2.gz HRCRFIDFOCXHHN-GOSISDBHSA-N 0 0 401.532 2.909 20 30 HFEDRN C=CCc1cc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)OC)=C2C(C)=O)cc(OC)c1O ZINC000747139867 1078251798 /nfs/dbraw/zinc/25/17/98/1078251798.db2.gz PZEVQDQJUMLRLW-SFHVURJKSA-N 0 0 414.458 2.622 20 30 HFEDRN C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](CS(C)(=O)=O)C2)c1=S ZINC000793700391 1078273252 /nfs/dbraw/zinc/27/32/52/1078273252.db2.gz RSHTXYKYDJUXMI-HNNXBMFYSA-N 0 0 422.576 2.600 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(N4C(=S)N=NC4C)c3)CC2)o1 ZINC000793739272 1078286223 /nfs/dbraw/zinc/28/62/23/1078286223.db2.gz FQGBAFHFZYYMQX-UHFFFAOYSA-N 0 0 423.502 2.888 20 30 HFEDRN C=CC[C@]1(C(=O)Nc2cnn(CC(=O)OC)c2C)CCCN1C(=O)OC(C)(C)C ZINC000793851330 1078323461 /nfs/dbraw/zinc/32/34/61/1078323461.db2.gz JVWXNIZNXSUWSC-HXUWFJFHSA-N 0 0 406.483 2.649 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCOCC1)c1ccncc1 ZINC000793932092 1078341671 /nfs/dbraw/zinc/34/16/71/1078341671.db2.gz HGXHQOFLECPYOI-FQEVSTJZSA-N 0 0 411.477 2.819 20 30 HFEDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1)c1cccc(C#N)c1 ZINC000793919864 1078338302 /nfs/dbraw/zinc/33/83/02/1078338302.db2.gz OUSPJOXDZGBRMM-INIZCTEOSA-N 0 0 404.470 2.569 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(Br)c3O)CC2)o1 ZINC000793968431 1078349138 /nfs/dbraw/zinc/34/91/38/1078349138.db2.gz KHHMISXVCAVHMV-UHFFFAOYSA-N 0 0 419.279 2.856 20 30 HFEDRN C=C(Br)CNC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000793943093 1078353652 /nfs/dbraw/zinc/35/36/52/1078353652.db2.gz UBBFYELKSSCEIX-UHFFFAOYSA-N 0 0 415.715 2.529 20 30 HFEDRN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000793947409 1078355043 /nfs/dbraw/zinc/35/50/43/1078355043.db2.gz DKEVUJICOULFOW-RTBURBONSA-N 0 0 411.550 2.571 20 30 HFEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(C)nn(C)c3nc2C)C1=O ZINC000793986259 1078356921 /nfs/dbraw/zinc/35/69/21/1078356921.db2.gz INAWSSUORRXVSL-NRFANRHFSA-N 0 0 414.510 2.901 20 30 HFEDRN Cc1cc(NC(=O)C2CN(CC(F)(F)F)C2)c(C(=O)NCC(F)(F)F)cc1F ZINC000793990317 1078357920 /nfs/dbraw/zinc/35/79/20/1078357920.db2.gz XBGPQEAPCYVDNX-UHFFFAOYSA-N 0 0 415.309 2.859 20 30 HFEDRN CCOc1cc(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000794039229 1078363979 /nfs/dbraw/zinc/36/39/79/1078363979.db2.gz ATZCRIPEPDJCQI-UHFFFAOYSA-N 0 0 424.457 2.787 20 30 HFEDRN Cc1cc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c(C(=O)NCC(F)(F)F)cc1F ZINC000794000865 1078360061 /nfs/dbraw/zinc/36/00/61/1078360061.db2.gz OWNVGZVBEAURPN-MRXNPFEDSA-N 0 0 409.339 2.970 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N(C)C(=O)NCC)c2)c1 ZINC000794110171 1078373433 /nfs/dbraw/zinc/37/34/33/1078373433.db2.gz DECANCZZYMCENY-UHFFFAOYSA-N 0 0 416.503 2.569 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N(C)C(=O)NCC)c3)cc2C1=O ZINC000794115168 1078374177 /nfs/dbraw/zinc/37/41/77/1078374177.db2.gz ZPRCTIGIYDKVHF-UHFFFAOYSA-N 0 0 406.442 2.887 20 30 HFEDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000794161295 1078378901 /nfs/dbraw/zinc/37/89/01/1078378901.db2.gz NTOSLHHTAAGDCN-AOMKIAJQSA-N 0 0 415.490 2.822 20 30 HFEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)COC(=O)c2ccc(C(N)=O)o2)c1C#N ZINC000747181516 1078387104 /nfs/dbraw/zinc/38/71/04/1078387104.db2.gz PMWZRMPPWRQKFX-UHFFFAOYSA-N 0 0 424.388 2.592 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c1 ZINC000794223098 1078387152 /nfs/dbraw/zinc/38/71/52/1078387152.db2.gz RMSRETSBKPQKIB-UHFFFAOYSA-N 0 0 405.907 2.565 20 30 HFEDRN C#CCOc1ccc(C(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)cc1 ZINC000794266735 1078396571 /nfs/dbraw/zinc/39/65/71/1078396571.db2.gz VVSYLKFXDFTGTH-UHFFFAOYSA-N 0 0 403.438 2.991 20 30 HFEDRN CCOC(=O)C(F)(F)[C@H]1CCCC(=NNS(=O)(=O)CCc2ccccc2)C1 ZINC000772844413 1078392070 /nfs/dbraw/zinc/39/20/70/1078392070.db2.gz HGZMSKHBNZMPQY-HNNXBMFYSA-N 0 0 402.463 2.893 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000794209455 1078393599 /nfs/dbraw/zinc/39/35/99/1078393599.db2.gz COPUCQHEDBZFBA-UHFFFAOYSA-N 0 0 419.441 2.585 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000794278933 1078399389 /nfs/dbraw/zinc/39/93/89/1078399389.db2.gz HMTKGEAFGHNBIJ-APWZRJJASA-N 0 0 400.475 2.803 20 30 HFEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000794286480 1078401272 /nfs/dbraw/zinc/40/12/72/1078401272.db2.gz WPQHPCJTSHIRNZ-DOTOQJQBSA-N 0 0 415.490 2.707 20 30 HFEDRN CC1(C)CN(C(=O)CCNC(=O)C2N=CC=CC2=O)c2ccc(Br)cc21 ZINC000804382032 1078440847 /nfs/dbraw/zinc/44/08/47/1078440847.db2.gz VWSORQSRRDLNOP-ZCXUNETKSA-N 0 0 418.291 2.990 20 30 HFEDRN C#CCCOc1ccc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001129413852 1078446283 /nfs/dbraw/zinc/44/62/83/1078446283.db2.gz RQYORWCPKYJEGX-UHFFFAOYSA-N 0 0 400.475 2.551 20 30 HFEDRN C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)c1ccc(Cl)cc1F ZINC000804415405 1078461370 /nfs/dbraw/zinc/46/13/70/1078461370.db2.gz FYCFSSIGGPRXOY-QGZVFWFLSA-N 0 0 412.845 2.973 20 30 HFEDRN Cc1cc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(C#N)cc1N(C)C 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Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000792195585 1077740831 /nfs/dbraw/zinc/74/08/31/1077740831.db2.gz WARBBMLTMHKNJW-QFIPXVFZSA-N 0 0 407.495 2.824 20 30 HFEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2cc3c[nH]nc3cc2C)ccc1OC ZINC000792229405 1077753770 /nfs/dbraw/zinc/75/37/70/1077753770.db2.gz BYAPTFUPFIGLHT-INIZCTEOSA-N 0 0 421.457 2.816 20 30 HFEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000789725226 1077760318 /nfs/dbraw/zinc/76/03/18/1077760318.db2.gz YBKNEYBNTIECJC-MRXNPFEDSA-N 0 0 402.495 2.635 20 30 HFEDRN COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)c1 ZINC000789758723 1077764756 /nfs/dbraw/zinc/76/47/56/1077764756.db2.gz GRMAFUARZSNNMT-HNNXBMFYSA-N 0 0 401.282 2.548 20 30 HFEDRN C#CCn1ccc(CN(CCOC)Cc2c(Br)cc(OC)cc2OC)n1 ZINC000789761024 1077765487 /nfs/dbraw/zinc/76/54/87/1077765487.db2.gz UXWCPNWAUTWPQG-UHFFFAOYSA-N 0 0 422.323 2.945 20 30 HFEDRN COC(=O)N(C)Cc1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000789769683 1077771105 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2.693 20 30 HFEDRN N#Cc1cc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1F ZINC000792305377 1077798217 /nfs/dbraw/zinc/79/82/17/1077798217.db2.gz JPVDVYHRLVJLRM-GOSISDBHSA-N 0 0 410.401 2.989 20 30 HFEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000747066090 1077798498 /nfs/dbraw/zinc/79/84/98/1077798498.db2.gz LPDAKSKGXZAQOM-YOEHRIQHSA-N 0 0 401.463 2.710 20 30 HFEDRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000792307107 1077799544 /nfs/dbraw/zinc/79/95/44/1077799544.db2.gz OOJFLQUDIORCCW-UHFFFAOYSA-N 0 0 410.810 2.550 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)n1 ZINC000789794185 1077800124 /nfs/dbraw/zinc/80/01/24/1077800124.db2.gz XIFMREDFBZAJLN-UHFFFAOYSA-N 0 0 403.442 2.691 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(NC(=O)CC)ccc2Cl)n1 ZINC000789794409 1077800170 /nfs/dbraw/zinc/80/01/70/1077800170.db2.gz CGMDFGUYZVVXBZ-UHFFFAOYSA-N 0 0 415.881 2.505 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)n1 ZINC000789794133 1077800772 /nfs/dbraw/zinc/80/07/72/1077800772.db2.gz XYHDGPXVRJFODR-UHFFFAOYSA-N 0 0 412.465 2.964 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2nc3c(s2)C[C@H](CCC)CC3)n1 ZINC000789794037 1077800796 /nfs/dbraw/zinc/80/07/96/1077800796.db2.gz VTDUVEHQIKFUJC-OAHLLOKOSA-N 0 0 413.547 2.865 20 30 HFEDRN N#CCN1CCC[C@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000792348567 1077810820 /nfs/dbraw/zinc/81/08/20/1077810820.db2.gz PKZDGHHXCVZBJB-SNVBAGLBSA-N 0 0 416.117 2.572 20 30 HFEDRN CC(=O)OC(C)(C)C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000792364122 1077816049 /nfs/dbraw/zinc/81/60/49/1077816049.db2.gz CNJXVTFBTNVETI-UHFFFAOYSA-N 0 0 415.421 2.928 20 30 HFEDRN Cc1nc2c(cccc2-c2noc(CCCN=C3NS(=O)(=O)c4ccccc43)n2)[nH]1 ZINC000789843654 1077818125 /nfs/dbraw/zinc/81/81/25/1077818125.db2.gz NBSKWBANPGWKMZ-UHFFFAOYSA-N 0 0 422.470 2.593 20 30 HFEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789846617 1077818445 /nfs/dbraw/zinc/81/84/45/1077818445.db2.gz DDKMCSIVQQLHBS-HNNXBMFYSA-N 0 0 408.462 2.643 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1C#N ZINC000789809891 1077820819 /nfs/dbraw/zinc/82/08/19/1077820819.db2.gz YVWPQKOTTRFGPJ-FUHWJXTLSA-N 0 0 410.405 2.877 20 30 HFEDRN COc1cc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)ccc1S(C)(=O)=O ZINC000747067388 1077822846 /nfs/dbraw/zinc/82/28/46/1077822846.db2.gz WMPSNBQVFGJBBY-DAXSKMNVSA-N 0 0 401.419 2.715 20 30 HFEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000792402430 1077836791 /nfs/dbraw/zinc/83/67/91/1077836791.db2.gz WOZHJHSWGXDWSX-HJPURHCSSA-N 0 0 412.461 2.522 20 30 HFEDRN COc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC(C)C)c1 ZINC000789850154 1077838524 /nfs/dbraw/zinc/83/85/24/1077838524.db2.gz LSPIEVYGNOQERA-YOEHRIQHSA-N 0 0 403.479 2.971 20 30 HFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1CC(OCC)C1 ZINC000789855337 1077839476 /nfs/dbraw/zinc/83/94/76/1077839476.db2.gz KZIYIILMJPRFNH-HTWSVDAQSA-N 0 0 421.563 2.605 20 30 HFEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1nc2cccnc2s1 ZINC000792382535 1077847058 /nfs/dbraw/zinc/84/70/58/1077847058.db2.gz XFPMIBJVDVBTQC-UHFFFAOYSA-N 0 0 404.411 2.544 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000792450388 1077855172 /nfs/dbraw/zinc/85/51/72/1077855172.db2.gz QQOJNGNFJAJIED-AWEZNQCLSA-N 0 0 403.280 2.800 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000792452692 1077856104 /nfs/dbraw/zinc/85/61/04/1077856104.db2.gz MMILZPAPJVRTDZ-OAHLLOKOSA-N 0 0 403.280 2.551 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(Br)ccc1OCCOCC ZINC000792452339 1077856187 /nfs/dbraw/zinc/85/61/87/1077856187.db2.gz IZWXZJWKXCQWTM-AWEZNQCLSA-N 0 0 411.296 2.721 20 30 HFEDRN C=Cn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC2CC2)cn1 ZINC000789969147 1077875599 /nfs/dbraw/zinc/87/55/99/1077875599.db2.gz UMAAZZIFFHFYHH-UHFFFAOYSA-N 0 0 413.528 2.862 20 30 HFEDRN C=CCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(C=C)c1 ZINC000789969416 1077876308 /nfs/dbraw/zinc/87/63/08/1077876308.db2.gz FYOSTKXUVVMOHT-UHFFFAOYSA-N 0 0 413.528 2.886 20 30 HFEDRN CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cccc([N+](=O)[O-])c1 ZINC000789982468 1077883229 /nfs/dbraw/zinc/88/32/29/1077883229.db2.gz CWJDPMLHPPPNOZ-UHFFFAOYSA-N 0 0 416.484 2.941 20 30 HFEDRN CCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccccc2OC)cn1 ZINC000789984786 1077885669 /nfs/dbraw/zinc/88/56/69/1077885669.db2.gz UAEYOJNICXTWQG-UHFFFAOYSA-N 0 0 408.491 2.685 20 30 HFEDRN Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2ccc3c(c2)CCO3)n1 ZINC000789990868 1077892078 /nfs/dbraw/zinc/89/20/78/1077892078.db2.gz LEKUJXOKZKFKME-UHFFFAOYSA-N 0 0 403.471 2.790 20 30 HFEDRN COc1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccccn2)ccc1C#N ZINC000789990941 1077892359 /nfs/dbraw/zinc/89/23/59/1077892359.db2.gz MMMUSZBAOSFWBE-UHFFFAOYSA-N 0 0 416.470 2.735 20 30 HFEDRN C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2N=Cc2cnn(CC)c2)c1 ZINC000789992138 1077892820 /nfs/dbraw/zinc/89/28/20/1077892820.db2.gz UYNXSEBMHOBUCB-UHFFFAOYSA-N 0 0 402.487 2.657 20 30 HFEDRN C=CC[C@@]1(C(=O)Nc2nnc(C(=O)OCC)s2)CCCN1C(=O)OC(C)(C)C ZINC000792538902 1077892974 /nfs/dbraw/zinc/89/29/74/1077892974.db2.gz KMKHXBLVZNMYSD-SFHVURJKSA-N 0 0 410.496 2.999 20 30 HFEDRN CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnc(Cl)c(C)c1 ZINC000789991794 1077893176 /nfs/dbraw/zinc/89/31/76/1077893176.db2.gz OZSRDHMGHQHPGZ-UHFFFAOYSA-N 0 0 407.956 2.848 20 30 HFEDRN COc1cc([C@@H](C#N)NC(=O)c2nc(Br)cs2)cc(OC)c1OC ZINC000792545126 1077898558 /nfs/dbraw/zinc/89/85/58/1077898558.db2.gz DMUQFWPEWVEYNV-SECBINFHSA-N 0 0 412.265 2.926 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCCCOC)c2ccccc2)cc1 ZINC000792554533 1077901734 /nfs/dbraw/zinc/90/17/34/1077901734.db2.gz DRUDWVOFWLMTLH-OAQYLSRUSA-N 0 0 414.527 2.886 20 30 HFEDRN COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C#N ZINC000747080595 1077911449 /nfs/dbraw/zinc/91/14/49/1077911449.db2.gz UQKBKKBXCIGJSJ-LJQANCHMSA-N 0 0 422.441 2.705 20 30 HFEDRN COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cc1C#N ZINC000747080651 1077912432 /nfs/dbraw/zinc/91/24/32/1077912432.db2.gz WBJGCOYDVBTYJC-UHFFFAOYSA-N 0 0 420.874 2.972 20 30 HFEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000792581168 1077916264 /nfs/dbraw/zinc/91/62/64/1077916264.db2.gz IPDNFCGXBKFBOO-NRFANRHFSA-N 0 0 420.904 2.872 20 30 HFEDRN CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(N(C)C)cc2)ccc1OC ZINC000790019833 1077916303 /nfs/dbraw/zinc/91/63/03/1077916303.db2.gz RSDLGGOGRJUSGW-QGZVFWFLSA-N 0 0 403.504 2.921 20 30 HFEDRN COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1ccc(C#N)cc1OC(F)F)C2=O ZINC000790027427 1077918651 /nfs/dbraw/zinc/91/86/51/1077918651.db2.gz QNVNGLLCSDHFCN-UHFFFAOYSA-N 0 0 424.381 2.522 20 30 HFEDRN CCc1[nH]nc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000790079150 1077925024 /nfs/dbraw/zinc/92/50/24/1077925024.db2.gz PHXSDNQYYPSMNA-UHFFFAOYSA-N 0 0 405.798 2.637 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000792593265 1077927471 /nfs/dbraw/zinc/92/74/71/1077927471.db2.gz HOALTWBVGXCKIZ-JOCHJYFZSA-N 0 0 419.506 2.821 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)n1 ZINC000790107807 1077937999 /nfs/dbraw/zinc/93/79/99/1077937999.db2.gz LTCBXEYFGDXMSQ-KRWDZBQOSA-N 0 0 411.481 2.948 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000790108278 1077939283 /nfs/dbraw/zinc/93/92/83/1077939283.db2.gz WRUZCSHWDYCLCI-UHFFFAOYSA-N 0 0 420.370 2.917 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)n1 ZINC000790108347 1077939284 /nfs/dbraw/zinc/93/92/84/1077939284.db2.gz YLVICFQRGJPXGJ-AVRDEDQJSA-N 0 0 406.530 2.864 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000790110531 1077940259 /nfs/dbraw/zinc/94/02/59/1077940259.db2.gz VJLKPXUUKZJVLB-UZLBHIALSA-N 0 0 416.884 2.877 20 30 HFEDRN CCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)c1 ZINC000790112280 1077941119 /nfs/dbraw/zinc/94/11/19/1077941119.db2.gz LUKIOPKEODUXRU-UHFFFAOYSA-N 0 0 419.481 2.717 20 30 HFEDRN CCCCn1c(=O)c(=Cc2cnn(Cc3ccccc3)c2Cl)sc1=C(C#N)C#N ZINC000790112079 1077941525 /nfs/dbraw/zinc/94/15/25/1077941525.db2.gz LDFCAMQDDMROES-UHFFFAOYSA-N 0 0 423.929 2.635 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)n1 ZINC000790114795 1077941905 /nfs/dbraw/zinc/94/19/05/1077941905.db2.gz FSJJOTCHFHUONO-UHFFFAOYSA-N 0 0 412.449 2.979 20 30 HFEDRN COc1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1C#N ZINC000746878091 1077943271 /nfs/dbraw/zinc/94/32/71/1077943271.db2.gz RIURETZRRKAICT-UHFFFAOYSA-N 0 0 423.288 2.663 20 30 HFEDRN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)OCC(F)(F)C(F)F ZINC000790116761 1077943319 /nfs/dbraw/zinc/94/33/19/1077943319.db2.gz FSZGMMKSKPVIJJ-UHFFFAOYSA-N 0 0 407.769 2.656 20 30 HFEDRN COC(=O)C1(C#N)CCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001170325311 1077943860 /nfs/dbraw/zinc/94/38/60/1077943860.db2.gz ZLPLBNJQGPDLIS-KRWDZBQOSA-N 0 0 409.490 2.595 20 30 HFEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1=O ZINC000792628410 1077947454 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C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000807338304 1080538558 /nfs/dbraw/zinc/53/85/58/1080538558.db2.gz GHRUZLISCGOJPG-JYRCXFKTSA-N 0 0 416.930 2.908 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000807337553 1080539894 /nfs/dbraw/zinc/53/98/94/1080539894.db2.gz RUPDCSMQSQKBHD-HXUWFJFHSA-N 0 0 406.482 2.827 20 30 HFEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000807338598 1080541041 /nfs/dbraw/zinc/54/10/41/1080541041.db2.gz FJFMZMKHQASGPA-UHFFFAOYSA-N 0 0 412.421 2.640 20 30 HFEDRN Cc1[nH]nc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)c1C#N ZINC000807394247 1080560991 /nfs/dbraw/zinc/56/09/91/1080560991.db2.gz FQCYTVJWGDAZCB-UHFFFAOYSA-N 0 0 420.429 2.969 20 30 HFEDRN COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000807375466 1080574070 /nfs/dbraw/zinc/57/40/70/1080574070.db2.gz KWONFSIFTLFOOV-UHFFFAOYSA-N 0 0 419.481 2.620 20 30 HFEDRN COc1ccccc1O[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000807380860 1080577831 /nfs/dbraw/zinc/57/78/31/1080577831.db2.gz TXJBAPIODSTGTK-GOSISDBHSA-N 0 0 409.442 2.606 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000807404336 1080598251 /nfs/dbraw/zinc/59/82/51/1080598251.db2.gz MHLFESMYQOPBHM-KDURUIRLSA-N 0 0 405.498 2.901 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000807403725 1080599074 /nfs/dbraw/zinc/59/90/74/1080599074.db2.gz BNYBHOWLXYICMD-UHFFFAOYSA-N 0 0 423.270 2.993 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000807404903 1080599457 /nfs/dbraw/zinc/59/94/57/1080599457.db2.gz HKTJNXDZROZOKA-IBGZPJMESA-N 0 0 405.498 2.680 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000807405916 1080601117 /nfs/dbraw/zinc/60/11/17/1080601117.db2.gz BUHDVJWOHWHSCP-UHFFFAOYSA-N 0 0 408.454 2.861 20 30 HFEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000807413926 1080611769 /nfs/dbraw/zinc/61/17/69/1080611769.db2.gz FTPUDBYOPOCZFE-SFHVURJKSA-N 0 0 412.490 2.855 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000807466568 1080644328 /nfs/dbraw/zinc/64/43/28/1080644328.db2.gz XKPVGORRHOBHED-HXUWFJFHSA-N 0 0 419.481 2.517 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000807466599 1080644384 /nfs/dbraw/zinc/64/43/84/1080644384.db2.gz DJONYZLEUXPOEW-QHAWAJNXSA-N 0 0 413.518 2.700 20 30 HFEDRN C=CCCCCCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000807443215 1080663311 /nfs/dbraw/zinc/66/33/11/1080663311.db2.gz FKOOFXIENHLCQD-UHFFFAOYSA-N 0 0 411.499 2.557 20 30 HFEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807487796 1080673282 /nfs/dbraw/zinc/67/32/82/1080673282.db2.gz IIBWCKQVQLLUBK-OAHLLOKOSA-N 0 0 422.407 2.922 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807488141 1080673718 /nfs/dbraw/zinc/67/37/18/1080673718.db2.gz RYBDNYFOVNHUJN-MRXNPFEDSA-N 0 0 424.350 2.645 20 30 HFEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c(F)c1 ZINC000807493514 1080686416 /nfs/dbraw/zinc/68/64/16/1080686416.db2.gz KOCYEFBFKAHJPU-LBPRGKRZSA-N 0 0 413.428 2.737 20 30 HFEDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000807499854 1080698560 /nfs/dbraw/zinc/69/85/60/1080698560.db2.gz RJTMFXKEZHCQOJ-NHYWBVRUSA-N 0 0 406.870 2.664 20 30 HFEDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000807502274 1080700172 /nfs/dbraw/zinc/70/01/72/1080700172.db2.gz KWBRXRHTGDETRP-NHYWBVRUSA-N 0 0 406.870 2.664 20 30 HFEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)Nc2ccnn2CC2CC2)n1 ZINC000807474885 1080726993 /nfs/dbraw/zinc/72/69/93/1080726993.db2.gz SGZYZZSTBUABKU-UHFFFAOYSA-N 0 0 409.837 2.581 20 30 HFEDRN Cc1cc(C#N)cc(N(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C2CC2)n1 ZINC001130964773 1080729053 /nfs/dbraw/zinc/72/90/53/1080729053.db2.gz BWXRVWDLZLQNCW-HSAQVAQVSA-N 0 0 409.490 2.504 20 30 HFEDRN CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000807528740 1080741147 /nfs/dbraw/zinc/74/11/47/1080741147.db2.gz QJASTFIZTIFZLB-UHFFFAOYSA-N 0 0 414.128 2.962 20 30 HFEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)CC(F)(F)Br)cc1C#N ZINC000807530062 1080741575 /nfs/dbraw/zinc/74/15/75/1080741575.db2.gz RBPVAXBRNAXUPO-UHFFFAOYSA-N 0 0 404.211 2.730 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)C(C)(C)C ZINC000807536165 1080750841 /nfs/dbraw/zinc/75/08/41/1080750841.db2.gz KYKVNIVRZCGUNP-IBGZPJMESA-N 0 0 412.534 2.522 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(C)(C)C ZINC000807535968 1080751299 /nfs/dbraw/zinc/75/12/99/1080751299.db2.gz HXZFYUGYSSDLKB-NRFANRHFSA-N 0 0 417.509 2.921 20 30 HFEDRN Cc1cccc(F)c1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000807517859 1080771423 /nfs/dbraw/zinc/77/14/23/1080771423.db2.gz NFTABURUEXLWMY-UHFFFAOYSA-N 0 0 414.868 2.624 20 30 HFEDRN C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000807576002 1080788551 /nfs/dbraw/zinc/78/85/51/1080788551.db2.gz NLNPJUCIJYDYED-UHFFFAOYSA-N 0 0 410.396 2.592 20 30 HFEDRN N#Cc1cccc(OCC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)c1 ZINC000747406111 1080793246 /nfs/dbraw/zinc/79/32/46/1080793246.db2.gz UCNGBDNMASUDEH-UHFFFAOYSA-N 0 0 412.247 2.978 20 30 HFEDRN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000328605823 569418264 /nfs/dbraw/zinc/41/82/64/569418264.db2.gz PJEMCVHKWRRIKQ-UIAACRFSSA-N 0 0 410.478 2.906 20 30 HFEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]1(C)C(=O)OC ZINC001164391009 718805040 /nfs/dbraw/zinc/80/50/40/718805040.db2.gz UADLMHSFOAWUKK-MRXNPFEDSA-N 0 0 401.797 2.860 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)cc(Cl)n1 ZINC001164652618 719303581 /nfs/dbraw/zinc/30/35/81/719303581.db2.gz NRIYBBBSGSWOPQ-PNPHSEOMSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164651253 719304179 /nfs/dbraw/zinc/30/41/79/719304179.db2.gz LNPCWUPDUKDFTD-QITLCBANSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164671437 719506445 /nfs/dbraw/zinc/50/64/45/719506445.db2.gz FLKOUDHZYJLZJW-UHFFFAOYSA-N 0 0 411.437 2.872 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164679020 719538196 /nfs/dbraw/zinc/53/81/96/719538196.db2.gz QGMFHGQPFINQIE-KCXAZCMYSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cnc1Cl ZINC001164677953 719558316 /nfs/dbraw/zinc/55/83/16/719558316.db2.gz TXEPSXUYHLEVTN-INIZCTEOSA-N 0 0 422.863 2.783 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC001164690959 719766194 /nfs/dbraw/zinc/76/61/94/719766194.db2.gz JHZCSBBTCPWWAS-HOTGVXAUSA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001164693353 719770767 /nfs/dbraw/zinc/77/07/67/719770767.db2.gz YZMCDOLFSJOSHR-HZPDHXFCSA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164712932 720089558 /nfs/dbraw/zinc/08/95/58/720089558.db2.gz YRVXQJJPDRBIIE-UHFFFAOYSA-N 0 0 403.824 2.656 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001164817667 720263923 /nfs/dbraw/zinc/26/39/23/720263923.db2.gz SDBQVEVCGPPEPT-ZDUSSCGKSA-N 0 0 420.851 2.607 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)nc1Cl ZINC001164849387 720809671 /nfs/dbraw/zinc/80/96/71/720809671.db2.gz GNJHILOPYTUUQR-LSDHHAIUSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)cnc1Cl ZINC001164757695 721005975 /nfs/dbraw/zinc/00/59/75/721005975.db2.gz GFBASSIYBKCRHC-ULQDDVLXSA-N 0 0 406.820 2.967 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@]2(C(=O)NCC2CC2)C1 ZINC001164887973 721342333 /nfs/dbraw/zinc/34/23/33/721342333.db2.gz WIFMUOBUVDCJOY-YJBOKZPZSA-N 0 0 410.852 2.663 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001164887963 721342407 /nfs/dbraw/zinc/34/24/07/721342407.db2.gz WIFMUOBUVDCJOY-CRAIPNDOSA-N 0 0 410.852 2.663 20 30 HFEDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164780803 721361519 /nfs/dbraw/zinc/36/15/19/721361519.db2.gz HREHPNDZWRFGNQ-QFIPXVFZSA-N 0 0 421.505 2.553 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)nc1Cl ZINC001164882803 721362499 /nfs/dbraw/zinc/36/24/99/721362499.db2.gz LFYAHHFXBZBUFG-GJZGRUSLSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001164881598 721363675 /nfs/dbraw/zinc/36/36/75/721363675.db2.gz FFGMEYGCGDVZIS-HZPDHXFCSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2[C@H](C1)OCC(=O)N2c1cccc(F)c1 ZINC001164882579 721364329 /nfs/dbraw/zinc/36/43/29/721364329.db2.gz JVVMASISMGGXEP-CABCVRRESA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)cc(Cl)n1 ZINC001164885087 721364647 /nfs/dbraw/zinc/36/46/47/721364647.db2.gz 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ZINC001130178166 1079037289 /nfs/dbraw/zinc/03/72/89/1079037289.db2.gz DFCMHJIZSAWMAW-QGZVFWFLSA-N 0 0 413.478 2.683 20 30 HFEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000805407236 1079045111 /nfs/dbraw/zinc/04/51/11/1079045111.db2.gz QFTJLVLPWDFPRY-HHHXNRCGSA-N 0 0 424.975 2.981 20 30 HFEDRN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2cnnn2)cn1 ZINC001130165845 1079046316 /nfs/dbraw/zinc/04/63/16/1079046316.db2.gz QZOUHRZFLPANMA-LBPRGKRZSA-N 0 0 401.352 2.631 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000805360823 1079046337 /nfs/dbraw/zinc/04/63/37/1079046337.db2.gz NVEISIBJKJZFFD-LJQANCHMSA-N 0 0 410.426 2.920 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000805363217 1079047238 /nfs/dbraw/zinc/04/72/38/1079047238.db2.gz ASOUGNSVIRNYOC-UHFFFAOYSA-N 0 0 413.455 2.577 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000805381338 1079053509 /nfs/dbraw/zinc/05/35/09/1079053509.db2.gz 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COC(=O)Cc1ccccc1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001130223568 1079105802 /nfs/dbraw/zinc/10/58/02/1079105802.db2.gz UEFBIJKOICYKGB-SFHVURJKSA-N 0 0 417.506 2.996 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)cc2C1=O ZINC001130229271 1079113977 /nfs/dbraw/zinc/11/39/77/1079113977.db2.gz PRXWRAVXXHKGCB-KRWDZBQOSA-N 0 0 400.475 2.812 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000805523896 1079117921 /nfs/dbraw/zinc/11/79/21/1079117921.db2.gz NZQPZVDCNAWNJK-CQSZACIVSA-N 0 0 416.380 2.820 20 30 HFEDRN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805585228 1079161673 /nfs/dbraw/zinc/16/16/73/1079161673.db2.gz KVRGUJLUILAQGX-QGZVFWFLSA-N 0 0 409.417 2.908 20 30 HFEDRN CC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000805587047 1079163731 /nfs/dbraw/zinc/16/37/31/1079163731.db2.gz JCDHUNVHFIPGBZ-INIZCTEOSA-N 0 0 424.432 2.664 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCCn3cnc4ccsc4c3=O)C2)c(F)c1 ZINC000805588545 1079163812 /nfs/dbraw/zinc/16/38/12/1079163812.db2.gz SHQPDCIAMCSHGP-AWEZNQCLSA-N 0 0 412.446 2.538 20 30 HFEDRN COC(=O)c1ccc(C(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805587004 1079163823 /nfs/dbraw/zinc/16/38/23/1079163823.db2.gz ILZZPLLRGCQZQZ-KRWDZBQOSA-N 0 0 410.401 2.736 20 30 HFEDRN Cc1oc(NC(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C#N)c1C ZINC000805588400 1079163828 /nfs/dbraw/zinc/16/38/28/1079163828.db2.gz RSGNSXKUYVTZGD-HNNXBMFYSA-N 0 0 410.405 2.787 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)Nc3ccc(F)c(F)c3)C2)c(F)c1 ZINC000805586807 1079163837 /nfs/dbraw/zinc/16/38/37/1079163837.db2.gz GVUUSRKUTXLJLH-ZDUSSCGKSA-N 0 0 403.360 2.984 20 30 HFEDRN CC(=O)Nc1ccc(C(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805587950 1079164358 /nfs/dbraw/zinc/16/43/58/1079164358.db2.gz SHHUNMYFBKSZSG-KRWDZBQOSA-N 0 0 409.417 2.908 20 30 HFEDRN COC(=O)c1cccc(OCCOC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000805587962 1079164766 /nfs/dbraw/zinc/16/47/66/1079164766.db2.gz SIRLHXOFCULXSK-QGZVFWFLSA-N 0 0 412.417 2.932 20 30 HFEDRN Cc1ccc2nc(COC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc(=O)n2c1 ZINC000805590187 1079165742 /nfs/dbraw/zinc/16/57/42/1079165742.db2.gz TVHURLRAOBIXFM-MRXNPFEDSA-N 0 0 406.417 2.583 20 30 HFEDRN COC(=O)[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(C#N)cc1 ZINC000805591588 1079168455 /nfs/dbraw/zinc/16/84/55/1079168455.db2.gz WEGJYAUCTCWOTL-YLJYHZDGSA-N 0 0 407.401 2.853 20 30 HFEDRN CC1(C(=O)OCCN2C(=O)CCC2=O)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805596450 1079170359 /nfs/dbraw/zinc/17/03/59/1079170359.db2.gz MZSAGOZRCQFPEE-UHFFFAOYSA-N 0 0 403.866 2.510 20 30 HFEDRN CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805597636 1079172218 /nfs/dbraw/zinc/17/22/18/1079172218.db2.gz XKRYSBYTESVOER-ZDUSSCGKSA-N 0 0 420.897 2.596 20 30 HFEDRN COc1ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c(N)c1F ZINC000805600236 1079173142 /nfs/dbraw/zinc/17/31/42/1079173142.db2.gz KKOIFKOSXPWXIK-ZDUSSCGKSA-N 0 0 415.421 2.917 20 30 HFEDRN C[C@@](C#N)(NC(=O)COC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C1CC1 ZINC000805633438 1079186538 /nfs/dbraw/zinc/18/65/38/1079186538.db2.gz KJATUCMHJLXAFX-KRWDZBQOSA-N 0 0 408.336 2.721 20 30 HFEDRN C#CC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC001130299279 1079190696 /nfs/dbraw/zinc/19/06/96/1079190696.db2.gz DDIYNZAWPQCINQ-UHFFFAOYSA-N 0 0 414.552 2.981 20 30 HFEDRN COC(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1F ZINC000747261765 1079196856 /nfs/dbraw/zinc/19/68/56/1079196856.db2.gz KHIWXDKJEVDTNA-UHFFFAOYSA-N 0 0 418.446 2.716 20 30 HFEDRN N#CC1(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)CCSCC1 ZINC001130321746 1079197912 /nfs/dbraw/zinc/19/79/12/1079197912.db2.gz TVRLXAUCNXBTRV-UHFFFAOYSA-N 0 0 403.470 2.959 20 30 HFEDRN C=CCN1CC[C@H](OC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000805649831 1079203290 /nfs/dbraw/zinc/20/32/90/1079203290.db2.gz SJDUASHVTIKPDL-YVEFUNNKSA-N 0 0 406.401 2.506 20 30 HFEDRN CC(C)[C@H](NC(=O)COC(=O)c1cnccc1C#N)c1ccc2c(c1)OCCCO2 ZINC000805719099 1079234994 /nfs/dbraw/zinc/23/49/94/1079234994.db2.gz PNWDSCDGORPNJZ-NRFANRHFSA-N 0 0 409.442 2.785 20 30 HFEDRN C#C[C@H](NC(=O)NCCNC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1F ZINC000805779246 1079249620 /nfs/dbraw/zinc/24/96/20/1079249620.db2.gz SEXACHNGXFYYIO-SFHVURJKSA-N 0 0 405.832 2.951 20 30 HFEDRN C#C[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(Cl)cc1F ZINC000805778939 1079249800 /nfs/dbraw/zinc/24/98/00/1079249800.db2.gz MTHXFDOMTBAGDG-SFHVURJKSA-N 0 0 414.872 2.599 20 30 HFEDRN C#C[C@@H](NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccc(Cl)cc1F ZINC000805780673 1079250186 /nfs/dbraw/zinc/25/01/86/1079250186.db2.gz JSRATHDYLIOJCD-IINYFYTJSA-N 0 0 405.779 2.863 20 30 HFEDRN C#CCOc1ccccc1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000747268817 1079251004 /nfs/dbraw/zinc/25/10/04/1079251004.db2.gz FPMBOPHBCFNCEQ-UHFFFAOYSA-N 0 0 410.289 2.948 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000805784708 1079251375 /nfs/dbraw/zinc/25/13/75/1079251375.db2.gz REGOAFLANNHNTR-PGRDOPGGSA-N 0 0 421.497 2.743 20 30 HFEDRN C=CCOc1ccc(CNC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000805756008 1079260778 /nfs/dbraw/zinc/26/07/78/1079260778.db2.gz PBPLWGQCWURFFS-SFHVURJKSA-N 0 0 405.495 2.687 20 30 HFEDRN N#Cc1ccc(NCCNC(=O)C(=O)NCC2(Sc3ccccc3)CCCC2)nc1 ZINC000805841162 1079279511 /nfs/dbraw/zinc/27/95/11/1079279511.db2.gz IDPMCIDTXCXHSC-UHFFFAOYSA-N 0 0 423.542 2.703 20 30 HFEDRN CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCCc3nc(C#N)ccc32)CCCOC1 ZINC001130383170 1079281828 /nfs/dbraw/zinc/28/18/28/1079281828.db2.gz YLOXLDHEXIYZKC-OAQYLSRUSA-N 0 0 400.479 2.554 20 30 HFEDRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCCc3nc(C#N)ccc32)CCCOC1 ZINC001130383169 1079281848 /nfs/dbraw/zinc/28/18/48/1079281848.db2.gz YLOXLDHEXIYZKC-NRFANRHFSA-N 0 0 400.479 2.554 20 30 HFEDRN N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130383087 1079281861 /nfs/dbraw/zinc/28/18/61/1079281861.db2.gz VPVGFNSBUAHDDB-HNNXBMFYSA-N 0 0 411.443 2.507 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1)c1ccncc1 ZINC000805806959 1079283134 /nfs/dbraw/zinc/28/31/34/1079283134.db2.gz XLNNNYYYKGDXOZ-VXKWHMMOSA-N 0 0 406.530 2.938 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C)c1ccncc1 ZINC000805809287 1079284623 /nfs/dbraw/zinc/28/46/23/1079284623.db2.gz QGCPXAVPFWJOEI-QZTJIDSGSA-N 0 0 402.445 2.512 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1)c1ccncc1 ZINC000805815714 1079288248 /nfs/dbraw/zinc/28/82/48/1079288248.db2.gz UKYZXMHUWUQRKD-LEWJYISDSA-N 0 0 424.570 2.549 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000805815314 1079288591 /nfs/dbraw/zinc/28/85/91/1079288591.db2.gz OTVHLOFVUQQXFO-OXQOHEQNSA-N 0 0 422.485 2.991 20 30 HFEDRN COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2Cc3cccc(C#N)c3C2)cc1OC ZINC001130387351 1079291677 /nfs/dbraw/zinc/29/16/77/1079291677.db2.gz HZMPIOQQKXPITD-HSZRJFAPSA-N 0 0 407.470 2.555 20 30 HFEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)n2ccc3ccccc3c2=O)cc1OC ZINC000805855049 1079304299 /nfs/dbraw/zinc/30/42/99/1079304299.db2.gz BVXWAEKRFREOAF-KSSFIOAISA-N 0 0 419.437 2.927 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](C(=O)OCCN3C(=O)NCc4ccccc43)C2)c(F)c1 ZINC000805877330 1079318561 /nfs/dbraw/zinc/31/85/61/1079318561.db2.gz FGZCSWGAQGNYBA-QGZVFWFLSA-N 0 0 408.433 2.797 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCCN3C(=O)NCc4ccccc43)C2)c(F)c1 ZINC000805877329 1079318577 /nfs/dbraw/zinc/31/85/77/1079318577.db2.gz FGZCSWGAQGNYBA-KRWDZBQOSA-N 0 0 408.433 2.797 20 30 HFEDRN N#C[C@H](COC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)Cc1cccs1 ZINC000805905219 1079328270 /nfs/dbraw/zinc/32/82/70/1079328270.db2.gz GYUYRXYHTCWNCX-QGZVFWFLSA-N 0 0 418.540 2.518 20 30 HFEDRN CCN1CCN(C(=O)c2ccc(NC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000747275516 1079330619 /nfs/dbraw/zinc/33/06/19/1079330619.db2.gz OJNVSTDFSKNNDZ-UHFFFAOYSA-N 0 0 421.501 2.666 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCc3cccnc3Br)CC2)o1 ZINC000805932806 1079361080 /nfs/dbraw/zinc/36/10/80/1079361080.db2.gz DOXCGNFUAOCLIX-UHFFFAOYSA-N 0 0 405.252 2.972 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCc2cccnc2Br)c1 ZINC000805935941 1079363373 /nfs/dbraw/zinc/36/33/73/1079363373.db2.gz JAZUVKKBBVVDKQ-UHFFFAOYSA-N 0 0 411.277 2.665 20 30 HFEDRN C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001130465965 1079370342 /nfs/dbraw/zinc/37/03/42/1079370342.db2.gz UVZVWJFIKWGFQG-RTWAWAEBSA-N 0 0 416.518 2.854 20 30 HFEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCc3conc3C(F)(F)F)C2=O)cc1 ZINC000805994149 1079395412 /nfs/dbraw/zinc/39/54/12/1079395412.db2.gz CIHRAUZGVVXFIV-ZDUSSCGKSA-N 0 0 422.319 2.513 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@H]1CCCSC1 ZINC000806046309 1079412272 /nfs/dbraw/zinc/41/22/72/1079412272.db2.gz GBFBFFAUPKKCAQ-ZBFHGGJFSA-N 0 0 410.561 2.826 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCCc2nnc(-c3ccccc3)o2)c1 ZINC000806114887 1079443101 /nfs/dbraw/zinc/44/31/01/1079443101.db2.gz XBEHCDKUTPSGPL-UHFFFAOYSA-N 0 0 413.455 2.600 20 30 HFEDRN CN(C)S(=O)(=O)C[C@H](OC(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000806123188 1079453627 /nfs/dbraw/zinc/45/36/27/1079453627.db2.gz CJTZTZSPPMVHLP-JTQLQIEISA-N 0 0 411.295 2.824 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000806173432 1079463608 /nfs/dbraw/zinc/46/36/08/1079463608.db2.gz JBHMRAWUZLQVLU-GOSISDBHSA-N 0 0 401.488 2.625 20 30 HFEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000806174298 1079464169 /nfs/dbraw/zinc/46/41/69/1079464169.db2.gz VFBXWCGCDXEEFL-UHFFFAOYSA-N 0 0 423.491 2.564 20 30 HFEDRN CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1cnn(C(C)C)c1 ZINC000746678232 1076771650 /nfs/dbraw/zinc/77/16/50/1076771650.db2.gz AWLIEPHZOVLSJI-UHFFFAOYSA-N 0 0 411.535 2.972 20 30 HFEDRN CC(C)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 ZINC000787364216 1076774644 /nfs/dbraw/zinc/77/46/44/1076774644.db2.gz CDIWWFRANQBSIX-SFHVURJKSA-N 0 0 413.543 2.746 20 30 HFEDRN COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1C#N 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/nfs/dbraw/zinc/98/46/79/1077984679.db2.gz OFSKGOYXJUHKPS-UHFFFAOYSA-N 0 0 404.348 2.709 20 30 HFEDRN CN1CCCc2cc(NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 ZINC000792751366 1077985164 /nfs/dbraw/zinc/98/51/64/1077985164.db2.gz BVKSUEXFGZKXJJ-HXUWFJFHSA-N 0 0 403.486 2.863 20 30 HFEDRN COc1ccc(NC(=S)NN=Cc2c(Br)c(C)nn2C)cc1OC ZINC000790290615 1077986838 /nfs/dbraw/zinc/98/68/38/1077986838.db2.gz QXXZBLDAXGNHKU-UHFFFAOYSA-N 0 0 412.313 2.829 20 30 HFEDRN C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cc(Cl)ccc1OC ZINC000792786380 1077990914 /nfs/dbraw/zinc/99/09/14/1077990914.db2.gz UJVKRFJFFFCOQN-ZBEGNZNMSA-N 0 0 405.907 2.971 20 30 HFEDRN C=CCCCn1c(-c2cnn(C)c2)csc1=NCc1ccc(S(N)(=O)=O)cc1 ZINC000790270039 1077991442 /nfs/dbraw/zinc/99/14/42/1077991442.db2.gz GXKTYJHLCQBJSX-UHFFFAOYSA-N 0 0 417.560 2.665 20 30 HFEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790317763 1077995453 /nfs/dbraw/zinc/99/54/53/1077995453.db2.gz HBNXSEGTPQXMFT-UHFFFAOYSA-N 0 0 418.371 2.527 20 30 HFEDRN Cc1ccc(-n2nc(CCCNC(=O)C(F)(F)C3CCOCC3)c(C#N)c2N)cc1 ZINC000790306045 1077999707 /nfs/dbraw/zinc/99/97/07/1077999707.db2.gz IBJLFBHXSMIXLU-UHFFFAOYSA-N 0 0 417.460 2.745 20 30 HFEDRN CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000790306592 1077999974 /nfs/dbraw/zinc/99/99/74/1077999974.db2.gz LLQSDCODVDCWQR-UHFFFAOYSA-N 0 0 422.438 2.591 20 30 HFEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c1 ZINC000790348708 1078000950 /nfs/dbraw/zinc/00/09/50/1078000950.db2.gz SJGSFAITXHMMFH-UHFFFAOYSA-N 0 0 407.398 2.599 20 30 HFEDRN CCOc1nc(C)ccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000790357868 1078003506 /nfs/dbraw/zinc/00/35/06/1078003506.db2.gz VEKBIMBMBBJUBQ-NKFKGCMQSA-N 0 0 416.503 2.854 20 30 HFEDRN N#Cc1cccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000790364764 1078003962 /nfs/dbraw/zinc/00/39/62/1078003962.db2.gz AVPVDLISVHROTP-UHFFFAOYSA-N 0 0 422.260 2.976 20 30 HFEDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000792827496 1078006646 /nfs/dbraw/zinc/00/66/46/1078006646.db2.gz UJDXTBFGOMBLNZ-MDZRGWNJSA-N 0 0 411.527 2.908 20 30 HFEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000790384384 1078011068 /nfs/dbraw/zinc/01/10/68/1078011068.db2.gz MGKVCLRZRQPXNI-HOTGVXAUSA-N 0 0 411.499 2.835 20 30 HFEDRN C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)OC3(CCOCC3)C2)c1=S ZINC000790386054 1078011376 /nfs/dbraw/zinc/01/13/76/1078011376.db2.gz HUXXCMAUGLPXIZ-MRXNPFEDSA-N 0 0 401.536 2.889 20 30 HFEDRN C[C@H](OC(=O)c1cnc(OCC2CC2)cn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000792841593 1078012577 /nfs/dbraw/zinc/01/25/77/1078012577.db2.gz DILGPTUDOBSJGL-DBWCEAHUSA-N 0 0 400.479 2.742 20 30 HFEDRN C[C@H](OC(=O)c1cnc(OCC2CC2)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000792840967 1078012689 /nfs/dbraw/zinc/01/26/89/1078012689.db2.gz CDXOXAMNDDYNCC-AWEZNQCLSA-N 0 0 412.421 2.897 20 30 HFEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2csc(C(F)(F)F)n2)c1 ZINC000790371616 1078016861 /nfs/dbraw/zinc/01/68/61/1078016861.db2.gz VJOYNVVBZLTZNT-UHFFFAOYSA-N 0 0 423.416 2.649 20 30 HFEDRN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000792903450 1078019830 /nfs/dbraw/zinc/01/98/30/1078019830.db2.gz DLTBEXFVMNNIPR-GOSISDBHSA-N 0 0 424.505 2.524 20 30 HFEDRN C=CCn1c(SC[C@@H](O)CCNC(=O)OC(C)(C)C)nc2ccccc2c1=O ZINC000792943372 1078022778 /nfs/dbraw/zinc/02/27/78/1078022778.db2.gz ZDPJRFPFITZXOD-AWEZNQCLSA-N 0 0 405.520 2.950 20 30 HFEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(-c3ccsc3)c2=O)c1 ZINC000790428620 1078024070 /nfs/dbraw/zinc/02/40/70/1078024070.db2.gz YMHWJIRRJHLBAR-UHFFFAOYSA-N 0 0 423.563 2.951 20 30 HFEDRN C#CCn1c(=O)c(=Cc2ccsc2Cl)sc1=C(C#N)C(=O)c1ccc(C)cc1 ZINC000790428223 1078024418 /nfs/dbraw/zinc/02/44/18/1078024418.db2.gz SEVCCGGTQSMBTP-UHFFFAOYSA-N 0 0 424.934 2.952 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)ccc1F ZINC000790396221 1078024638 /nfs/dbraw/zinc/02/46/38/1078024638.db2.gz DLTISIOADQMNTE-WOJBJXKFSA-N 0 0 420.506 2.778 20 30 HFEDRN CCOC(=O)c1cc(C=NN2C(=S)N=NC2c2ccc(OC(F)F)cc2)on1 ZINC000792929043 1078027592 /nfs/dbraw/zinc/02/75/92/1078027592.db2.gz WFGBQGNHBCCVHR-UHFFFAOYSA-N 0 0 409.374 2.882 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1-c1ccc(Cl)nc1 ZINC000790428668 1078028249 /nfs/dbraw/zinc/02/82/49/1078028249.db2.gz ISESFJKLIQZYHF-UHFFFAOYSA-N 0 0 405.291 2.689 20 30 HFEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N=NC2CCC(=O)NC2(C)C)nc1 ZINC000792936355 1078028917 /nfs/dbraw/zinc/02/89/17/1078028917.db2.gz KZRBRBLZOLFPAH-UHFFFAOYSA-N 0 0 415.519 2.753 20 30 HFEDRN Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccsc2)c1=O ZINC000790434033 1078029500 /nfs/dbraw/zinc/02/95/00/1078029500.db2.gz MOXHVDLGRGXIII-UHFFFAOYSA-N 0 0 415.565 2.844 20 30 HFEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccsc1 ZINC000790434727 1078029674 /nfs/dbraw/zinc/02/96/74/1078029674.db2.gz UFDNYNVQDZRWRT-LLVKDONJSA-N 0 0 415.565 2.844 20 30 HFEDRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000790445861 1078034061 /nfs/dbraw/zinc/03/40/61/1078034061.db2.gz CNLIFYAMIJQPMD-IFXJQAMLSA-N 0 0 408.524 2.705 20 30 HFEDRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C(=O)NCC(C)(C)C#N)c2F)C1 ZINC000793019812 1078042105 /nfs/dbraw/zinc/04/21/05/1078042105.db2.gz VFEVVQIFYWRUQS-UHFFFAOYSA-N 0 0 418.469 2.723 20 30 HFEDRN N#Cc1cccnc1N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790485394 1078042412 /nfs/dbraw/zinc/04/24/12/1078042412.db2.gz FVZBPCBMMZEBOI-UHFFFAOYSA-N 0 0 403.801 2.545 20 30 HFEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000806217532 1079503846 /nfs/dbraw/zinc/50/38/46/1079503846.db2.gz IUFBIEHXKPGCEZ-HAVVHWLPSA-N 0 0 405.524 2.951 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2Cc3ccccc3CO2)cc1 ZINC000806219645 1079505108 /nfs/dbraw/zinc/50/51/08/1079505108.db2.gz LJEOSZJWBYMTKT-QOCHGBHMSA-N 0 0 414.487 2.979 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000806229869 1079510607 /nfs/dbraw/zinc/51/06/07/1079510607.db2.gz RRCHAFSQBPGPRH-LJQANCHMSA-N 0 0 411.527 2.678 20 30 HFEDRN C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000747319067 1079573834 /nfs/dbraw/zinc/57/38/34/1079573834.db2.gz LAIQXLFTQGJWBX-HNNXBMFYSA-N 0 0 420.494 2.665 20 30 HFEDRN CCN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)/C=C\c1ccccc1C#N ZINC000806318614 1079590152 /nfs/dbraw/zinc/59/01/52/1079590152.db2.gz ZGTAWFACKKDNKB-NTMALXAHSA-N 0 0 406.438 2.935 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000806328851 1079601408 /nfs/dbraw/zinc/60/14/08/1079601408.db2.gz LHYBRBFWMZVGRQ-GOSISDBHSA-N 0 0 412.515 2.787 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](CCNC(C)=O)C2)cc1C#N ZINC000806364373 1079651769 /nfs/dbraw/zinc/65/17/69/1079651769.db2.gz VGUKEMLUJDFSIB-HNNXBMFYSA-N 0 0 401.467 2.897 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000806368526 1079655979 /nfs/dbraw/zinc/65/59/79/1079655979.db2.gz FNKFJJJHGWMLQH-QGZVFWFLSA-N 0 0 415.515 2.702 20 30 HFEDRN CCOC(=O)c1c(NC(=O)Nc2n[nH]c(C3CC3)c2C)c(C#N)cn1CCOC ZINC000806418242 1079662147 /nfs/dbraw/zinc/66/21/47/1079662147.db2.gz GKKAFPPSGYETHZ-UHFFFAOYSA-N 0 0 400.439 2.736 20 30 HFEDRN C#Cc1cncc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000806420569 1079663811 /nfs/dbraw/zinc/66/38/11/1079663811.db2.gz OJJMBYMKSBGPPL-KRWDZBQOSA-N 0 0 401.470 2.940 20 30 HFEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2occ3c2CCOC3)n1 ZINC000806408703 1079697133 /nfs/dbraw/zinc/69/71/33/1079697133.db2.gz ILRBXJAIPZXSCD-UHFFFAOYSA-N 0 0 403.489 2.718 20 30 HFEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2scnc2COC)n1 ZINC000806408406 1079697323 /nfs/dbraw/zinc/69/73/23/1079697323.db2.gz APRRAJAIWZCRNE-UHFFFAOYSA-N 0 0 408.534 2.655 20 30 HFEDRN CN1C(=S)N=NC1Cc1csc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000806409582 1079697845 /nfs/dbraw/zinc/69/78/45/1079697845.db2.gz BNCCWNYRWHATJN-UHFFFAOYSA-N 0 0 414.491 2.832 20 30 HFEDRN C#CCOc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O ZINC000806439036 1079706758 /nfs/dbraw/zinc/70/67/58/1079706758.db2.gz YTUFTFARRZZEAL-IBGZPJMESA-N 0 0 423.469 2.638 20 30 HFEDRN C#CCOc1ccccc1NC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000806438572 1079706836 /nfs/dbraw/zinc/70/68/36/1079706836.db2.gz IJBGRSOERNNAOZ-CHWSQXEVSA-N 0 0 401.492 2.897 20 30 HFEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000806457965 1079729833 /nfs/dbraw/zinc/72/98/33/1079729833.db2.gz DIQMAJGTNOFWGK-CRAIPNDOSA-N 0 0 421.519 2.564 20 30 HFEDRN CCOC(=O)C1(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CCCC1 ZINC000806459450 1079731110 /nfs/dbraw/zinc/73/11/10/1079731110.db2.gz FXSPHSZERRXDJS-CQSZACIVSA-N 0 0 407.492 2.617 20 30 HFEDRN CCN(CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(=O)OC(C)(C)C ZINC000806461337 1079733584 /nfs/dbraw/zinc/73/35/84/1079733584.db2.gz QAQFGOFVRPZSAI-CQSZACIVSA-N 0 0 424.523 2.751 20 30 HFEDRN C#C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(Cl)cc1F ZINC000806533819 1079806745 /nfs/dbraw/zinc/80/67/45/1079806745.db2.gz 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C#CCn1ccc(CN(CCOC)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 ZINC000789320706 1077517679 /nfs/dbraw/zinc/51/76/79/1077517679.db2.gz BDTFYKQETJJZEP-KQWNVCNZSA-N 0 0 406.530 2.845 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)n1 ZINC000789322176 1077518663 /nfs/dbraw/zinc/51/86/63/1077518663.db2.gz BJLWKNWNKBYKKO-IBGZPJMESA-N 0 0 420.435 2.789 20 30 HFEDRN C#CCn1ccc(CN(CCOC)Cc2cn3cc(Br)ccc3n2)n1 ZINC000789323874 1077519227 /nfs/dbraw/zinc/51/92/27/1077519227.db2.gz CBIXXDJEKQCUPB-UHFFFAOYSA-N 0 0 402.296 2.575 20 30 HFEDRN C#CCn1ccc(CN(CCOC)Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)n1 ZINC000789323845 1077519238 /nfs/dbraw/zinc/51/92/38/1077519238.db2.gz BOLOABFINZZDTC-UHFFFAOYSA-N 0 0 424.530 2.577 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000789323862 1077519289 /nfs/dbraw/zinc/51/92/89/1077519289.db2.gz BXUWNRQRPNSNML-OAHLLOKOSA-N 0 0 404.898 2.654 20 30 HFEDRN C#CCn1ccc(CN(CCOC)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000789324893 1077520170 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COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000804873033 1078696104 /nfs/dbraw/zinc/69/61/04/1078696104.db2.gz ZYSKGBGQTPNPSD-SFHVURJKSA-N 0 0 415.490 2.996 20 30 HFEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1 ZINC001129757981 1078701969 /nfs/dbraw/zinc/70/19/69/1078701969.db2.gz LSHQQLVOTWFRKL-UHFFFAOYSA-N 0 0 412.393 2.503 20 30 HFEDRN N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC000804632704 1078712717 /nfs/dbraw/zinc/71/27/17/1078712717.db2.gz FYSRJSYMYXCNFV-MOPGFXCFSA-N 0 0 417.531 2.688 20 30 HFEDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000804887517 1078713614 /nfs/dbraw/zinc/71/36/14/1078713614.db2.gz LYCZXSFEDFICEN-MRXNPFEDSA-N 0 0 421.881 2.836 20 30 HFEDRN CCOC(=O)c1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C#N)cn1CC ZINC001130010987 1078760963 /nfs/dbraw/zinc/76/09/63/1078760963.db2.gz QWYNJZZJUZIFHF-UHFFFAOYSA-N 0 0 407.430 2.678 20 30 HFEDRN N#Cc1ccc(NCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)nc1 ZINC000804960820 1078799957 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C#CCCCS(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000805085998 1078914666 /nfs/dbraw/zinc/91/46/66/1078914666.db2.gz YFTXLAKOVTWUOY-GOSISDBHSA-N 0 0 409.552 2.651 20 30 HFEDRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000805092004 1078917559 /nfs/dbraw/zinc/91/75/59/1078917559.db2.gz UOIFHRHYPFNICU-UHFFFAOYSA-N 0 0 410.421 2.791 20 30 HFEDRN C=CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805144287 1078943919 /nfs/dbraw/zinc/94/39/19/1078943919.db2.gz YPRYCVIVLHCZMA-HOCLYGCPSA-N 0 0 420.453 2.785 20 30 HFEDRN C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(C)(C)C ZINC000805147309 1078945552 /nfs/dbraw/zinc/94/55/52/1078945552.db2.gz WAKZCAYSJVISDZ-CYBMUJFWSA-N 0 0 406.273 2.701 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)[C@@H]1CCCO1 ZINC000805246163 1078982015 /nfs/dbraw/zinc/98/20/15/1078982015.db2.gz PQOWFRDMQYVZRG-JLSDUUJJSA-N 0 0 411.527 2.901 20 30 HFEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 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/nfs/dbraw/zinc/24/92/57/1079249257.db2.gz NUOSFTJOKCEJDC-CZUORRHYSA-N 0 0 419.844 2.578 20 30 HFEDRN C#C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)c(C)c1)c1ccc(Cl)cc1F ZINC000805778990 1079249628 /nfs/dbraw/zinc/24/96/28/1079249628.db2.gz NVVOFJTUGJZKGE-INIZCTEOSA-N 0 0 409.870 2.609 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000805781030 1079250449 /nfs/dbraw/zinc/25/04/49/1079250449.db2.gz SOOOVIJLTQIXMO-WWNPGLIZSA-N 0 0 424.589 2.643 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000805784706 1079251393 /nfs/dbraw/zinc/25/13/93/1079251393.db2.gz REGOAFLANNHNTR-AVRDEDQJSA-N 0 0 421.497 2.743 20 30 HFEDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(CC(=O)NCc1cccc(C#N)c1)C2 ZINC000805794128 1079259319 /nfs/dbraw/zinc/25/93/19/1079259319.db2.gz PDYAXZJISFIFOK-HSZRJFAPSA-N 0 0 412.534 2.897 20 30 HFEDRN C#CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000747269931 1079274250 /nfs/dbraw/zinc/27/42/50/1079274250.db2.gz JXIAYMUFXYVTAH-UHFFFAOYSA-N 0 0 410.289 2.948 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)c1ccncc1 ZINC000805810526 1079285063 /nfs/dbraw/zinc/28/50/63/1079285063.db2.gz GADZJXNTDJAAJR-CRAIPNDOSA-N 0 0 405.458 2.785 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1ccncc1 ZINC000805807203 1079282730 /nfs/dbraw/zinc/28/27/30/1079282730.db2.gz BVAOQCKQCXTYEK-RYQLBKOJSA-N 0 0 416.522 2.577 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N(C)Cc1cc(Br)cn1C)c1ccncc1 ZINC000805808338 1079283622 /nfs/dbraw/zinc/28/36/22/1079283622.db2.gz DYXVFLILZJDOSN-MRXNPFEDSA-N 0 0 405.296 2.575 20 30 HFEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2COC(=O)NC)cc1 ZINC000805825818 1079295064 /nfs/dbraw/zinc/29/50/64/1079295064.db2.gz GWYFVKAEBYHEDQ-SFHVURJKSA-N 0 0 402.495 2.542 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2)c1ccncc1 ZINC000805810629 1079285547 /nfs/dbraw/zinc/28/55/47/1079285547.db2.gz GZKDLIRONCWMDO-OALUTQOASA-N 0 0 407.470 2.950 20 30 HFEDRN 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KVJFDYFXHDTAOY-CRAIPNDOSA-N 0 0 414.506 2.641 20 30 HFEDRN CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000787346034 1076788011 /nfs/dbraw/zinc/78/80/11/1076788011.db2.gz SAULDINXCWAAAE-LJQANCHMSA-N 0 0 422.485 2.557 20 30 HFEDRN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000787349277 1076790765 /nfs/dbraw/zinc/79/07/65/1076790765.db2.gz KTMXNTKPEMIKOG-CVEARBPZSA-N 0 0 420.469 2.912 20 30 HFEDRN CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(F)(F)F ZINC000787403654 1076809155 /nfs/dbraw/zinc/80/91/55/1076809155.db2.gz ZKRDFYHQFUVSKY-MDUHSQENSA-N 0 0 406.430 2.962 20 30 HFEDRN C=CCNC(=O)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC000787440288 1076812088 /nfs/dbraw/zinc/81/20/88/1076812088.db2.gz IAHYHNYGTOZTLD-UHFFFAOYSA-N 0 0 401.385 2.971 20 30 HFEDRN CCNC(=O)COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000746681084 1076813966 /nfs/dbraw/zinc/81/39/66/1076813966.db2.gz FJYJIMIQOVESDL-UHFFFAOYSA-N 0 0 402.407 2.573 20 30 HFEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000787478412 1076838225 /nfs/dbraw/zinc/83/82/25/1076838225.db2.gz OFOBMDOUAXZDNH-UHFFFAOYSA-N 0 0 416.485 2.502 20 30 HFEDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)NC1(C#N)CCC1 ZINC000787552187 1076856324 /nfs/dbraw/zinc/85/63/24/1076856324.db2.gz ADNFMOZJXSZDDZ-HNNXBMFYSA-N 0 0 414.462 2.939 20 30 HFEDRN C[C@@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCC1 ZINC000787552995 1076856952 /nfs/dbraw/zinc/85/69/52/1076856952.db2.gz HBLSZMKIDLBSCV-LLVKDONJSA-N 0 0 420.878 2.976 20 30 HFEDRN C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nnnn1C ZINC000787557908 1076859710 /nfs/dbraw/zinc/85/97/10/1076859710.db2.gz WBAMLYKWOFSNTR-ZDUSSCGKSA-N 0 0 422.470 2.731 20 30 HFEDRN Cc1noc(C)c1COc1ccc(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000787559691 1076864694 /nfs/dbraw/zinc/86/46/94/1076864694.db2.gz QXGFTBPLFMKWJF-INIZCTEOSA-N 0 0 411.458 2.907 20 30 HFEDRN C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000787621444 1076881833 /nfs/dbraw/zinc/88/18/33/1076881833.db2.gz LGHIVMVWOQHIRX-HNNXBMFYSA-N 0 0 403.438 2.649 20 30 HFEDRN CCCCc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)CC2=O)cc1 ZINC000787634566 1076886067 /nfs/dbraw/zinc/88/60/67/1076886067.db2.gz LYUFPHGPZCYTQK-AEFFLSMTSA-N 0 0 411.502 2.876 20 30 HFEDRN C[C@H](OC(=O)c1csc(COc2ccc(F)cc2)n1)C(=O)NC1(C#N)CCC1 ZINC000787595862 1076886693 /nfs/dbraw/zinc/88/66/93/1076886693.db2.gz CKTPOGHEHOVSPZ-LBPRGKRZSA-N 0 0 403.435 2.969 20 30 HFEDRN C[C@H](OC(=O)c1ccccc1NC(=O)Cc1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787602502 1076888689 /nfs/dbraw/zinc/88/86/89/1076888689.db2.gz HBFPJGYOKRLKML-INIZCTEOSA-N 0 0 405.454 2.976 20 30 HFEDRN Cc1nn(-c2ccccc2)c2ncc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)cc12 ZINC000787638876 1076891966 /nfs/dbraw/zinc/89/19/66/1076891966.db2.gz ABELFDZFUMZYQP-HNNXBMFYSA-N 0 0 403.442 2.837 20 30 HFEDRN C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CCC1 ZINC000787641725 1076893092 /nfs/dbraw/zinc/89/30/92/1076893092.db2.gz KVQNZNICFBBLGV-MNOVXSKESA-N 0 0 413.243 2.850 20 30 HFEDRN Cc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)c1I ZINC000787642732 1076894222 /nfs/dbraw/zinc/89/42/22/1076894222.db2.gz FDAWIXTUMSALGL-LLVKDONJSA-N 0 0 412.227 2.707 20 30 HFEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)C2)c1 ZINC000787655633 1076899912 /nfs/dbraw/zinc/89/99/12/1076899912.db2.gz QBTIVOIMQUUSGG-QZTJIDSGSA-N 0 0 411.502 2.650 20 30 HFEDRN C[C@@H](OC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(=O)NC1(C#N)CCC1 ZINC000787662865 1076903556 /nfs/dbraw/zinc/90/35/56/1076903556.db2.gz PNCANMQLLCGJDN-DGCLKSJQSA-N 0 0 424.284 2.840 20 30 HFEDRN CCOC(=O)CON=C(C(=O)Nc1ccc(Oc2ccncc2)c(C)c1)c1cc[nH]n1 ZINC000787720288 1076907509 /nfs/dbraw/zinc/90/75/09/1076907509.db2.gz JCLKJXIEOABJIR-UHFFFAOYSA-N 0 0 423.429 2.828 20 30 HFEDRN C[C@H](OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787683269 1076910037 /nfs/dbraw/zinc/91/00/37/1076910037.db2.gz 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/nfs/dbraw/zinc/52/55/59/1080525559.db2.gz HMJLJSIRSFAMIZ-OAHLLOKOSA-N 0 0 406.772 2.834 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1)c1ccc(Cl)cc1F ZINC000807328183 1080525592 /nfs/dbraw/zinc/52/55/92/1080525592.db2.gz XPZLBMMGHMODRK-INIZCTEOSA-N 0 0 414.824 2.652 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc(C)ccn1)c1ccc(Cl)cc1F ZINC000807327934 1080525962 /nfs/dbraw/zinc/52/59/62/1080525962.db2.gz KSHQCBHTRNJXOY-INIZCTEOSA-N 0 0 411.824 2.797 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(OC)c1OC)c1ccc(Cl)cc1F ZINC000807327688 1080526369 /nfs/dbraw/zinc/52/63/69/1080526369.db2.gz DDHIWHNNVKZEKJ-AWEZNQCLSA-N 0 0 420.824 2.934 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)c1ccc(Cl)cc1F ZINC000807329262 1080527100 /nfs/dbraw/zinc/52/71/00/1080527100.db2.gz SPIDZABSQBKVDY-GOSISDBHSA-N 0 0 411.824 2.548 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(OCCOC)c1)c1ccc(Cl)cc1F ZINC000807328723 1080527457 /nfs/dbraw/zinc/52/74/57/1080527457.db2.gz SOQZFJDJPWJJHD-SFHVURJKSA-N 0 0 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LYPCBNOVXGYDQM-UHFFFAOYSA-N 0 0 400.851 2.547 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000804830863 1078672367 /nfs/dbraw/zinc/67/23/67/1078672367.db2.gz AOYMPJYTXMOMCG-BUHFOSPRSA-N 0 0 417.509 2.562 20 30 HFEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCC2)CC1 ZINC000804623627 1078675162 /nfs/dbraw/zinc/67/51/62/1078675162.db2.gz DPVZRZJXXWUITE-QGZVFWFLSA-N 0 0 403.548 2.933 20 30 HFEDRN C#C[C@H](CC)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001129729576 1078679120 /nfs/dbraw/zinc/67/91/20/1078679120.db2.gz ZXIWYTBQOVOUHC-DJIMGWMZSA-N 0 0 412.349 2.571 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000804836927 1078679471 /nfs/dbraw/zinc/67/94/71/1078679471.db2.gz ZNOUGUICILMUEW-UHFFFAOYSA-N 0 0 420.469 2.539 20 30 HFEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(N)=O)c(Cl)n3)CC2)c(F)c1 ZINC000804628201 1078680486 /nfs/dbraw/zinc/68/04/86/1078680486.db2.gz XMVOTWRSSXBWSG-UHFFFAOYSA-N 0 0 402.813 2.528 20 30 HFEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC1(n2cnnn2)CCOCC1 ZINC001129975030 1078681287 /nfs/dbraw/zinc/68/12/87/1078681287.db2.gz QQRFFVHELGLAPM-CQSZACIVSA-N 0 0 422.411 2.529 20 30 HFEDRN C#CC[C@]1(C(=O)NCc2ccc(C[S@](C)=O)cc2)CCCN1C(=O)OC(C)(C)C ZINC000804861936 1078688002 /nfs/dbraw/zinc/68/80/02/1078688002.db2.gz ATWAZWDBOZTETA-MNNSJKJDSA-N 0 0 418.559 2.974 20 30 HFEDRN C=CCOc1ccc(/C=C\C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc1OC ZINC001129753257 1078694349 /nfs/dbraw/zinc/69/43/49/1078694349.db2.gz QRMUJTMZJWUOKB-XOYLTFLUSA-N 0 0 417.502 2.805 20 30 HFEDRN C#CC[C@@]1(C(=O)NCc2nccc(C(F)(F)F)n2)CCCN1C(=O)OC(C)(C)C ZINC001129758936 1078702910 /nfs/dbraw/zinc/70/29/10/1078702910.db2.gz XONAJWNOVKBNDL-SFHVURJKSA-N 0 0 412.412 2.905 20 30 HFEDRN CS(=O)(=O)c1c(F)cccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001129761642 1078705664 /nfs/dbraw/zinc/70/56/64/1078705664.db2.gz WESRNTIMMDXONQ-CYBMUJFWSA-N 0 0 405.426 2.705 20 30 HFEDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000804883653 1078709859 /nfs/dbraw/zinc/70/98/59/1078709859.db2.gz ZFNBAYBNMYRQQT-MRXNPFEDSA-N 0 0 421.881 2.836 20 30 HFEDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000804885378 1078713626 /nfs/dbraw/zinc/71/36/26/1078713626.db2.gz PCVXQBWYQRGVPS-MRXNPFEDSA-N 0 0 421.881 2.836 20 30 HFEDRN N#CCn1c(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc2ccccc21 ZINC000804636016 1078718972 /nfs/dbraw/zinc/71/89/72/1078718972.db2.gz VMBNNRGPSDOFCB-ZWKOTPCHSA-N 0 0 410.474 2.675 20 30 HFEDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000804885807 1078714950 /nfs/dbraw/zinc/71/49/50/1078714950.db2.gz UOLGCZUWDZVXQR-SFHVURJKSA-N 0 0 415.490 2.502 20 30 HFEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000804639158 1078725716 /nfs/dbraw/zinc/72/57/16/1078725716.db2.gz WLRVGKPTLXOUSN-ROUUACIJSA-N 0 0 424.419 2.953 20 30 HFEDRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(OC(F)(F)F)c1C#N ZINC001129749806 1078729709 /nfs/dbraw/zinc/72/97/09/1078729709.db2.gz OEHDCTIFZADVHF-UHFFFAOYSA-N 0 0 417.365 2.861 20 30 HFEDRN N#Cc1ccccc1OCCN1C(=O)c2ccc(Br)cc2S1(=O)=O ZINC000804921895 1078742267 /nfs/dbraw/zinc/74/22/67/1078742267.db2.gz MMWGWHQTSVGAQX-UHFFFAOYSA-N 0 0 407.245 2.544 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000804894292 1078751989 /nfs/dbraw/zinc/75/19/89/1078751989.db2.gz ZLHAYZUYEOENJP-JOCHJYFZSA-N 0 0 405.498 2.593 20 30 HFEDRN COC[C@]1(CNC(=O)NCc2cccc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC000804946416 1078775242 /nfs/dbraw/zinc/77/52/42/1078775242.db2.gz LNOZJVKLFDXYIY-OAQYLSRUSA-N 0 0 402.495 2.774 20 30 HFEDRN C#CCCCS(=O)(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000804950879 1078778171 /nfs/dbraw/zinc/77/81/71/1078778171.db2.gz HIENLKNCBBTLPO-INIZCTEOSA-N 0 0 402.438 2.702 20 30 HFEDRN CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001130004638 1078781822 /nfs/dbraw/zinc/78/18/22/1078781822.db2.gz TUFXYOQZNCHNMZ-HZPDHXFCSA-N 0 0 403.479 2.920 20 30 HFEDRN CC(C)CCN(CCC#N)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000804989889 1078793079 /nfs/dbraw/zinc/79/30/79/1078793079.db2.gz KWSRKWROYUEFPT-UHFFFAOYSA-N 0 0 412.455 2.931 20 30 HFEDRN C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H](O)c1ccc(F)cc1 ZINC000805012092 1078823581 /nfs/dbraw/zinc/82/35/81/1078823581.db2.gz ZGPYOYULPXITBI-QLJPJBMISA-N 0 0 413.268 2.860 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CCO)c1cccs1 ZINC000805014014 1078825298 /nfs/dbraw/zinc/82/52/98/1078825298.db2.gz NIJIFACMHWFPOL-LBPRGKRZSA-N 0 0 401.307 2.784 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H](O)c1c(F)cccc1F ZINC000805014090 1078825629 /nfs/dbraw/zinc/82/56/29/1078825629.db2.gz PNMWVSBKMMUHKR-ZDUSSCGKSA-N 0 0 417.231 2.611 20 30 HFEDRN Cc1nc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(Br)n1C ZINC000805022546 1078833852 /nfs/dbraw/zinc/83/38/52/1078833852.db2.gz WCQKKMYXHOPSKO-CABCVRRESA-N 0 0 423.336 2.952 20 30 HFEDRN C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H](O)c1cccc(F)c1 ZINC000805028209 1078841126 /nfs/dbraw/zinc/84/11/26/1078841126.db2.gz XZXDLUDUGROKPV-MGPLVRAMSA-N 0 0 413.268 2.860 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000805010554 1078855043 /nfs/dbraw/zinc/85/50/43/1078855043.db2.gz IMJGPXKDOWEIBP-SFHVURJKSA-N 0 0 421.316 2.823 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](c2ccncc2)C1 ZINC000805091308 1078918751 /nfs/dbraw/zinc/91/87/51/1078918751.db2.gz GYLWOVUSVURWGS-INIZCTEOSA-N 0 0 418.475 2.529 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C4CCCC4)C3)CC2)cc1 ZINC001130093086 1078937847 /nfs/dbraw/zinc/93/78/47/1078937847.db2.gz FWIUIWSOPLYVCV-HXUWFJFHSA-N 0 0 415.559 2.998 20 30 HFEDRN C#C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(C)(C)C ZINC000805146827 1078944619 /nfs/dbraw/zinc/94/46/19/1078944619.db2.gz MWWLYJMQLNQIAA-MRXNPFEDSA-N 0 0 420.984 2.697 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(-n3cccc3)ccn2)c1 ZINC000805177990 1078962466 /nfs/dbraw/zinc/96/24/66/1078962466.db2.gz ULOMZPPYEXQHJE-GFMRDNFCSA-N 0 0 423.498 2.937 20 30 HFEDRN COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)C[C@H]1c1ccc(F)cc1F ZINC001130127382 1078979272 /nfs/dbraw/zinc/97/92/72/1078979272.db2.gz HWERPNPLXRRTPJ-DLBZAZTESA-N 0 0 400.381 2.874 20 30 HFEDRN C=CCn1cc(CNC(=O)c2cc(OC)ccc2OCC(F)(F)C(F)F)nn1 ZINC001130122461 1078992233 /nfs/dbraw/zinc/99/22/33/1078992233.db2.gz OEZIROOELNJJBL-UHFFFAOYSA-N 0 0 402.348 2.682 20 30 HFEDRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000805300989 1078995245 /nfs/dbraw/zinc/99/52/45/1078995245.db2.gz HOBOMLPZNFSVOI-GOSISDBHSA-N 0 0 414.506 2.584 20 30 HFEDRN C#C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F ZINC000805275740 1079004880 /nfs/dbraw/zinc/00/48/80/1079004880.db2.gz NYYOYUATGRLKSP-GOSISDBHSA-N 0 0 423.897 2.903 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)CC)cc2C1=O ZINC000805284899 1079009790 /nfs/dbraw/zinc/00/97/90/1079009790.db2.gz ZRUQWAKWEMPRLH-INIZCTEOSA-N 0 0 413.474 2.552 20 30 HFEDRN COc1cccc(C2(CNC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CCCC2)c1 ZINC000805290853 1079013416 /nfs/dbraw/zinc/01/34/16/1079013416.db2.gz RJFNTKUNFVIHIS-UHFFFAOYSA-N 0 0 421.497 2.820 20 30 HFEDRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805291068 1079013443 /nfs/dbraw/zinc/01/34/43/1079013443.db2.gz RUTCHVVVUDXJJZ-QZTJIDSGSA-N 0 0 416.497 2.993 20 30 HFEDRN C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1-c1ccccc1 ZINC000805329632 1079021389 /nfs/dbraw/zinc/02/13/89/1079021389.db2.gz ARQWRKNUGKDJLK-OAHLLOKOSA-N 0 0 424.482 2.605 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)/C(=C/c1cccc(F)c1)n1nnnc1C ZINC000805358259 1079019062 /nfs/dbraw/zinc/01/90/62/1079019062.db2.gz JAXJOIGCAGJMKY-WQRHYEAKSA-N 0 0 423.404 2.621 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000805334030 1079023683 /nfs/dbraw/zinc/02/36/83/1079023683.db2.gz UQICVXCYOIFKRD-LJQANCHMSA-N 0 0 408.454 2.846 20 30 HFEDRN N#CCSCCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000805346015 1079028010 /nfs/dbraw/zinc/02/80/10/1079028010.db2.gz XLXRCRDILPRUAU-UHFFFAOYSA-N 0 0 422.572 2.766 20 30 HFEDRN Cc1cc(C(=O)OCCCSCC#N)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000805353747 1079030117 /nfs/dbraw/zinc/03/01/17/1079030117.db2.gz YQTBFINHTWZWFC-UHFFFAOYSA-N 0 0 421.544 2.604 20 30 HFEDRN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCCSCC#N ZINC000805381810 1079053552 /nfs/dbraw/zinc/05/35/52/1079053552.db2.gz LGEXGVUSFSPXJI-NRFANRHFSA-N 0 0 415.515 2.812 20 30 HFEDRN CN(C)C(=O)Sc1cc(NC(=O)CCNC(=O)C2N=CC=CC2=O)ccc1Cl ZINC000805439686 1079065606 /nfs/dbraw/zinc/06/56/06/1079065606.db2.gz JMOHNSDXVPZPCG-MSUUIHNZSA-N 0 0 422.894 2.969 20 30 HFEDRN N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000747243795 1079086070 /nfs/dbraw/zinc/08/60/70/1079086070.db2.gz UUGCQNAUXQSERJ-KPKJPENVSA-N 0 0 402.451 2.685 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000805486263 1079097522 /nfs/dbraw/zinc/09/75/22/1079097522.db2.gz HELLEFRBFAMXRQ-AWEZNQCLSA-N 0 0 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420.512 2.569 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)cc2C1=O ZINC001130229272 1079113938 /nfs/dbraw/zinc/11/39/38/1079113938.db2.gz PRXWRAVXXHKGCB-QGZVFWFLSA-N 0 0 400.475 2.812 20 30 HFEDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)OCCOc2ccc(C#N)cc2OC)cc1 ZINC000805553913 1079140057 /nfs/dbraw/zinc/14/00/57/1079140057.db2.gz CLCKARHCLKCBAI-LJQANCHMSA-N 0 0 424.453 2.802 20 30 HFEDRN COc1ccc(-n2cc(O)c(C(=O)OCCOc3ccc(C#N)cc3OC)n2)cc1 ZINC000805555112 1079140548 /nfs/dbraw/zinc/14/05/48/1079140548.db2.gz NIJVWGHHBODEBL-UHFFFAOYSA-N 0 0 409.398 2.703 20 30 HFEDRN Cc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(F)(F)F)o1 ZINC001130252598 1079141685 /nfs/dbraw/zinc/14/16/85/1079141685.db2.gz XMWNLMJSEYMXLT-HNNXBMFYSA-N 0 0 415.393 2.813 20 30 HFEDRN CCOC(=O)[C@@]1(CCOC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCCC1=O ZINC000805586594 1079163472 /nfs/dbraw/zinc/16/34/72/1079163472.db2.gz FFTYFPTXVSNYJO-OPAMFIHVSA-N 0 0 416.449 2.759 20 30 HFEDRN CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805587980 1079164725 /nfs/dbraw/zinc/16/47/25/1079164725.db2.gz SPOGISGGWDEXSZ-QGZVFWFLSA-N 0 0 413.424 2.865 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N3CCc4sccc4C3)C2)c(F)c1 ZINC000805589097 1079165670 /nfs/dbraw/zinc/16/56/70/1079165670.db2.gz XPYNAQGKGXKWLU-MRXNPFEDSA-N 0 0 413.474 2.713 20 30 HFEDRN CN(C(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1(C#N)CCCCC1 ZINC000805588979 1079165691 /nfs/dbraw/zinc/16/56/91/1079165691.db2.gz WZZSTJPQKUVCBW-KRWDZBQOSA-N 0 0 412.465 2.752 20 30 HFEDRN CS(=O)(=O)Nc1ccc(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000805590056 1079166130 /nfs/dbraw/zinc/16/61/30/1079166130.db2.gz RFMDVVXQOUCOKW-INIZCTEOSA-N 0 0 417.462 2.639 20 30 HFEDRN Cc1ccn2c(c1)nc(COC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)cc2=O ZINC000805590938 1079167435 /nfs/dbraw/zinc/16/74/35/1079167435.db2.gz JSGDFTCLPODBIX-MRXNPFEDSA-N 0 0 406.417 2.583 20 30 HFEDRN Cc1ccn2c(c1)nc(COC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)cc2=O ZINC000805590937 1079167444 /nfs/dbraw/zinc/16/74/44/1079167444.db2.gz JSGDFTCLPODBIX-INIZCTEOSA-N 0 0 406.417 2.583 20 30 HFEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C(=O)OC)c2ccnn2C)s1 ZINC001130307219 1079202152 /nfs/dbraw/zinc/20/21/52/1079202152.db2.gz VYBLLQLAHCGFKW-AWEZNQCLSA-N 0 0 414.940 2.603 20 30 HFEDRN C[C@H](OCC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1)c1nccn1C ZINC000805685527 1079217891 /nfs/dbraw/zinc/21/78/91/1079217891.db2.gz CGVOAJPCYKTHDE-AWEZNQCLSA-N 0 0 404.854 2.641 20 30 HFEDRN C[C@H](OC(=O)CO[C@@H](C)c1nccn1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000805687553 1079218665 /nfs/dbraw/zinc/21/86/65/1079218665.db2.gz YVOPPROBNOKWRW-GJZGRUSLSA-N 0 0 402.426 2.515 20 30 HFEDRN COC(OC)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 ZINC001130352833 1079238067 /nfs/dbraw/zinc/23/80/67/1079238067.db2.gz JYMLMIMZNDOBNF-LJQANCHMSA-N 0 0 416.499 2.854 20 30 HFEDRN COC(OC)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 ZINC001130352832 1079238166 /nfs/dbraw/zinc/23/81/66/1079238166.db2.gz JYMLMIMZNDOBNF-IBGZPJMESA-N 0 0 416.499 2.854 20 30 HFEDRN C#C[C@H](NC(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccc(Cl)cc1F ZINC000805777874 1079249293 /nfs/dbraw/zinc/24/92/93/1079249293.db2.gz NUOSFTJOKCEJDC-BBRMVZONSA-N 0 0 419.844 2.578 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000805783011 1079251359 /nfs/dbraw/zinc/25/13/59/1079251359.db2.gz SBAKDGHUGUGAAV-NRFANRHFSA-N 0 0 405.498 2.797 20 30 HFEDRN CCN(C)C(=O)OC[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000805761631 1079262573 /nfs/dbraw/zinc/26/25/73/1079262573.db2.gz CPJMKAVWQKJBNE-LJQANCHMSA-N 0 0 424.505 2.625 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccncc1 ZINC000805810432 1079285078 /nfs/dbraw/zinc/28/50/78/1079285078.db2.gz DYSQXIWROUGYNK-SFTDATJTSA-N 0 0 423.513 2.998 20 30 HFEDRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCc3nc(C#N)ccc32)cc1 ZINC001130382763 1079280956 /nfs/dbraw/zinc/28/09/56/1079280956.db2.gz HYZGGBGLMAQXHC-FQEVSTJZSA-N 0 0 422.510 2.846 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccncc1 ZINC000805807696 1079282724 /nfs/dbraw/zinc/28/27/24/1079282724.db2.gz MRRKVUTVJAQYLI-HXUWFJFHSA-N 0 0 411.477 2.550 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806960 1079283243 /nfs/dbraw/zinc/28/32/43/1079283243.db2.gz XLNNNYYYKGDXOZ-YADHBBJMSA-N 0 0 406.530 2.938 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1)c1ccncc1 ZINC000805811324 1079286079 /nfs/dbraw/zinc/28/60/79/1079286079.db2.gz PFXHOCADGIMKLD-JOCHJYFZSA-N 0 0 422.529 2.558 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000805812787 1079286418 /nfs/dbraw/zinc/28/64/18/1079286418.db2.gz DHZMPVSSWVGXSF-MLGOLLRUSA-N 0 0 403.280 2.850 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000805812788 1079286519 /nfs/dbraw/zinc/28/65/19/1079286519.db2.gz DHZMPVSSWVGXSF-WBMJQRKESA-N 0 0 403.280 2.850 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1ccncc1 ZINC000805812183 1079286880 /nfs/dbraw/zinc/28/68/80/1079286880.db2.gz RZULNUYEQCPZNS-RBUKOAKNSA-N 0 0 401.413 2.693 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805812839 1079287307 /nfs/dbraw/zinc/28/73/07/1079287307.db2.gz AMZISLUFZKFASO-KNKQGSTJSA-N 0 0 406.530 2.936 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N(CCc1ccccn1)Cc1cccnc1)c1ccncc1 ZINC000805814391 1079287897 /nfs/dbraw/zinc/28/78/97/1079287897.db2.gz BQXZFBUECMKQDB-QFIPXVFZSA-N 0 0 415.497 2.877 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1)c1ccncc1 ZINC000805815715 1079288637 /nfs/dbraw/zinc/28/86/37/1079288637.db2.gz UKYZXMHUWUQRKD-NHCUHLMSSA-N 0 0 424.570 2.549 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000805816381 1079289452 /nfs/dbraw/zinc/28/94/52/1079289452.db2.gz ZGDDJMHOQOVXDK-MSOLQXFVSA-N 0 0 416.522 2.721 20 30 HFEDRN COC[C@@]1(CNC(=O)NCc2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C ZINC000805858659 1079305280 /nfs/dbraw/zinc/30/52/80/1079305280.db2.gz TWLGVEITBIPFFK-NRFANRHFSA-N 0 0 420.485 2.913 20 30 HFEDRN C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000805869799 1079311857 /nfs/dbraw/zinc/31/18/57/1079311857.db2.gz CCCLUURLEDLKPI-LBPRGKRZSA-N 0 0 410.287 2.820 20 30 HFEDRN COC(=O)c1ccc(OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000805920624 1079334231 /nfs/dbraw/zinc/33/42/31/1079334231.db2.gz MTFNTUFZSCESAZ-CYBMUJFWSA-N 0 0 413.361 2.824 20 30 HFEDRN Cc1oc(C(=O)N(C)c2ccc(C#N)nc2)cc1CN1C(=O)c2ccccc2C1=O ZINC001130448002 1079348935 /nfs/dbraw/zinc/34/89/35/1079348935.db2.gz GECKNTJVEMSZNI-UHFFFAOYSA-N 0 0 400.394 2.928 20 30 HFEDRN CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805928463 1079358758 /nfs/dbraw/zinc/35/87/58/1079358758.db2.gz NSGAKJQQOFMDPH-OALUTQOASA-N 0 0 404.445 2.891 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](C(=O)OCC3CCN(c4cnccn4)CC3)C2)c(F)c1 ZINC000805932262 1079361457 /nfs/dbraw/zinc/36/14/57/1079361457.db2.gz UFLXNMYFVQZIQG-GOSISDBHSA-N 0 0 409.465 2.773 20 30 HFEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCc2cccc(Br)n2)cc1 ZINC000805986934 1079367414 /nfs/dbraw/zinc/36/74/14/1079367414.db2.gz WSLJPKPTVSJDBX-UHFFFAOYSA-N 0 0 411.277 2.665 20 30 HFEDRN C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)NCc1ccccn1 ZINC000805955849 1079373172 /nfs/dbraw/zinc/37/31/72/1079373172.db2.gz JVCAZUWRSCEEKQ-HNNXBMFYSA-N 0 0 405.410 2.987 20 30 HFEDRN Cc1nc(-c2ccccn2)[nH]c(=O)c1CCOC(=O)Cc1ccc(OCC#N)cc1 ZINC000806017211 1079391733 /nfs/dbraw/zinc/39/17/33/1079391733.db2.gz BEBXGSXQCGPYDX-UHFFFAOYSA-N 0 0 404.426 2.783 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCOC2CCCC2)c1 ZINC000747294078 1079393077 /nfs/dbraw/zinc/39/30/77/1079393077.db2.gz JJEIGNQKCZGHLE-NMWGTECJSA-N 0 0 422.551 2.970 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000805999229 1079396894 /nfs/dbraw/zinc/39/68/94/1079396894.db2.gz YIMMCBARDFUVGS-JOCHJYFZSA-N 0 0 411.523 2.708 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3c(C)cc(C)cc32)ccc1F ZINC001130489016 1079412593 /nfs/dbraw/zinc/41/25/93/1079412593.db2.gz CUHZTRSELFGYOP-UHFFFAOYSA-N 0 0 404.463 2.946 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)OCCc3nnc(-c4ccccc4)o3)cc2C1=O ZINC000806111700 1079441026 /nfs/dbraw/zinc/44/10/26/1079441026.db2.gz RJLQZYMSSWNFCN-UHFFFAOYSA-N 0 0 403.394 2.918 20 30 HFEDRN C#C[C@H](NC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F ZINC000806169526 1079460499 /nfs/dbraw/zinc/46/04/99/1079460499.db2.gz MTHKRERLJKREOE-CJNGLKHVSA-N 0 0 424.885 2.840 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000806173434 1079463688 /nfs/dbraw/zinc/46/36/88/1079463688.db2.gz JBHMRAWUZLQVLU-SFHVURJKSA-N 0 0 401.488 2.625 20 30 HFEDRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)Nc1cccc(OCC#N)c1 ZINC000806209649 1079494688 /nfs/dbraw/zinc/49/46/88/1079494688.db2.gz CFMDZDKNEPCAHQ-UHFFFAOYSA-N 0 0 422.894 2.651 20 30 HFEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc2cc[nH]c21 ZINC000787368954 1076776217 /nfs/dbraw/zinc/77/62/17/1076776217.db2.gz YJBAWJNGAILTKA-GOSISDBHSA-N 0 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C=C(CNC(=O)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1)c1ccccc1 ZINC000807489307 1080675712 /nfs/dbraw/zinc/67/57/12/1080675712.db2.gz OYTROCQLZBQECZ-UHFFFAOYSA-N 0 0 419.403 2.975 20 30 HFEDRN Cc1cc(C#N)cc(N(C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)C2CC2)n1 ZINC001130964775 1080728990 /nfs/dbraw/zinc/72/89/90/1080728990.db2.gz BWXRVWDLZLQNCW-ZIAGYGMSSA-N 0 0 409.490 2.504 20 30 HFEDRN O=C(Nc1ccc(C2(O)COC2)cc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000807532847 1080746387 /nfs/dbraw/zinc/74/63/87/1080746387.db2.gz QKZLSJQEOWKFIS-UHFFFAOYSA-N 0 0 418.474 2.943 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cnc(Br)c(Br)c1)C(C)(C)C ZINC000807536093 1080751340 /nfs/dbraw/zinc/75/13/40/1080751340.db2.gz OZXVMMXJXUVWEZ-SNVBAGLBSA-N 0 0 417.101 2.709 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000807535999 1080751783 /nfs/dbraw/zinc/75/17/83/1080751783.db2.gz IVBPMSGODWZPME-LJQANCHMSA-N 0 0 412.511 2.763 20 30 HFEDRN C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2F)C[C@H](C)O1 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CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]21 ZINC001164823060 720419365 /nfs/dbraw/zinc/41/93/65/720419365.db2.gz HHUXBWPNTVHOTK-YUELXQCFSA-N 0 0 412.868 2.765 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21 ZINC001164823005 720419629 /nfs/dbraw/zinc/41/96/29/720419629.db2.gz GJVCJIIOOVEECS-KFWWJZLASA-N 0 0 412.868 2.765 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)nc1Cl ZINC001164756061 721002686 /nfs/dbraw/zinc/00/26/86/721002686.db2.gz DKECNSXMHXQIGP-JYJNAYRXSA-N 0 0 406.820 2.967 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)cc(Cl)n1 ZINC001164762437 721005519 /nfs/dbraw/zinc/00/55/19/721005519.db2.gz VSSDXGOHYZURAX-ZACQAIPSSA-N 0 0 406.820 2.967 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2OCC(=O)N(c3cccc(F)c3)[C@H]2C1 ZINC001164881596 721363683 /nfs/dbraw/zinc/36/36/83/721363683.db2.gz FFGMEYGCGDVZIS-HOTGVXAUSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@H]2C1 ZINC001164881600 721363974 /nfs/dbraw/zinc/36/39/74/721363974.db2.gz FFGMEYGCGDVZIS-JKSUJKDBSA-N 0 0 422.794 2.911 20 30 HFEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164889387 721374566 /nfs/dbraw/zinc/37/45/66/721374566.db2.gz ZGIWRVLTNRYLAT-MRXNPFEDSA-N 0 0 418.897 2.936 20 30 HFEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164887480 721375880 /nfs/dbraw/zinc/37/58/80/721375880.db2.gz RZYFNGOOWHDLNK-MRXNPFEDSA-N 0 0 418.897 2.936 20 30 HFEDRN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784695 721420170 /nfs/dbraw/zinc/42/01/70/721420170.db2.gz LBTJXKUDVCISMD-GASCZTMLSA-N 0 0 410.547 2.963 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)nc1Cl ZINC001164895335 721480255 /nfs/dbraw/zinc/48/02/55/721480255.db2.gz LFQOKADQDXYYMQ-KSSFIOAISA-N 0 0 410.852 2.521 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001164899273 721480659 /nfs/dbraw/zinc/48/06/59/721480659.db2.gz YVJMTMHCTBQJSJ-ACJLOTCBSA-N 0 0 410.852 2.521 20 30 HFEDRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164803799 721552214 /nfs/dbraw/zinc/55/22/14/721552214.db2.gz JDRJCSKUYJNVEU-OTWHNJEPSA-N 0 0 408.893 2.742 20 30 HFEDRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164803801 721552481 /nfs/dbraw/zinc/55/24/81/721552481.db2.gz JDRJCSKUYJNVEU-QRVBRYPASA-N 0 0 408.893 2.742 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001165008301 721710122 /nfs/dbraw/zinc/71/01/22/721710122.db2.gz DRCMSAVHLFCTSN-UHFFFAOYSA-N 0 0 424.553 2.780 20 30 HFEDRN C=CCN1CCN(c2ncc3c(n2)N([C@@H]2CCC(F)(F)C2)[C@H](CC)C(=O)N3C)CC1 ZINC001165032279 721869479 /nfs/dbraw/zinc/86/94/79/721869479.db2.gz MYBCGRMXDXJFMN-HZPDHXFCSA-N 0 0 420.508 2.534 20 30 HFEDRN C=CCN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165032458 721870590 /nfs/dbraw/zinc/87/05/90/721870590.db2.gz SYSPWLCJUFFAMQ-UHFFFAOYSA-N 0 0 413.591 2.710 20 30 HFEDRN COc1cc(C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)c(C#N)c(Cl)n1 ZINC001164956580 722050415 /nfs/dbraw/zinc/05/04/15/722050415.db2.gz AWXMXMLAPNSZIP-UHFFFAOYSA-N 0 0 420.807 2.956 20 30 HFEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCO2 ZINC001164976009 722168948 /nfs/dbraw/zinc/16/89/48/722168948.db2.gz IZTHOGIMUNVKPG-SCLBCKFNSA-N 0 0 415.868 2.957 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001165007194 722264192 /nfs/dbraw/zinc/26/41/92/722264192.db2.gz PYOLMOXNQZEAQW-OAQYLSRUSA-N 0 0 424.867 2.545 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc3c(cc1C#N)CCC3)C2 ZINC001165005956 722268370 /nfs/dbraw/zinc/26/83/70/722268370.db2.gz KREXISVRCTUEOI-HSZRJFAPSA-N 0 0 405.477 2.509 20 30 HFEDRN COc1ccc(CNC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1C#N ZINC000793011425 1078047881 /nfs/dbraw/zinc/04/78/81/1078047881.db2.gz UWRWAFRQJJGYID-OAHLLOKOSA-N 0 0 409.364 2.998 20 30 HFEDRN Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)n1 ZINC000793012632 1078048374 /nfs/dbraw/zinc/04/83/74/1078048374.db2.gz DWGFCTVZMXROQR-NRFANRHFSA-N 0 0 415.453 2.591 20 30 HFEDRN C#CCNC(=O)[C@H](C)Oc1cc(NC(C)=O)c(Br)cc1Br ZINC000790513421 1078048784 /nfs/dbraw/zinc/04/87/84/1078048784.db2.gz LUVFRSCCEJMIDX-QMMMGPOBSA-N 0 0 418.085 2.687 20 30 HFEDRN N#Cc1cccc(CNC(=O)COc2cc(F)cc(I)c2)c1 ZINC000790518769 1078049530 /nfs/dbraw/zinc/04/95/30/1078049530.db2.gz TZZWQUCEUMPMCM-UHFFFAOYSA-N 0 0 410.186 2.997 20 30 HFEDRN CC(C)(C)c1cc(NC(=O)C(=O)NC[C@H]2CCC=CO2)n(-c2ccc(C#N)cc2)n1 ZINC000793034663 1078052564 /nfs/dbraw/zinc/05/25/64/1078052564.db2.gz CBPUYXNCQGENRF-QGZVFWFLSA-N 0 0 407.474 2.789 20 30 HFEDRN C=CC[C@]1(C(=O)NCCC(=O)Nc2ccccn2)CCCN1C(=O)OC(C)(C)C ZINC000790563359 1078056938 /nfs/dbraw/zinc/05/69/38/1078056938.db2.gz DWKOVZVOGNFAKV-OAQYLSRUSA-N 0 0 402.495 2.872 20 30 HFEDRN O=C(NC1CC1)c1cc(F)c(N=NC2CCCc3c2cnn3-c2ncccn2)c(F)c1 ZINC000793024746 1078058596 /nfs/dbraw/zinc/05/85/96/1078058596.db2.gz JUUYUCUGKQOKAK-UHFFFAOYSA-N 0 0 423.427 2.985 20 30 HFEDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000793026862 1078059034 /nfs/dbraw/zinc/05/90/34/1078059034.db2.gz NQOJCHQAMMNQCX-CYBMUJFWSA-N 0 0 407.423 2.843 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC(N=Nc2ccc(C(N)=O)nn2)[C@@H](C2CCCC2)C1 ZINC000793026873 1078059115 /nfs/dbraw/zinc/05/91/15/1078059115.db2.gz NSKRLYOYLXDCDC-CQSZACIVSA-N 0 0 402.499 2.791 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000793079616 1078063590 /nfs/dbraw/zinc/06/35/90/1078063590.db2.gz ZWVGGSIMBTXGKO-GOEBONIOSA-N 0 0 402.886 2.769 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000746928114 1078066015 /nfs/dbraw/zinc/06/60/15/1078066015.db2.gz HJQXTSOGNGTCKM-UHFFFAOYSA-N 0 0 408.439 2.864 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000746928936 1078066555 /nfs/dbraw/zinc/06/65/55/1078066555.db2.gz 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/nfs/dbraw/zinc/78/64/96/1076786496.db2.gz HXPMPTBOMQHLCJ-ONGXBYRLSA-N 0 0 409.461 2.989 20 30 HFEDRN N#Cc1cccc(CNC(=O)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000787343898 1076786982 /nfs/dbraw/zinc/78/69/82/1076786982.db2.gz IMSRAWDCAWYCND-HXUWFJFHSA-N 0 0 403.438 2.530 20 30 HFEDRN C[C@H](NC(=O)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000787348802 1076789618 /nfs/dbraw/zinc/78/96/18/1076789618.db2.gz IZJGSOYSZVDYJS-MAUKXSAKSA-N 0 0 414.506 2.641 20 30 HFEDRN C[C@@H](NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000787349783 1076790516 /nfs/dbraw/zinc/79/05/16/1076790516.db2.gz NNUDHAGKAVZHPB-VFNWGFHPSA-N 0 0 409.461 2.847 20 30 HFEDRN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000787349278 1076790849 /nfs/dbraw/zinc/79/08/49/1076790849.db2.gz KTMXNTKPEMIKOG-HOTGVXAUSA-N 0 0 420.469 2.912 20 30 HFEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(N4CCOCC4)nc3)ccc21 ZINC000787354983 1076794014 /nfs/dbraw/zinc/79/40/14/1076794014.db2.gz PLIPZAUFCHXCMN-UHFFFAOYSA-N 0 0 419.485 2.753 20 30 HFEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2cc(C(C)C)nn2C)n1 ZINC000746680530 1076811140 /nfs/dbraw/zinc/81/11/40/1076811140.db2.gz DNLXINHLRXJUEB-UHFFFAOYSA-N 0 0 403.537 2.909 20 30 HFEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000787468187 1076833538 /nfs/dbraw/zinc/83/35/38/1076833538.db2.gz WIUANMGXPWALFO-NXVVXOECSA-N 0 0 424.442 2.599 20 30 HFEDRN Cc1cc(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)nn1CCC#N ZINC000787484089 1076841481 /nfs/dbraw/zinc/84/14/81/1076841481.db2.gz AGFIACDRJJXMHG-AWEZNQCLSA-N 0 0 413.482 2.805 20 30 HFEDRN Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000787555443 1076858648 /nfs/dbraw/zinc/85/86/48/1076858648.db2.gz GMNZRDNOSMUKTB-UHFFFAOYSA-N 0 0 421.457 2.784 20 30 HFEDRN N#Cc1ccc(OCC(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000787564290 1076865779 /nfs/dbraw/zinc/86/57/79/1076865779.db2.gz IGFKOLNVYNCPMW-LJQANCHMSA-N 0 0 400.381 2.950 20 30 HFEDRN C[C@@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000787574261 1076868855 /nfs/dbraw/zinc/86/88/55/1076868855.db2.gz FPOLKLJRTWJLHR-OFFHKIPUSA-N 0 0 409.364 2.851 20 30 HFEDRN C#CCN(C(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C1CCCC1 ZINC000787612517 1076878927 /nfs/dbraw/zinc/87/89/27/1076878927.db2.gz YUCJBDJHGWCCQD-HXUWFJFHSA-N 0 0 401.938 2.998 20 30 HFEDRN C[C@@H](OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)NC1(C#N)CCC1 ZINC000787618398 1076880302 /nfs/dbraw/zinc/88/03/02/1076880302.db2.gz DJQTWWJAHVPADX-YGRLFVJLSA-N 0 0 407.879 2.637 20 30 HFEDRN Cc1ccc(F)cc1NC(=O)C=NOCC(=O)Nc1ccccc1N1CCCC1=O ZINC000746699405 1076882688 /nfs/dbraw/zinc/88/26/88/1076882688.db2.gz OHICKBSARGHLEY-UHFFFAOYSA-N 0 0 412.421 2.841 20 30 HFEDRN COc1ccc(OC)c([C@@H](C)NC(=O)CON=CC(=O)Nc2cc(F)ccc2C)c1 ZINC000746698771 1076883385 /nfs/dbraw/zinc/88/33/85/1076883385.db2.gz BLEBVZIKTSEEGO-CQSZACIVSA-N 0 0 417.437 2.970 20 30 HFEDRN COc1ccc(CNC(=O)[C@@H](C)ON=CC(=O)Nc2cc(F)ccc2C)cc1OC ZINC000746698859 1076883590 /nfs/dbraw/zinc/88/35/90/1076883590.db2.gz IXUBWGQCYLZHEL-CQSZACIVSA-N 0 0 417.437 2.797 20 30 HFEDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787641728 1076893355 /nfs/dbraw/zinc/89/33/55/1076893355.db2.gz KVQNZNICFBBLGV-WDEREUQCSA-N 0 0 413.243 2.850 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787647716 1076896873 /nfs/dbraw/zinc/89/68/73/1076896873.db2.gz QOYZREGFUQYSTD-BDJLRTHQSA-N 0 0 405.813 2.558 20 30 HFEDRN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787659755 1076902079 /nfs/dbraw/zinc/90/20/79/1076902079.db2.gz YKOBPXXJBSJQHJ-BTYIYWSLSA-N 0 0 404.470 2.526 20 30 HFEDRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(=O)NC1(C#N)CCC1 ZINC000787668404 1076904905 /nfs/dbraw/zinc/90/49/05/1076904905.db2.gz TXDBIMOIRSICNP-NEPJUHHUSA-N 0 0 424.284 2.840 20 30 HFEDRN C[C@@H](OC(=O)c1cnn(-c2cccc(Br)c2)c1)C(=O)NC1(C#N)CCC1 ZINC000787694451 1076914994 /nfs/dbraw/zinc/91/49/94/1076914994.db2.gz CQWIQSKLLHPMPZ-GFCCVEGCSA-N 0 0 417.263 2.743 20 30 HFEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787754418 1076927954 /nfs/dbraw/zinc/92/79/54/1076927954.db2.gz DLSRGEXVUHIYNG-CYBMUJFWSA-N 0 0 419.407 2.720 20 30 HFEDRN C[C@H](OC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)NC1(C#N)CCC1 ZINC000787764711 1076931339 /nfs/dbraw/zinc/93/13/39/1076931339.db2.gz JKMYQKMNADRAKV-GJZGRUSLSA-N 0 0 405.495 2.518 20 30 HFEDRN C[C@@H](OC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)NC1(C#N)CCC1 ZINC000787764708 1076931354 /nfs/dbraw/zinc/93/13/54/1076931354.db2.gz JKMYQKMNADRAKV-CABCVRRESA-N 0 0 405.495 2.518 20 30 HFEDRN C[C@H](OC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000787722980 1076931475 /nfs/dbraw/zinc/93/14/75/1076931475.db2.gz LTGCHMWZKAZNLP-NSHDSACASA-N 0 0 404.373 2.786 20 30 HFEDRN O=C(OCc1ccc(F)cn1)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F ZINC000787745636 1076939677 /nfs/dbraw/zinc/93/96/77/1076939677.db2.gz QOSNORPZUXAAFE-UHFFFAOYSA-N 0 0 401.238 2.804 20 30 HFEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000787775844 1076943180 /nfs/dbraw/zinc/94/31/80/1076943180.db2.gz BOTGHJGGFQHYQR-UHFFFAOYSA-N 0 0 423.492 2.639 20 30 HFEDRN COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000787777300 1076943250 /nfs/dbraw/zinc/94/32/50/1076943250.db2.gz LJBKPZXJUVZIBX-FQEVSTJZSA-N 0 0 421.501 2.634 20 30 HFEDRN CC(C)(CNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1cccc(Cl)c1 ZINC000787777240 1076943254 /nfs/dbraw/zinc/94/32/54/1076943254.db2.gz ZSGBYKQFKRAVMD-UHFFFAOYSA-N 0 0 413.909 2.520 20 30 HFEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000787777227 1076943267 /nfs/dbraw/zinc/94/32/67/1076943267.db2.gz ZIBMDTFTERSDCR-HXUWFJFHSA-N 0 0 403.486 2.550 20 30 HFEDRN C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1c(Cl)cccc1Cl ZINC000787786719 1076946446 /nfs/dbraw/zinc/94/64/46/1076946446.db2.gz CEGFYOYUZOEASF-LBPRGKRZSA-N 0 0 420.300 2.708 20 30 HFEDRN CN(C(=O)C(=O)NCCNc1ncccc1C#N)C1c2ccccc2-c2ccccc21 ZINC000787786642 1076946454 /nfs/dbraw/zinc/94/64/54/1076946454.db2.gz AXTOIKFPQMCDOG-UHFFFAOYSA-N 0 0 411.465 2.710 20 30 HFEDRN Cc1cc(CNC(=O)C(=O)NCCNc2ncccc2C#N)ccc1-c1ccccc1 ZINC000787790038 1076947188 /nfs/dbraw/zinc/94/71/88/1076947188.db2.gz JAHWRFZEZRWODB-UHFFFAOYSA-N 0 0 413.481 2.773 20 30 HFEDRN Cc1nn(-c2ccccc2)c2nc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)ccc12 ZINC000787796397 1076948368 /nfs/dbraw/zinc/94/83/68/1076948368.db2.gz YNFAFYZSDQZPIO-HNNXBMFYSA-N 0 0 403.442 2.837 20 30 HFEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000787821065 1076953814 /nfs/dbraw/zinc/95/38/14/1076953814.db2.gz PPMGILVWDVDVDB-SECBINFHSA-N 0 0 403.660 2.589 20 30 HFEDRN N#Cc1c(NC(=O)COC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)sc2c1CCCCC2 ZINC000787840087 1076959815 /nfs/dbraw/zinc/95/98/15/1076959815.db2.gz JRXIUJCCDWBMIS-OLZOCXBDSA-N 0 0 403.504 2.662 20 30 HFEDRN CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787872383 1076968721 /nfs/dbraw/zinc/96/87/21/1076968721.db2.gz FMBPRXDWNVYKFW-NRFANRHFSA-N 0 0 403.479 2.923 20 30 HFEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)ccc21 ZINC000787873895 1076970523 /nfs/dbraw/zinc/97/05/23/1076970523.db2.gz OVJOHQOGBVZQMH-ZDUSSCGKSA-N 0 0 423.300 2.518 20 30 HFEDRN Cc1cnc(Cl)c(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000787891227 1076980078 /nfs/dbraw/zinc/98/00/78/1076980078.db2.gz PXRKZRIVLZIQPU-UHFFFAOYSA-N 0 0 413.865 2.755 20 30 HFEDRN Cc1cccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c1Br ZINC000787905947 1076989452 /nfs/dbraw/zinc/98/94/52/1076989452.db2.gz VRJLAIDBCOBNSJ-UHFFFAOYSA-N 0 0 402.248 2.915 20 30 HFEDRN C[C@H](OC(=O)c1cnn(CCO)c1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000787941301 1077018695 /nfs/dbraw/zinc/01/86/95/1077018695.db2.gz SLOIOTQOGMSAII-HNNXBMFYSA-N 0 0 404.426 2.598 20 30 HFEDRN Cc1sc(NC(=O)CN2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C#N)c1C ZINC000788004075 1077026332 /nfs/dbraw/zinc/02/63/32/1077026332.db2.gz RZZGACHRPOTXPK-UHFFFAOYSA-N 0 0 422.551 2.527 20 30 HFEDRN CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@H](c2ccnn2C)C(C)C)C1=O 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ROZLHCCTPPFIJT-NKFKGCMQSA-N 0 0 400.435 2.762 20 30 HFEDRN Cc1nn(C)c(N2CCN(C(=O)/C=C/c3ccccc3OC(F)(F)F)CC2)c1C#N ZINC000788114687 1077066174 /nfs/dbraw/zinc/06/61/74/1077066174.db2.gz RYXNKVFUPRIECD-BQYQJAHWSA-N 0 0 419.407 2.861 20 30 HFEDRN COCCOc1cc(OC)ccc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000788201656 1077078173 /nfs/dbraw/zinc/07/81/73/1077078173.db2.gz WOBCWIDNWDLGFF-MRXNPFEDSA-N 0 0 416.455 2.616 20 30 HFEDRN C#CCC1(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000788211902 1077080166 /nfs/dbraw/zinc/08/01/66/1077080166.db2.gz CUVXGMMJIYCDHF-UHFFFAOYSA-N 0 0 402.516 2.550 20 30 HFEDRN C#CCn1cc(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cn1 ZINC000788214456 1077080899 /nfs/dbraw/zinc/08/08/99/1077080899.db2.gz JTPDQNSGQRFDQL-SFHVURJKSA-N 0 0 407.301 2.513 20 30 HFEDRN C#CCn1cc(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cn1 ZINC000788214455 1077080934 /nfs/dbraw/zinc/08/09/34/1077080934.db2.gz JTPDQNSGQRFDQL-GOSISDBHSA-N 0 0 407.301 2.513 20 30 HFEDRN 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VNKMJERVSJSWLD-UHFFFAOYSA-N 0 0 400.254 2.957 20 30 HFEDRN C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000789767795 1077770192 /nfs/dbraw/zinc/77/01/92/1077770192.db2.gz AKBGBPNXFPVBTG-UHFFFAOYSA-N 0 0 417.252 2.999 20 30 HFEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC000789745702 1077779268 /nfs/dbraw/zinc/77/92/68/1077779268.db2.gz DPBLYOZUOJNBMW-HXUWFJFHSA-N 0 0 402.882 2.731 20 30 HFEDRN N#Cc1cccnc1N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746858314 1077790786 /nfs/dbraw/zinc/79/07/86/1077790786.db2.gz DMUNBMGHACDHCL-UHFFFAOYSA-N 0 0 402.911 2.626 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)n1 ZINC000789793561 1077798973 /nfs/dbraw/zinc/79/89/73/1077798973.db2.gz MUFVLYJAJATPOC-UHFFFAOYSA-N 0 0 411.481 2.633 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(C)cc(Br)c2)n1 ZINC000789792891 1077799769 /nfs/dbraw/zinc/79/97/69/1077799769.db2.gz AMQYZJNGWCXDHP-UHFFFAOYSA-N 0 0 403.280 2.574 20 30 HFEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000789795491 1077801060 /nfs/dbraw/zinc/80/10/60/1077801060.db2.gz BDHOHMGFRCQISX-UHFFFAOYSA-N 0 0 406.486 2.576 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000792348501 1077810735 /nfs/dbraw/zinc/81/07/35/1077810735.db2.gz YLMCCTWOHHYLBP-NRFANRHFSA-N 0 0 410.445 2.939 20 30 HFEDRN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(OC)c(C#N)c3)CCC(=O)N2C)cc1 ZINC000747068711 1077811069 /nfs/dbraw/zinc/81/10/69/1077811069.db2.gz CADYPBQOORRNHV-UGKGYDQZSA-N 0 0 407.470 2.801 20 30 HFEDRN N#Cc1ccc(OCC(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000789830573 1077811304 /nfs/dbraw/zinc/81/13/04/1077811304.db2.gz SOYFXNPGWVYVMC-LJQANCHMSA-N 0 0 422.437 2.615 20 30 HFEDRN C#Cc1cccc(NC(=O)C(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)c1 ZINC000792360025 1077813853 /nfs/dbraw/zinc/81/38/53/1077813853.db2.gz NLZAUOWUUQZIKG-UHFFFAOYSA-N 0 0 419.462 2.833 20 30 HFEDRN CC(=O)OC(C)(C)C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000792366343 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Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H](C)c2nnnn2C2CC2)c1C#N ZINC000792471248 1077871187 /nfs/dbraw/zinc/87/11/87/1077871187.db2.gz SEOTTYZWHBQWDA-OAHLLOKOSA-N 0 0 418.505 2.636 20 30 HFEDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000792471693 1077872295 /nfs/dbraw/zinc/87/22/95/1077872295.db2.gz CDZXKQRFZUHNCG-OAHLLOKOSA-N 0 0 418.203 2.921 20 30 HFEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@H]1Cc1ccccc1Cl)c1ccn[nH]1 ZINC000789963354 1077872329 /nfs/dbraw/zinc/87/23/29/1077872329.db2.gz LPPOHKKIWIGWFS-HNNXBMFYSA-N 0 0 418.881 2.581 20 30 HFEDRN COc1ccc(N=c2scc(-c3cnn(C)n3)n2N=Cc2ccn(C)c2)cc1OC ZINC000789965784 1077874101 /nfs/dbraw/zinc/87/41/01/1077874101.db2.gz BJEWTFODIRXEOZ-UHFFFAOYSA-N 0 0 423.502 2.815 20 30 HFEDRN C#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c1 ZINC000792477960 1077875021 /nfs/dbraw/zinc/87/50/21/1077875021.db2.gz GAYJNHLHUKAOCQ-UHFFFAOYSA-N 0 0 422.890 2.863 20 30 HFEDRN CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cc(C#N)cs1 ZINC000789970494 1077876871 /nfs/dbraw/zinc/87/68/71/1077876871.db2.gz PTGAQURKMAQGPD-UHFFFAOYSA-N 0 0 402.526 2.966 20 30 HFEDRN CCc1[nH]nc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1Br ZINC000789976805 1077879767 /nfs/dbraw/zinc/87/97/67/1077879767.db2.gz AWAQHKOFMOVYBJ-UHFFFAOYSA-N 0 0 418.295 2.820 20 30 HFEDRN Cn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC(C)(C)C)cn1 ZINC000789990184 1077891123 /nfs/dbraw/zinc/89/11/23/1077891123.db2.gz JHHPWDKEURUEBD-UHFFFAOYSA-N 0 0 417.560 2.935 20 30 HFEDRN COCc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NCCSC)cc1 ZINC000789999977 1077898155 /nfs/dbraw/zinc/89/81/55/1077898155.db2.gz NUUVWOYVPLFXCA-UHFFFAOYSA-N 0 0 402.549 2.637 20 30 HFEDRN Cc1cc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)n(C)n1 ZINC000790002063 1077899319 /nfs/dbraw/zinc/89/93/19/1077899319.db2.gz VHQILSNGSOGIPE-KRWDZBQOSA-N 0 0 415.494 2.668 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C#N)C1 ZINC000789972547 1077901920 /nfs/dbraw/zinc/90/19/20/1077901920.db2.gz BAZCQPNWYRGZCS-INIZCTEOSA-N 0 0 407.430 2.798 20 30 HFEDRN CSc1nc(C)c(C#N)c(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)n1 ZINC001170208011 1077906939 /nfs/dbraw/zinc/90/69/39/1077906939.db2.gz OMGYJENZMCGUFL-KGLIPLIRSA-N 0 0 422.551 2.854 20 30 HFEDRN CC(C)(C#N)CS(=O)(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000790011902 1077912907 /nfs/dbraw/zinc/91/29/07/1077912907.db2.gz YEGSYHZPNQZGRG-UHFFFAOYSA-N 0 0 404.561 2.807 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000790018913 1077915885 /nfs/dbraw/zinc/91/58/85/1077915885.db2.gz AUGIDSASIQIWLI-WBVHZDCISA-N 0 0 407.430 2.702 20 30 HFEDRN Cn1ncc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1Br ZINC000792581288 1077916046 /nfs/dbraw/zinc/91/60/46/1077916046.db2.gz JJAASVQROYBDPI-OAHLLOKOSA-N 0 0 422.714 2.859 20 30 HFEDRN COc1ccc(CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000790030517 1077920284 /nfs/dbraw/zinc/92/02/84/1077920284.db2.gz BDDGWJRQKIXQKK-UHFFFAOYSA-N 0 0 420.513 2.532 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2c(F)cccc2Cl)N(C)C)n1 ZINC000790105932 1077938022 /nfs/dbraw/zinc/93/80/22/1077938022.db2.gz IFEVHBIYLJZLFI-IBGZPJMESA-N 0 0 406.889 2.587 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(CC)CCCN2C(=O)OC(C)(C)C)n1 ZINC000790109187 1077939971 /nfs/dbraw/zinc/93/99/71/1077939971.db2.gz PEHWXJXHXRGUCJ-JOCHJYFZSA-N 0 0 418.538 2.671 20 30 HFEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)ccc1C ZINC000790114536 1077941840 /nfs/dbraw/zinc/94/18/40/1077941840.db2.gz NLHDBFORLDQLOJ-UHFFFAOYSA-N 0 0 419.481 2.635 20 30 HFEDRN CCN(CCN(c1ccccc1OCC#N)S(C)(=O)=O)c1ccc(N)c(C)c1 ZINC001212601484 1077944143 /nfs/dbraw/zinc/94/41/43/1077944143.db2.gz BDYYSGOUYXULAD-UHFFFAOYSA-N 0 0 402.520 2.772 20 30 HFEDRN C=CCOc1ccc(C(=O)OCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000792632914 1077945891 /nfs/dbraw/zinc/94/58/91/1077945891.db2.gz GYDBSCYLOWSZAH-UHFFFAOYSA-N 0 0 419.455 2.671 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000792627716 1077947614 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CC(C)(C#N)CS(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000790029709 1077919342 /nfs/dbraw/zinc/91/93/42/1077919342.db2.gz PNYYIOFIGRTRMQ-GOSISDBHSA-N 0 0 424.519 2.788 20 30 HFEDRN CCOC(=O)N[C@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000792587085 1077922384 /nfs/dbraw/zinc/92/23/84/1077922384.db2.gz MQMZOZDCDAQLCO-ROUUACIJSA-N 0 0 406.914 2.820 20 30 HFEDRN CN(CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(=O)OC(C)(C)C ZINC000792590720 1077925252 /nfs/dbraw/zinc/92/52/52/1077925252.db2.gz ZFOLZRCRDLISLM-QGZVFWFLSA-N 0 0 406.914 2.916 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)CSc2nnc(C)n2-c2ccccc2OC)n1 ZINC000790110259 1077940239 /nfs/dbraw/zinc/94/02/39/1077940239.db2.gz PEHQOEDOZZKNDH-UHFFFAOYSA-N 0 0 424.530 2.555 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)n1 ZINC000790110803 1077940283 /nfs/dbraw/zinc/94/02/83/1077940283.db2.gz XWPVCBQDLYBRJB-UHFFFAOYSA-N 0 0 411.487 2.718 20 30 HFEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)c1 ZINC000790112908 1077941505 /nfs/dbraw/zinc/94/15/05/1077941505.db2.gz CBBJSEJIWMTNHR-UHFFFAOYSA-N 0 0 403.482 2.935 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)n1 ZINC000790118428 1077944069 /nfs/dbraw/zinc/94/40/69/1077944069.db2.gz ZNJSFUNPPGCYLL-LTGZKZEYSA-N 0 0 402.454 2.929 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)n1 ZINC000790118040 1077944255 /nfs/dbraw/zinc/94/42/55/1077944255.db2.gz NFGPEJLWGXPDOB-SIKLNZKXSA-N 0 0 421.476 2.967 20 30 HFEDRN C=CC[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C ZINC000790100195 1077948877 /nfs/dbraw/zinc/94/88/77/1077948877.db2.gz FOSOFIZPSDUUHX-IBGZPJMESA-N 0 0 409.508 2.618 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2c(C)nn(Cc3ccccc3)c2C)n1 ZINC000790103987 1077950300 /nfs/dbraw/zinc/95/03/00/1077950300.db2.gz FWFLHSGLOVKCLZ-UHFFFAOYSA-N 0 0 405.502 2.667 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)n1 ZINC000790104673 1077950383 /nfs/dbraw/zinc/95/03/83/1077950383.db2.gz JFPBNHXDRVXSRD-QFIPXVFZSA-N 0 0 412.509 2.685 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)C2(c3ccc(Br)cc3)CC2)n1 ZINC000790105541 1077950788 /nfs/dbraw/zinc/95/07/88/1077950788.db2.gz OXSATTKOMVCJSU-UHFFFAOYSA-N 0 0 416.319 2.986 20 30 HFEDRN Cn1ccnc1[C@](O)(CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000790145233 1077956256 /nfs/dbraw/zinc/95/62/56/1077956256.db2.gz DXVGXRUCFOCSRL-SWLSCSKDSA-N 0 0 413.293 2.961 20 30 HFEDRN N#Cc1ccc(CS(=O)(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1F ZINC000790146245 1077956575 /nfs/dbraw/zinc/95/65/75/1077956575.db2.gz PWPSRZWJASDTGH-UHFFFAOYSA-N 0 0 403.403 2.809 20 30 HFEDRN S=C(NCCCN1CCOCC1)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000790148410 1077957034 /nfs/dbraw/zinc/95/70/34/1077957034.db2.gz VUEUMGVUVYIBFG-UHFFFAOYSA-N 0 0 414.362 2.995 20 30 HFEDRN NC(=O)CN1CCc2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)cc2C1 ZINC000790156419 1077960731 /nfs/dbraw/zinc/96/07/31/1077960731.db2.gz CWCCODCFMSNRBA-UHFFFAOYSA-N 0 0 401.388 2.539 20 30 HFEDRN CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc(C#N)ccn2)C1 ZINC001170377997 1077962861 /nfs/dbraw/zinc/96/28/61/1077962861.db2.gz SFPONAZZTREJLJ-QKNQBKEWSA-N 0 0 414.506 2.705 20 30 HFEDRN COC(=O)C1=C(COc2cc(C#N)cc(OC)c2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000792671584 1077969791 /nfs/dbraw/zinc/96/97/91/1077969791.db2.gz FRVRTLPVMZEBPB-HXUWFJFHSA-N 0 0 407.426 2.769 20 30 HFEDRN CCOC(=O)c1ccc(NC(=S)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000792687841 1077975770 /nfs/dbraw/zinc/97/57/70/1077975770.db2.gz GOHZTQVMXLADQC-IBGZPJMESA-N 0 0 422.510 2.822 20 30 HFEDRN CC(=O)Nc1ccc(NC(=S)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000792688971 1077976024 /nfs/dbraw/zinc/97/60/24/1077976024.db2.gz RYWVHNRMTPDQIX-LJQANCHMSA-N 0 0 407.499 2.604 20 30 HFEDRN CN(CCCNC(=S)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000792689490 1077976664 /nfs/dbraw/zinc/97/66/64/1077976664.db2.gz YTGBVBLEGVFPOU-OAQYLSRUSA-N 0 0 421.570 2.650 20 30 HFEDRN Cc1cccc2c1ncn(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)c2=O ZINC000792694096 1077977159 /nfs/dbraw/zinc/97/71/59/1077977159.db2.gz IHLRIJRAXPGCAA-UHFFFAOYSA-N 0 0 424.844 2.802 20 30 HFEDRN CCn1c2ccccc2n(CC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1=O ZINC000792737538 1077980703 /nfs/dbraw/zinc/98/07/03/1077980703.db2.gz DYZQGGXDSSPOAL-UHFFFAOYSA-N 0 0 412.833 2.530 20 30 HFEDRN C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(Br)cc1 ZINC000792743680 1077982548 /nfs/dbraw/zinc/98/25/48/1077982548.db2.gz CTAFISSPKWCSBA-KGLIPLIRSA-N 0 0 408.321 2.929 20 30 HFEDRN C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(Br)c1 ZINC000792746493 1077983054 /nfs/dbraw/zinc/98/30/54/1077983054.db2.gz FBZYVIIQJAJTCD-UONOGXRCSA-N 0 0 408.321 2.929 20 30 HFEDRN C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)cc1 ZINC000792747153 1077983574 /nfs/dbraw/zinc/98/35/74/1077983574.db2.gz IAJYZSVUJGBXIT-WBVHZDCISA-N 0 0 423.498 2.857 20 30 HFEDRN C=CCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 ZINC000790284728 1077984943 /nfs/dbraw/zinc/98/49/43/1077984943.db2.gz GHTZRBPVUVHRQX-UFGLDMCJSA-N 0 0 424.530 2.709 20 30 HFEDRN C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(OC)c1 ZINC000792752167 1077985463 /nfs/dbraw/zinc/98/54/63/1077985463.db2.gz VGSWMSDGOVBXLO-DOTOQJQBSA-N 0 0 423.498 2.857 20 30 HFEDRN CC(=O)Nc1cc(OCC(=O)NCCC#N)c(Br)cc1Br ZINC000790293878 1077987943 /nfs/dbraw/zinc/98/79/43/1077987943.db2.gz QHJUEWVJFNNNON-UHFFFAOYSA-N 0 0 419.073 2.579 20 30 HFEDRN N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C3=Cc4ccccc4CC3)C2=O)cc1 ZINC000792785909 1077991103 /nfs/dbraw/zinc/99/11/03/1077991103.db2.gz VCMKBINWOXMQAW-OAQYLSRUSA-N 0 0 407.495 2.566 20 30 HFEDRN N#C[C@@H]1CN(Cc2c(F)ccc(I)c2F)CCN1C1CC1 ZINC000792823226 1078005958 /nfs/dbraw/zinc/00/59/58/1078005958.db2.gz RSVXUGDMMLPFLU-LLVKDONJSA-N 0 0 403.214 2.742 20 30 HFEDRN C=CCn1c(-c2ccccn2)nn(CN2C[C@H](C)OC3(CCOCC3)C2)c1=S ZINC000790384218 1078011205 /nfs/dbraw/zinc/01/12/05/1078011205.db2.gz DRYZNPDIMJWCHK-INIZCTEOSA-N 0 0 401.536 2.889 20 30 HFEDRN CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(OCC3CC3)cc2)NC(=S)N1 ZINC000790365711 1078015136 /nfs/dbraw/zinc/01/51/36/1078015136.db2.gz HOVCEAHDMLHKBA-KRWDZBQOSA-N 0 0 400.500 2.791 20 30 HFEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000790367878 1078015698 /nfs/dbraw/zinc/01/56/98/1078015698.db2.gz CNGVHANQQIITJV-QFIPXVFZSA-N 0 0 416.477 2.620 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCOCC(F)F)c1 ZINC000790370065 1078016365 /nfs/dbraw/zinc/01/63/65/1078016365.db2.gz ZZCONEPSQCGBCX-OQKWZONESA-N 0 0 417.478 2.890 20 30 HFEDRN CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000792884516 1078016886 /nfs/dbraw/zinc/01/68/86/1078016886.db2.gz JRLLLUMYLCLHTG-RMKNXTFCSA-N 0 0 412.414 2.532 20 30 HFEDRN N#Cc1ccccc1S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790373947 1078017672 /nfs/dbraw/zinc/01/76/72/1078017672.db2.gz YTUWCEJPERTGOW-UHFFFAOYSA-N 0 0 422.260 2.976 20 30 HFEDRN CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2cn(C(C)(C)C)nn2)NC(=O)N1CC1CC1 ZINC000790373602 1078017701 /nfs/dbraw/zinc/01/77/01/1078017701.db2.gz FSSOAJKOQAYMHU-MRXNPFEDSA-N 0 0 417.510 2.552 20 30 HFEDRN CN(C[C@@H]1C[C@H](F)CN1C[C@@H](O)COc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000792914004 1078024750 /nfs/dbraw/zinc/02/47/50/1078024750.db2.gz BWPMIJUTSOTZLI-OKZBNKHCSA-N 0 0 407.486 2.577 20 30 HFEDRN CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)ccc1OCC#N)C2 ZINC000792922243 1078026544 /nfs/dbraw/zinc/02/65/44/1078026544.db2.gz RRPJBCVLRSJXDY-UHFFFAOYSA-N 0 0 405.907 2.709 20 30 HFEDRN COC(=O)COc1ccc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000792925596 1078027175 /nfs/dbraw/zinc/02/71/75/1078027175.db2.gz SUBMVOARVNCXJD-WMZJFQQLSA-N 0 0 412.398 2.745 20 30 HFEDRN S=C1N=NC([C@H]2COc3ccccc3O2)N1N=Cc1cnnn1Cc1ccccc1 ZINC000792927748 1078027697 /nfs/dbraw/zinc/02/76/97/1078027697.db2.gz YODWQYDRJARONO-GOSISDBHSA-N 0 0 419.470 2.601 20 30 HFEDRN Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccsc2)c1=O ZINC000790434197 1078029483 /nfs/dbraw/zinc/02/94/83/1078029483.db2.gz NXHOXIBJRROGGT-UHFFFAOYSA-N 0 0 413.549 2.598 20 30 HFEDRN C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000790449281 1078035453 /nfs/dbraw/zinc/03/54/53/1078035453.db2.gz BDSZZMKZBWNRHJ-UHFFFAOYSA-N 0 0 419.400 2.512 20 30 HFEDRN CO[C@@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 ZINC000806222705 1079506519 /nfs/dbraw/zinc/50/65/19/1079506519.db2.gz OBAUWWUUQBQXIQ-BAOKRACBSA-N 0 0 410.540 2.778 20 30 HFEDRN CO[C@H](C)CN(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 ZINC000806222706 1079506548 /nfs/dbraw/zinc/50/65/48/1079506548.db2.gz OBAUWWUUQBQXIQ-GALDBLJUSA-N 0 0 410.540 2.778 20 30 HFEDRN C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000806228065 1079509389 /nfs/dbraw/zinc/50/93/89/1079509389.db2.gz UHDZYYIXOIKPDS-KFKAGJAMSA-N 0 0 400.479 2.698 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000806241269 1079518831 /nfs/dbraw/zinc/51/88/31/1079518831.db2.gz IQAVBVRSIIBCKI-UHFFFAOYSA-N 0 0 407.470 2.835 20 30 HFEDRN N#CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccn1 ZINC001130568376 1079522698 /nfs/dbraw/zinc/52/26/98/1079522698.db2.gz SILDXYIJBAPPQQ-UHFFFAOYSA-N 0 0 408.155 2.765 20 30 HFEDRN C#CCOc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)c1 ZINC000806262969 1079527765 /nfs/dbraw/zinc/52/77/65/1079527765.db2.gz XYKAPTCAQJMLED-FQEVSTJZSA-N 0 0 423.469 2.638 20 30 HFEDRN C#CCOc1ccc(NC(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000806262401 1079528264 /nfs/dbraw/zinc/52/82/64/1079528264.db2.gz GYINWSZJTROQPZ-QWHCGFSZSA-N 0 0 401.492 2.897 20 30 HFEDRN C#CCOc1ccc(NC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000806262402 1079528316 /nfs/dbraw/zinc/52/83/16/1079528316.db2.gz GYINWSZJTROQPZ-STQMWFEESA-N 0 0 401.492 2.897 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 ZINC000806270120 1079532385 /nfs/dbraw/zinc/53/23/85/1079532385.db2.gz SAAJRYDOMWEFJT-IBGZPJMESA-N 0 0 400.500 2.863 20 30 HFEDRN CCN(Cc1ccccc1NC(=O)NCCn1cnc(C#N)n1)C(=O)OC(C)(C)C ZINC000806287240 1079548980 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BAAYLVVOKYMXSP-RXVVDRJESA-N 0 0 420.531 2.706 20 30 HFEDRN C#C[C@@H](NC(=O)Nc1cccn(CC(=O)OCC)c1=O)c1ccc(Cl)cc1F ZINC000806366906 1079653475 /nfs/dbraw/zinc/65/34/75/1079653475.db2.gz GUQFYXPCSQCRHR-OAHLLOKOSA-N 0 0 405.813 2.700 20 30 HFEDRN C#CCC(CC#C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000806367421 1079655200 /nfs/dbraw/zinc/65/52/00/1079655200.db2.gz NXGHCKBDJUYXGS-UHFFFAOYSA-N 0 0 402.516 2.861 20 30 HFEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001130626249 1079676049 /nfs/dbraw/zinc/67/60/49/1079676049.db2.gz JZDKAQJBCLKIBC-GOSISDBHSA-N 0 0 408.502 2.619 20 30 HFEDRN C#CCOc1ccccc1NC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 ZINC000806438575 1079706853 /nfs/dbraw/zinc/70/68/53/1079706853.db2.gz IJBGRSOERNNAOZ-STQMWFEESA-N 0 0 401.492 2.897 20 30 HFEDRN COCC(=O)Nc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC000806456624 1079728897 /nfs/dbraw/zinc/72/88/97/1079728897.db2.gz RMEGLLWRXOZPTC-ZDUSSCGKSA-N 0 0 416.459 2.601 20 30 HFEDRN 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2.598 20 30 HFEDRN N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129725231 1078675195 /nfs/dbraw/zinc/67/51/95/1078675195.db2.gz SDUVUYILNNCOSS-BFYDXBDKSA-N 0 0 421.475 2.621 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC000804836562 1078678648 /nfs/dbraw/zinc/67/86/48/1078678648.db2.gz PWQPNKGFEYHWSB-SFHVURJKSA-N 0 0 413.543 2.721 20 30 HFEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3cnn(-c4ccccc4)n3)CC2)c(F)c1 ZINC000804628110 1078680694 /nfs/dbraw/zinc/68/06/94/1078680694.db2.gz VONCCCZMMLNGEW-UHFFFAOYSA-N 0 0 405.433 2.891 20 30 HFEDRN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001129973302 1078680814 /nfs/dbraw/zinc/68/08/14/1078680814.db2.gz GPGFHHJQTMTDDE-MRXNPFEDSA-N 0 0 410.455 2.851 20 30 HFEDRN C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1)c1ccc(Cl)cc1F ZINC000804858245 1078683443 /nfs/dbraw/zinc/68/34/43/1078683443.db2.gz PHTNDTMCZOXWIZ-SFHVURJKSA-N 0 0 423.897 2.702 20 30 HFEDRN 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AMIGDIURXDNGMH-GOSISDBHSA-N 0 0 406.461 2.708 20 30 HFEDRN C#CCOc1ccccc1OS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000804988802 1078792444 /nfs/dbraw/zinc/79/24/44/1078792444.db2.gz ISOSTLFAFZYZOB-UHFFFAOYSA-N 0 0 420.386 2.760 20 30 HFEDRN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1 ZINC001130026049 1078797091 /nfs/dbraw/zinc/79/70/91/1078797091.db2.gz YXISTGKUQFISHT-LJQANCHMSA-N 0 0 406.486 2.760 20 30 HFEDRN N#Cc1ccc(NCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)nc1 ZINC000804960818 1078799948 /nfs/dbraw/zinc/79/99/48/1078799948.db2.gz YGEGXZFFGHWIQH-GOSISDBHSA-N 0 0 414.510 2.598 20 30 HFEDRN C#C[C@@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1F ZINC000804977316 1078812737 /nfs/dbraw/zinc/81/27/37/1078812737.db2.gz PGYXUYWFPGEKFM-MJGOQNOKSA-N 0 0 411.930 2.661 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000805014089 1078825637 /nfs/dbraw/zinc/82/56/37/1078825637.db2.gz PNMWVSBKMMUHKR-CYBMUJFWSA-N 0 0 417.231 2.611 20 30 HFEDRN C#CCCCS(=O)(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000805021604 1078832542 /nfs/dbraw/zinc/83/25/42/1078832542.db2.gz PQRYZPYEEKZMOP-HXUWFJFHSA-N 0 0 405.541 2.821 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@@H](C#N)C1 ZINC000805027366 1078839799 /nfs/dbraw/zinc/83/97/99/1078839799.db2.gz LVOSCOYDPDPKQF-JTQLQIEISA-N 0 0 421.853 2.752 20 30 HFEDRN C#CCCCS(=O)(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000805010685 1078854575 /nfs/dbraw/zinc/85/45/75/1078854575.db2.gz AQUBCZUDISCAMV-ZDUSSCGKSA-N 0 0 403.344 2.788 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)Oc1ccc2c(c1)CCCNC2=O ZINC000805051016 1078863695 /nfs/dbraw/zinc/86/36/95/1078863695.db2.gz FVSGZIMCNVVLLA-UHFFFAOYSA-N 0 0 421.272 2.764 20 30 HFEDRN C#CCCCS(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000805059371 1078872508 /nfs/dbraw/zinc/87/25/08/1078872508.db2.gz QQQQTHDRMWMERG-HXUWFJFHSA-N 0 0 417.531 2.614 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000805055503 1078868658 /nfs/dbraw/zinc/86/86/58/1078868658.db2.gz WXNOMTSDBNYWCK-GFCCVEGCSA-N 0 0 415.309 2.675 20 30 HFEDRN C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000805119504 1078903157 /nfs/dbraw/zinc/90/31/57/1078903157.db2.gz MYFYEYNSKRTFAZ-MRXNPFEDSA-N 0 0 411.424 2.831 20 30 HFEDRN Cn1ncnc1-c1cccc(OS(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000805078630 1078909347 /nfs/dbraw/zinc/90/93/47/1078909347.db2.gz DNGLTQCDZYHJET-UHFFFAOYSA-N 0 0 419.260 2.884 20 30 HFEDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1Br ZINC000805092395 1078919424 /nfs/dbraw/zinc/91/94/24/1078919424.db2.gz DSSUMPOOSIMRFZ-UHFFFAOYSA-N 0 0 421.320 2.535 20 30 HFEDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(S(=O)(=O)c1cccc(C#N)c1)C2 ZINC000805129635 1078928829 /nfs/dbraw/zinc/92/88/29/1078928829.db2.gz RGYQAFMLZMQVSK-FQEVSTJZSA-N 0 0 405.520 2.970 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000805134207 1078931893 /nfs/dbraw/zinc/93/18/93/1078931893.db2.gz UCQYKDQHWDZJOX-IRLDBZIGSA-N 0 0 405.546 2.526 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)[C@H]1CCCO1 ZINC000805246162 1078981997 /nfs/dbraw/zinc/98/19/97/1078981997.db2.gz PQOWFRDMQYVZRG-JCGIZDLHSA-N 0 0 411.527 2.901 20 30 HFEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC001130117487 1078987824 /nfs/dbraw/zinc/98/78/24/1078987824.db2.gz NGZZIIZDOKRGFA-UWVAXJGDSA-N 0 0 406.548 2.879 20 30 HFEDRN C=CCn1cc(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)nn1 ZINC001130122485 1078992229 /nfs/dbraw/zinc/99/22/29/1078992229.db2.gz OWANFJAYMSFKEZ-OAQYLSRUSA-N 0 0 403.486 2.950 20 30 HFEDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000805300993 1078995174 /nfs/dbraw/zinc/99/51/74/1078995174.db2.gz HOBOMLPZNFSVOI-SFHVURJKSA-N 0 0 414.506 2.584 20 30 HFEDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805291069 1079013485 /nfs/dbraw/zinc/01/34/85/1079013485.db2.gz RUTCHVVVUDXJJZ-ROUUACIJSA-N 0 0 416.497 2.993 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000805396355 1079038301 /nfs/dbraw/zinc/03/83/01/1079038301.db2.gz DPRHKMNQRCDSFU-UHFFFAOYSA-N 0 0 403.456 2.985 20 30 HFEDRN Cn1c2ccccc2n(CC(=O)OCc2ccc(Br)cc2C#N)c1=O ZINC000805359262 1079045366 /nfs/dbraw/zinc/04/53/66/1079045366.db2.gz ZKRULMVIXZQXPQ-UHFFFAOYSA-N 0 0 400.232 2.718 20 30 HFEDRN CN(C)S(=O)(=O)c1cc(C(=O)OCCCSCC#N)ccc1Br ZINC000805362428 1079047720 /nfs/dbraw/zinc/04/77/20/1079047720.db2.gz WNCMVWORAVWNIQ-UHFFFAOYSA-N 0 0 421.338 2.503 20 30 HFEDRN COc1ccccc1C(=O)NCC(=O)OCc1ccc(Br)cc1C#N ZINC000805364340 1079047740 /nfs/dbraw/zinc/04/77/40/1079047740.db2.gz PQMIDGDEFXJDJU-UHFFFAOYSA-N 0 0 403.232 2.803 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000805424728 1079057563 /nfs/dbraw/zinc/05/75/63/1079057563.db2.gz ASFNUPYILGDYNG-KRWDZBQOSA-N 0 0 414.483 2.784 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000805462209 1079084371 /nfs/dbraw/zinc/08/43/71/1079084371.db2.gz CARSPDBKNWRFGU-GOSISDBHSA-N 0 0 417.506 2.957 20 30 HFEDRN C[C@H](CC(=O)OCCc1ccccc1Cl)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000805480408 1079093387 /nfs/dbraw/zinc/09/33/87/1079093387.db2.gz RDCKMUUQZCRPJD-CYBMUJFWSA-N 0 0 406.891 2.943 20 30 HFEDRN CC(C)(C)OC(=O)NCCCn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)nn1 ZINC001130222427 1079104931 /nfs/dbraw/zinc/10/49/31/1079104931.db2.gz CLGCMNQBDKMBQA-UHFFFAOYSA-N 0 0 424.505 2.874 20 30 HFEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805501433 1079106740 /nfs/dbraw/zinc/10/67/40/1079106740.db2.gz OMAKRSUCBLXDRH-UHFFFAOYSA-N 0 0 403.456 2.741 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)Cc1cc[nH]c(=O)c1Br ZINC000805540587 1079130585 /nfs/dbraw/zinc/13/05/85/1079130585.db2.gz FMIRXDKITFNIOJ-UHFFFAOYSA-N 0 0 407.220 2.595 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000805551579 1079137902 /nfs/dbraw/zinc/13/79/02/1079137902.db2.gz MWDRMIZYVCAYCQ-UHFFFAOYSA-N 0 0 422.363 2.911 20 30 HFEDRN C[C@@](O)(C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC000805575608 1079159258 /nfs/dbraw/zinc/15/92/58/1079159258.db2.gz CIYFLYSFRSYIAT-QHCPKHFHSA-N 0 0 407.470 2.870 20 30 HFEDRN COC(=O)c1cccc(C(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000805587196 1079163478 /nfs/dbraw/zinc/16/34/78/1079163478.db2.gz FXPPGCGTPDFWHE-QGZVFWFLSA-N 0 0 410.401 2.736 20 30 HFEDRN N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O ZINC000805588856 1079164770 /nfs/dbraw/zinc/16/47/70/1079164770.db2.gz VMOYWKDBPXYVTB-QAPCUYQASA-N 0 0 424.457 2.806 20 30 HFEDRN COC(=O)c1cccc(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1C#N ZINC000805590388 1079165677 /nfs/dbraw/zinc/16/56/77/1079165677.db2.gz DAGQHYXZEFFLOA-HNNXBMFYSA-N 0 0 407.401 2.925 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)C2)c(F)c1 ZINC000805591025 1079167097 /nfs/dbraw/zinc/16/70/97/1079167097.db2.gz LCMSEQBPAKUIJS-CYBMUJFWSA-N 0 0 403.360 2.984 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)C2)c(F)c1 ZINC000805591026 1079167130 /nfs/dbraw/zinc/16/71/30/1079167130.db2.gz LCMSEQBPAKUIJS-ZDUSSCGKSA-N 0 0 403.360 2.984 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)NCCc3ccc(F)cc3)C2)c(F)c1 ZINC000805591686 1079168447 /nfs/dbraw/zinc/16/84/47/1079168447.db2.gz XXRURAMNYBGEKC-KRWDZBQOSA-N 0 0 413.424 2.565 20 30 HFEDRN CCOCCNC(=O)COC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805596502 1079170298 /nfs/dbraw/zinc/17/02/98/1079170298.db2.gz NNECOWTZNJSKCT-UHFFFAOYSA-N 0 0 407.898 2.514 20 30 HFEDRN C#CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 ZINC001130302510 1079194723 /nfs/dbraw/zinc/19/47/23/1079194723.db2.gz BVUYWBBFQQCBJU-IBGZPJMESA-N 0 0 402.560 2.632 20 30 HFEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)COC(=O)C(=O)c2cccn2C)c1C#N ZINC000805648736 1079202600 /nfs/dbraw/zinc/20/26/00/1079202600.db2.gz LNQZSUFBYPIHBA-UHFFFAOYSA-N 0 0 422.416 2.808 20 30 HFEDRN CCn1c(COC(=O)CCCCCC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000805697037 1079222270 /nfs/dbraw/zinc/22/22/70/1079222270.db2.gz RFJDPAMXNVVWKZ-UHFFFAOYSA-N 0 0 406.508 2.824 20 30 HFEDRN Cc1cc(N(CCC#N)C(=O)COC(=O)CO[C@H](C)c2nccn2C)ccc1Cl ZINC000805691486 1079219965 /nfs/dbraw/zinc/21/99/65/1079219965.db2.gz YUIXRQBZLHIHGG-OAHLLOKOSA-N 0 0 418.881 2.950 20 30 HFEDRN CNC(=O)[C@H](CNC(=O)CSc1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 ZINC001130336894 1079223951 /nfs/dbraw/zinc/22/39/51/1079223951.db2.gz ZRYHOHQCQVCIGJ-INIZCTEOSA-N 0 0 415.490 2.519 20 30 HFEDRN CNC(=O)[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC001130339217 1079225883 /nfs/dbraw/zinc/22/58/83/1079225883.db2.gz DJHPLVQQSJMCRP-DENIHFKCSA-N 0 0 422.504 2.696 20 30 HFEDRN C#CCNC(=O)[C@@H](C)OC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000805721855 1079235707 /nfs/dbraw/zinc/23/57/07/1079235707.db2.gz DQOACBWWHFTKRS-WBVHZDCISA-N 0 0 402.491 2.960 20 30 HFEDRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc(CC#N)cc3)CC2)c1 ZINC001130371932 1079246620 /nfs/dbraw/zinc/24/66/20/1079246620.db2.gz ILPFBRRHJAWSAQ-UHFFFAOYSA-N 0 0 421.497 2.938 20 30 HFEDRN C#C[C@H](NC(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)c1ccc(Cl)cc1F ZINC000805777181 1079249208 /nfs/dbraw/zinc/24/92/08/1079249208.db2.gz AKOKOWTUKNYJMK-QAPCUYQASA-N 0 0 406.889 2.941 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000805780379 1079250276 /nfs/dbraw/zinc/25/02/76/1079250276.db2.gz KVEHPNPHFHAMEL-VXKWHMMOSA-N 0 0 418.541 2.822 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000805783530 1079250989 /nfs/dbraw/zinc/25/09/89/1079250989.db2.gz YWOUXNKULPPEBB-MOPGFXCFSA-N 0 0 401.507 2.556 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000805783183 1079251403 /nfs/dbraw/zinc/25/14/03/1079251403.db2.gz UEGHJNJABNETKK-FQEVSTJZSA-N 0 0 401.470 2.745 20 30 HFEDRN C[C@@H](C(=O)N(CC#N)c1ccc(Cl)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001130397437 1079279023 /nfs/dbraw/zinc/27/90/23/1079279023.db2.gz QWDSUTNGZHOZCR-AWEZNQCLSA-N 0 0 420.897 2.664 20 30 HFEDRN CC(C)C[C@H](C(=O)N1CCCc2nc(C#N)ccc21)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001130383067 1079281295 /nfs/dbraw/zinc/28/12/95/1079281295.db2.gz UTXJMCXQUJHQFU-FUHIMQAGSA-N 0 0 406.486 2.598 20 30 HFEDRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCCc3nc(C#N)ccc32)ccc1F ZINC001130382871 1079281378 /nfs/dbraw/zinc/28/13/78/1079281378.db2.gz MDORYKBQKSLFJS-UHFFFAOYSA-N 0 0 416.478 2.762 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccncc1 ZINC000805807634 1079282786 /nfs/dbraw/zinc/28/27/86/1079282786.db2.gz LLDRCUUGJPAPHE-JOCHJYFZSA-N 0 0 421.545 2.666 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806958 1079283228 /nfs/dbraw/zinc/28/32/28/1079283228.db2.gz XLNNNYYYKGDXOZ-FGZHOGPDSA-N 0 0 406.530 2.938 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000805808068 1079284295 /nfs/dbraw/zinc/28/42/95/1079284295.db2.gz BRNWASUDPIDZMA-JTSKRJEESA-N 0 0 416.522 2.578 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccncc1 ZINC000805813110 1079287435 /nfs/dbraw/zinc/28/74/35/1079287435.db2.gz DNGJWYSMWUVVJQ-RTBURBONSA-N 0 0 401.413 2.693 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccncc1 ZINC000805814100 1079288184 /nfs/dbraw/zinc/28/81/84/1079288184.db2.gz LVKSVRAGPAJCPV-JZXOWHBKSA-N 0 0 416.522 2.671 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000805815185 1079289085 /nfs/dbraw/zinc/28/90/85/1079289085.db2.gz ZQLXUYGVNNVATD-JOCHJYFZSA-N 0 0 422.529 2.558 20 30 HFEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)n2ccc3ccccc3c2=O)cc1OC ZINC000805855048 1079304232 /nfs/dbraw/zinc/30/42/32/1079304232.db2.gz BVXWAEKRFREOAF-KDOFPFPSSA-N 0 0 419.437 2.927 20 30 HFEDRN C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000805920919 1079334213 /nfs/dbraw/zinc/33/42/13/1079334213.db2.gz ZLYQCGBFRCZGSQ-QGZVFWFLSA-N 0 0 419.547 2.693 20 30 HFEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCCn2cc(C(N)=O)nn2)c1 ZINC000805940678 1079343195 /nfs/dbraw/zinc/34/31/95/1079343195.db2.gz YAGZGLMXEPRRBK-UHFFFAOYSA-N 0 0 411.805 2.551 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@@H](OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1=O ZINC000805947847 1079347495 /nfs/dbraw/zinc/34/74/95/1079347495.db2.gz TYSMNKDZTYRPRO-GJZGRUSLSA-N 0 0 417.437 2.603 20 30 HFEDRN C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)NCCc1ccncc1 ZINC000805982634 1079364057 /nfs/dbraw/zinc/36/40/57/1079364057.db2.gz XAOKMKBQLMGCKC-KRWDZBQOSA-N 0 0 417.469 2.763 20 30 HFEDRN C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)NCc1ccccn1 ZINC000805958669 1079374973 /nfs/dbraw/zinc/37/49/73/1079374973.db2.gz UJAFDVGMWYRHSI-INIZCTEOSA-N 0 0 403.442 2.720 20 30 HFEDRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000806009922 1079399506 /nfs/dbraw/zinc/39/95/06/1079399506.db2.gz FUPZAVONNKTTSE-GOSISDBHSA-N 0 0 416.522 2.572 20 30 HFEDRN COc1ccc(CNC(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C#N ZINC000747304676 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20 30 HFEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789806012 1077806747 /nfs/dbraw/zinc/80/67/47/1077806747.db2.gz AJUQJLJYUUSQPH-OAHLLOKOSA-N 0 0 406.442 2.981 20 30 HFEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792373786 1077820364 /nfs/dbraw/zinc/82/03/64/1077820364.db2.gz DLXVEQVGPXOBTM-KBPBESRZSA-N 0 0 420.535 2.906 20 30 HFEDRN CC[C@@H](C)[C@@H](C(=O)NCc1ccc(OC)c(C#N)c1)N1C(=O)c2ccccc2C1=O ZINC000747071769 1077831976 /nfs/dbraw/zinc/83/19/76/1077831976.db2.gz TYMPWHLRCVGXAK-VLIAUNLRSA-N 0 0 405.454 2.894 20 30 HFEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000792397574 1077834167 /nfs/dbraw/zinc/83/41/67/1077834167.db2.gz MHBHDUQXYOMZKZ-UHFFFAOYSA-N 0 0 403.479 2.584 20 30 HFEDRN C=CCN(CCOC)C(=O)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000792401912 1077836113 /nfs/dbraw/zinc/83/61/13/1077836113.db2.gz VDTUQNSOUHLLOV-UHFFFAOYSA-N 0 0 417.506 2.579 20 30 HFEDRN 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1077939602 /nfs/dbraw/zinc/93/96/02/1077939602.db2.gz VJIRIKJAGKFFTK-UHFFFAOYSA-N 0 0 405.502 2.916 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2Nc2ccccc2OC)n1 ZINC000790109305 1077939648 /nfs/dbraw/zinc/93/96/48/1077939648.db2.gz VGMKRKXLHAFOSZ-UHFFFAOYSA-N 0 0 419.485 2.952 20 30 HFEDRN C=CC[C@@H]1N(C(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)CCCC1(C)C ZINC000790109063 1077939955 /nfs/dbraw/zinc/93/99/55/1077939955.db2.gz ZPAMYUNKCYJGDZ-IBGZPJMESA-N 0 0 404.507 2.922 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)n1 ZINC000790110167 1077940664 /nfs/dbraw/zinc/94/06/64/1077940664.db2.gz MANSYJVQEWTQRP-CJLVFECKSA-N 0 0 413.481 2.731 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 ZINC000790117854 1077943767 /nfs/dbraw/zinc/94/37/67/1077943767.db2.gz GRCJLLGDHSTIMP-WBVHZDCISA-N 0 0 404.511 2.625 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000790119175 1077944463 /nfs/dbraw/zinc/94/44/63/1077944463.db2.gz PEOUXWAMROAWMR-UHFFFAOYSA-N 0 0 400.482 2.962 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000792627075 1077946552 /nfs/dbraw/zinc/94/65/52/1077946552.db2.gz INTWQOAWEDMWRD-PKOBYXMFSA-N 0 0 400.475 2.803 20 30 HFEDRN COc1cc(C#N)ccc1OC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O ZINC000790096094 1077947376 /nfs/dbraw/zinc/94/73/76/1077947376.db2.gz YUFSYKKARNGYML-UHFFFAOYSA-N 0 0 423.425 2.680 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)[C@@H]2CCCc3cccnc32)c1 ZINC000772748286 1077948275 /nfs/dbraw/zinc/94/82/75/1077948275.db2.gz BINANGSHVIUORI-HXUWFJFHSA-N 0 0 411.527 2.923 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])ccc2SCC)n1 ZINC000790104688 1077950313 /nfs/dbraw/zinc/95/03/13/1077950313.db2.gz KEJDXDGSLMUEBM-UHFFFAOYSA-N 0 0 402.476 2.825 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cnn(-c3ccc(C)cc3)c2CC)n1 ZINC000790105718 1077950561 /nfs/dbraw/zinc/95/05/61/1077950561.db2.gz WUEIQCWMEOTPIE-UHFFFAOYSA-N 0 0 405.502 2.862 20 30 HFEDRN CCOC(=O)[C@@H](C#N)Nc1c2c(OC(C)=O)cn(C(C)=O)c2ccc1Br ZINC001170369175 1077951599 /nfs/dbraw/zinc/95/15/99/1077951599.db2.gz MHELKJXKHLRIAS-GFCCVEGCSA-N 0 0 422.235 2.856 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCSC(C)(C)CC1 ZINC000790144404 1077956088 /nfs/dbraw/zinc/95/60/88/1077956088.db2.gz QNWJDXYAXTXWDQ-INIZCTEOSA-N 0 0 423.604 2.884 20 30 HFEDRN Cn1ccnc1[C@](O)(CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000790145232 1077956303 /nfs/dbraw/zinc/95/63/03/1077956303.db2.gz DXVGXRUCFOCSRL-IUODEOHRSA-N 0 0 413.293 2.961 20 30 HFEDRN CC(C)N(C)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)NC3CCCC3)cn2)cn1 ZINC000790157663 1077961226 /nfs/dbraw/zinc/96/12/26/1077961226.db2.gz JNLHGYLTBJYVLT-UHFFFAOYSA-N 0 0 416.551 2.988 20 30 HFEDRN C#CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000790190487 1077967118 /nfs/dbraw/zinc/96/71/18/1077967118.db2.gz KEQZANIKSMFYOX-UHFFFAOYSA-N 0 0 423.874 2.626 20 30 HFEDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cc(Cl)ccc3C#N)cc2CC1 ZINC000790236728 1077973701 /nfs/dbraw/zinc/97/37/01/1077973701.db2.gz RQVJEQQFYQBGJX-UHFFFAOYSA-N 0 0 404.875 2.926 20 30 HFEDRN N#Cc1ccc(CN2CC[C@@H](NC(=S)N[C@H]3CCOc4ccccc43)C2=O)cc1 ZINC000792689537 1077976602 /nfs/dbraw/zinc/97/66/02/1077976602.db2.gz ZZGPZVUUHMWHEW-RBUKOAKNSA-N 0 0 406.511 2.647 20 30 HFEDRN C=CC[C@]1(C(=O)NC[C@@H](C(C)C)N2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000790249054 1077976967 /nfs/dbraw/zinc/97/69/67/1077976967.db2.gz AOFCAIQNJNIKPK-PGRDOPGGSA-N 0 0 409.571 2.805 20 30 HFEDRN C=CC[C@@]1(C(=O)NC2CCN(C(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790252881 1077977378 /nfs/dbraw/zinc/97/73/78/1077977378.db2.gz DAPCYVMOUPPVMB-QFIPXVFZSA-N 0 0 405.539 2.849 20 30 HFEDRN C[C@@H]1CSCCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000792739126 1077981397 /nfs/dbraw/zinc/98/13/97/1077981397.db2.gz OKFSVTMBVPHONH-SHUBJWRZSA-N 0 0 410.565 2.716 20 30 HFEDRN C[C@H]1CSCCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000792739125 1077981437 /nfs/dbraw/zinc/98/14/37/1077981437.db2.gz OKFSVTMBVPHONH-LVHCJKAXSA-N 0 0 410.565 2.716 20 30 HFEDRN C[C@H]1COC(C)(C)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000792738942 1077981445 /nfs/dbraw/zinc/98/14/45/1077981445.db2.gz JRCITDCHKAJSBQ-HGNXGAGXSA-N 0 0 408.524 2.531 20 30 HFEDRN C=CCN1CC[C@H](OC(=O)c2cc(F)c(F)cc2I)C1=O ZINC000798635053 1077983089 /nfs/dbraw/zinc/98/30/89/1077983089.db2.gz BVXFMZQETUYHLL-LBPRGKRZSA-N 0 0 407.154 2.513 20 30 HFEDRN C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N ZINC000792745802 1077983257 /nfs/dbraw/zinc/98/32/57/1077983257.db2.gz HFKZGOHICSPDQP-NVXWUHKLSA-N 0 0 418.482 2.720 20 30 HFEDRN N#Cc1ccc(N2CCC(NC(=O)N3CCC(Oc4ccc(F)nc4)CC3)CC2)nc1 ZINC000790282757 1077984444 /nfs/dbraw/zinc/98/44/44/1077984444.db2.gz FUIBDINJXDYDDJ-UHFFFAOYSA-N 0 0 424.480 2.709 20 30 HFEDRN C=CCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cnn(CC)c1 ZINC000790285482 1077985498 /nfs/dbraw/zinc/98/54/98/1077985498.db2.gz RASIHAMOZZSVMT-HNNXBMFYSA-N 0 0 413.507 2.620 20 30 HFEDRN Cc1c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc2n1C ZINC000790273258 1077993462 /nfs/dbraw/zinc/99/34/62/1077993462.db2.gz DCWJJEJIYIZDRP-GOEBONIOSA-N 0 0 418.519 2.524 20 30 HFEDRN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC000790312769 1077994480 /nfs/dbraw/zinc/99/44/80/1077994480.db2.gz RDVWQWMXJFJEMT-UHFFFAOYSA-N 0 0 408.863 2.884 20 30 HFEDRN CCN(CCC#N)C(=O)COC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000792798239 1077994610 /nfs/dbraw/zinc/99/46/10/1077994610.db2.gz DKIHJKGDPUGOTD-UHFFFAOYSA-N 0 0 407.898 2.921 20 30 HFEDRN C=CCn1c(SCCS(=O)(=O)c2ccc(F)cc2)nnc1-c1cnccn1 ZINC000790312748 1077994668 /nfs/dbraw/zinc/99/46/68/1077994668.db2.gz SOXGLSDRLHMURB-UHFFFAOYSA-N 0 0 405.480 2.626 20 30 HFEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc(OC)cs1 ZINC000747086258 1077996278 /nfs/dbraw/zinc/99/62/78/1077996278.db2.gz JAFSEMCVPKASNI-UHFFFAOYSA-N 0 0 405.476 2.879 20 30 HFEDRN C[C@@]1(c2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)cc2)NC(=O)NC1=O ZINC000790322114 1077996559 /nfs/dbraw/zinc/99/65/59/1077996559.db2.gz RMXXJOSWQUUEOX-IBGZPJMESA-N 0 0 401.344 2.750 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000780669934 1077998838 /nfs/dbraw/zinc/99/88/38/1077998838.db2.gz IJYRGERGPXNTPK-QGZVFWFLSA-N 0 0 421.501 2.687 20 30 HFEDRN C=CC[C@]1(C(=O)NC2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790307714 1077999978 /nfs/dbraw/zinc/99/99/78/1077999978.db2.gz VFNHYPIZXDPNDL-JOCHJYFZSA-N 0 0 415.538 2.907 20 30 HFEDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cc(C#N)cc(OC)c2)c1OC ZINC000790309759 1078000102 /nfs/dbraw/zinc/00/01/02/1078000102.db2.gz ANQSWIGRELQQMV-UHFFFAOYSA-N 0 0 411.819 2.783 20 30 HFEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N2CCC2)c1 ZINC000746899124 1078001092 /nfs/dbraw/zinc/00/10/92/1078001092.db2.gz HUQAWKYZDSVDNY-UHFFFAOYSA-N 0 0 409.467 2.678 20 30 HFEDRN COC(=O)C1=C(C(C)=O)[C@@H](c2cc(Br)c(Cl)s2)NC(=S)N1 ZINC000790365092 1078005322 /nfs/dbraw/zinc/00/53/22/1078005322.db2.gz GSPGPXSWIMYNMW-MRVPVSSYSA-N 0 0 409.714 2.699 20 30 HFEDRN CCOC(=O)c1cc2ccccc2cc1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000790343062 1078007581 /nfs/dbraw/zinc/00/75/81/1078007581.db2.gz VRUAYONBAXTILS-MRCUWXFGSA-N 0 0 407.426 2.872 20 30 HFEDRN C[C@@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N(C)CC(F)(F)F ZINC000792830869 1078007755 /nfs/dbraw/zinc/00/77/55/1078007755.db2.gz CZKSXTXSRGZVOY-QMMMGPOBSA-N 0 0 419.316 2.913 20 30 HFEDRN COc1ncc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1Cl ZINC000792856050 1078009392 /nfs/dbraw/zinc/00/93/92/1078009392.db2.gz BISMJPUASIQSCP-UHFFFAOYSA-N 0 0 411.805 2.596 20 30 HFEDRN CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2c(C)n(C)nc2C(=O)OC)cc1 ZINC000792865282 1078011331 /nfs/dbraw/zinc/01/13/31/1078011331.db2.gz CPSINXSQQNDGCZ-SEYXRHQNSA-N 0 0 413.474 2.658 20 30 HFEDRN Cc1c(NC(=S)NN=CCc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000792889833 1078017735 /nfs/dbraw/zinc/01/77/35/1078017735.db2.gz KCJQHPRSHDWSOH-UHFFFAOYSA-N 0 0 424.486 2.908 20 30 HFEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC000792891655 1078017962 /nfs/dbraw/zinc/01/79/62/1078017962.db2.gz HKACMKPPNGVCSC-KRWDZBQOSA-N 0 0 415.247 2.814 20 30 HFEDRN C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1=S ZINC000790403204 1078018964 /nfs/dbraw/zinc/01/89/64/1078018964.db2.gz MYWASMLMYBHZQT-TWOQFEAHSA-N 0 0 401.536 2.888 20 30 HFEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000790405495 1078019371 /nfs/dbraw/zinc/01/93/71/1078019371.db2.gz YFJRKIDPCMEKQW-PMACEKPBSA-N 0 0 402.516 2.639 20 30 HFEDRN Cn1c(=O)c2ccccc2[nH]c1=NNC=C1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000792940002 1078022221 /nfs/dbraw/zinc/02/22/21/1078022221.db2.gz AIJVHJPQPWIHBH-GFCCVEGCSA-N 0 0 407.421 2.976 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1Cc1cccs1 ZINC000790424925 1078023190 /nfs/dbraw/zinc/02/31/90/1078023190.db2.gz MWKBZDAVPPXTJC-UHFFFAOYSA-N 0 0 419.531 2.835 20 30 HFEDRN N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccsc1 ZINC000790428173 1078024174 /nfs/dbraw/zinc/02/41/74/1078024174.db2.gz RCRWXXHTHYRJFH-UHFFFAOYSA-N 0 0 413.549 2.679 20 30 HFEDRN COc1ccc(NC(=S)NN=C2CCCc3c2cnn3-c2ncccn2)cc1OC ZINC000792924621 1078027038 /nfs/dbraw/zinc/02/70/38/1078027038.db2.gz NNJWMNPCCBKRIZ-UHFFFAOYSA-N 0 0 423.502 2.707 20 30 HFEDRN COc1ccccc1-c1ncc(C=NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 ZINC000792925631 1078027224 /nfs/dbraw/zinc/02/72/24/1078027224.db2.gz CDXFWVNOEFQVKX-JOCHJYFZSA-N 0 0 401.426 2.953 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1-c1ccsc1 ZINC000790433589 1078029609 /nfs/dbraw/zinc/02/96/09/1078029609.db2.gz LFPBQRMXZGFJQO-UHFFFAOYSA-N 0 0 405.504 2.776 20 30 HFEDRN COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(-c4ccsc4)c3=O)sc2c1 ZINC000790435081 1078029619 /nfs/dbraw/zinc/02/96/19/1078029619.db2.gz XXZQRNIWHIZPAE-UHFFFAOYSA-N 0 0 422.516 2.605 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1-c1ccsc1 ZINC000790438803 1078031201 /nfs/dbraw/zinc/03/12/01/1078031201.db2.gz MHPJBZAIVHHABU-UHFFFAOYSA-N 0 0 419.409 2.886 20 30 HFEDRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1C#N ZINC000790450353 1078035607 /nfs/dbraw/zinc/03/56/07/1078035607.db2.gz KQLXSSVYMMFXIZ-AUUYWEPGSA-N 0 0 408.524 2.705 20 30 HFEDRN O=c1c2cc(Br)ccc2ncn1N=Cc1cnnn1Cc1ccccc1 ZINC000792957756 1078035709 /nfs/dbraw/zinc/03/57/09/1078035709.db2.gz FRUPEASJJBYXAX-UHFFFAOYSA-N 0 0 409.247 2.681 20 30 HFEDRN C=CCn1c(-c2cccc(OC)c2)nn(CN2CC[C@H](N3CCCC3=O)C2)c1=S ZINC000790457208 1078037028 /nfs/dbraw/zinc/03/70/28/1078037028.db2.gz CDPBBLRNMSTQLW-KRWDZBQOSA-N 0 0 413.547 2.930 20 30 HFEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000747097406 1078042939 /nfs/dbraw/zinc/04/29/39/1078042939.db2.gz PRAMIJLCWQNXIW-UHFFFAOYSA-N 0 0 407.465 2.645 20 30 HFEDRN CO[C@H](C)CN(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000806225995 1079508181 /nfs/dbraw/zinc/50/81/81/1079508181.db2.gz ZFMCCOPAYXALBL-GALDBLJUSA-N 0 0 410.540 2.778 20 30 HFEDRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC[C@H]1O ZINC000806225300 1079508485 /nfs/dbraw/zinc/50/84/85/1079508485.db2.gz KAODWSNWIOFFCE-HFWPHTGFSA-N 0 0 422.551 2.514 20 30 HFEDRN C=C(CNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)c1ccccc1 ZINC000806257879 1079525433 /nfs/dbraw/zinc/52/54/33/1079525433.db2.gz VIYHGLZXANAFGP-UHFFFAOYSA-N 0 0 408.502 2.817 20 30 HFEDRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCCc3c(C#N)cccc32)CCCC1 ZINC001130571368 1079527853 /nfs/dbraw/zinc/52/78/53/1079527853.db2.gz GVVSKLHUJWIERI-UHFFFAOYSA-N 0 0 405.502 2.931 20 30 HFEDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000747314907 1079531912 /nfs/dbraw/zinc/53/19/12/1079531912.db2.gz YWCLOLVQECATPE-CQSZACIVSA-N 0 0 424.457 2.570 20 30 HFEDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)s1 ZINC000806350008 1079622447 /nfs/dbraw/zinc/62/24/47/1079622447.db2.gz XJGLPZGUOZKBIG-MNOVXSKESA-N 0 0 420.470 2.927 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000806351392 1079624510 /nfs/dbraw/zinc/62/45/10/1079624510.db2.gz MXYGYQOHNAQOQC-UHFFFAOYSA-N 0 0 413.543 2.859 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)cc1C#N ZINC000806363994 1079650689 /nfs/dbraw/zinc/65/06/89/1079650689.db2.gz NLHGKMXASLJQMP-WFASDCNBSA-N 0 0 408.480 2.556 20 30 HFEDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000806423129 1079665345 /nfs/dbraw/zinc/66/53/45/1079665345.db2.gz CHLVMMVITCARKI-WDEREUQCSA-N 0 0 416.404 2.628 20 30 HFEDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000806431276 1079676772 /nfs/dbraw/zinc/67/67/72/1079676772.db2.gz RECROUMGPDCCBP-MRXNPFEDSA-N 0 0 400.357 2.723 20 30 HFEDRN CC(C)NC(=O)OC1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000806403217 1079690805 /nfs/dbraw/zinc/69/08/05/1079690805.db2.gz AQXCZWIPJBQMEP-UHFFFAOYSA-N 0 0 402.842 2.748 20 30 HFEDRN C#C[C@H](CC)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 ZINC000806402795 1079691515 /nfs/dbraw/zinc/69/15/15/1079691515.db2.gz LIAQTHBLBSDHQN-GFCCVEGCSA-N 0 0 407.492 2.973 20 30 HFEDRN CN(C(=O)NCCNc1ccc(C#N)cn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000806411996 1079699320 /nfs/dbraw/zinc/69/93/20/1079699320.db2.gz IBWUTGCPZLVWMS-WMZOPIPTSA-N 0 0 420.300 2.972 20 30 HFEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000806457383 1079726724 /nfs/dbraw/zinc/72/67/24/1079726724.db2.gz LEOYBTOROLMVDI-ZDUSSCGKSA-N 0 0 419.890 2.761 20 30 HFEDRN Cc1nccn1-c1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000806456885 1079727926 /nfs/dbraw/zinc/72/79/26/1079727926.db2.gz YTWSIQURCLIKKV-CQSZACIVSA-N 0 0 424.486 2.583 20 30 HFEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)cc1 ZINC000806458306 1079728939 /nfs/dbraw/zinc/72/89/39/1079728939.db2.gz HYHWMJWRUYUKFG-OAHLLOKOSA-N 0 0 424.486 2.617 20 30 HFEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000806459040 1079731590 /nfs/dbraw/zinc/73/15/90/1079731590.db2.gz SKVNGSGTTGTCEZ-AWEZNQCLSA-N 0 0 401.488 2.921 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000806502602 1079754295 /nfs/dbraw/zinc/75/42/95/1079754295.db2.gz HJUKDUBWNHHNDC-GOSISDBHSA-N 0 0 412.515 2.622 20 30 HFEDRN N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)nc1 ZINC000806532631 1079805659 /nfs/dbraw/zinc/80/56/59/1079805659.db2.gz VGXKBOAIGOQTME-UHFFFAOYSA-N 0 0 403.414 2.979 20 30 HFEDRN N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000747336154 1079810648 /nfs/dbraw/zinc/81/06/48/1079810648.db2.gz NWWKYFJEBXBMKE-KRWDZBQOSA-N 0 0 406.461 2.835 20 30 HFEDRN CCOC(=O)N1C/C(=C\c2cn(C(C)C)nn2)C(=O)/C(=C\c2cn(C(C)C)nn2)C1 ZINC000806569437 1079828397 /nfs/dbraw/zinc/82/83/97/1079828397.db2.gz BETJHDPPBNSTAQ-BSHIDLADSA-N 0 0 413.482 2.540 20 30 HFEDRN N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000747336839 1079830987 /nfs/dbraw/zinc/83/09/87/1079830987.db2.gz WMSJABUJNABTLZ-LJQANCHMSA-N 0 0 409.534 2.571 20 30 HFEDRN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001130676250 1079832656 /nfs/dbraw/zinc/83/26/56/1079832656.db2.gz SMHYOBLGANSIDK-CTNGQTDRSA-N 0 0 413.481 2.745 20 30 HFEDRN C[C@H](NC(=O)C(=O)NC1COC(C)(C)OC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000806655347 1079872825 /nfs/dbraw/zinc/87/28/25/1079872825.db2.gz BGGMRACJPIWSIJ-HNNXBMFYSA-N 0 0 407.470 2.670 20 30 HFEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCC(=O)c1ccccc1 ZINC000747343085 1079881275 /nfs/dbraw/zinc/88/12/75/1079881275.db2.gz FVKIVZXSFKNKTE-UHFFFAOYSA-N 0 0 402.410 2.889 20 30 HFEDRN C=CCc1ccc(OC[C@H](O)CN2C(=O)O[C@]3(CCc4ccccc43)C2=O)c(OC)c1 ZINC000806631352 1079887084 /nfs/dbraw/zinc/88/70/84/1079887084.db2.gz KJJOSBGQDZCSDP-KOSHJBKYSA-N 0 0 423.465 2.984 20 30 HFEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000747346090 1079938782 /nfs/dbraw/zinc/93/87/82/1079938782.db2.gz PKVHWNBDLQETFT-UHFFFAOYSA-N 0 0 415.515 2.987 20 30 HFEDRN C#CCC(CC#C)C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000806758968 1079977930 /nfs/dbraw/zinc/97/79/30/1079977930.db2.gz UKZAWMBRHKKEAN-UHFFFAOYSA-N 0 0 400.276 2.906 20 30 HFEDRN COC[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccco1 ZINC000806777437 1079994838 /nfs/dbraw/zinc/99/48/38/1079994838.db2.gz FBNPBPQIRWXOOF-QGZVFWFLSA-N 0 0 409.467 3.000 20 30 HFEDRN O=C(NCCNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1)C1N=CC=CC1=O ZINC000806780726 1080005246 /nfs/dbraw/zinc/00/52/46/1080005246.db2.gz FJFBROVEDRJILZ-NQKFGRBQSA-N 0 0 418.444 2.784 20 30 HFEDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000806780819 1080007055 /nfs/dbraw/zinc/00/70/55/1080007055.db2.gz RCRFJHHDFACSJI-IFUHRQOBSA-N 0 0 412.490 2.704 20 30 HFEDRN C=CCOc1ccccc1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806784177 1080008208 /nfs/dbraw/zinc/00/82/08/1080008208.db2.gz OQQQTNBZLXQTCX-MOPGFXCFSA-N 0 0 417.506 2.831 20 30 HFEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2CCC(=O)NC)ccc1OC ZINC000806805983 1080022943 /nfs/dbraw/zinc/02/29/43/1080022943.db2.gz KHURKYUHJLGBLQ-ROUUACIJSA-N 0 0 416.522 2.966 20 30 HFEDRN CC(=O)N[C@@H](CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)c1ccc(C)cc1 ZINC001130753309 1080025520 /nfs/dbraw/zinc/02/55/20/1080025520.db2.gz CCJKYLVZFXCBKE-IBGZPJMESA-N 0 0 402.458 2.713 20 30 HFEDRN Cc1cc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c(F)cc1Br ZINC000806813396 1080026147 /nfs/dbraw/zinc/02/61/47/1080026147.db2.gz XVAMDZGMIIDFRA-CCEZHUSRSA-N 0 0 411.231 2.545 20 30 HFEDRN C#CCN(C(=O)Nc1cccc(Cl)c1OCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000806825775 1080040899 /nfs/dbraw/zinc/04/08/99/1080040899.db2.gz SAIGFOHLEKPDEQ-NSHDSACASA-N 0 0 406.838 2.638 20 30 HFEDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000806897482 1080103807 /nfs/dbraw/zinc/10/38/07/1080103807.db2.gz UEKNPQSYDCQCJQ-FQEVSTJZSA-N 0 0 409.534 2.513 20 30 HFEDRN C#Cc1cncc(C(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000806960904 1080126626 /nfs/dbraw/zinc/12/66/26/1080126626.db2.gz HYEMNAQFUJNUPI-JOCHJYFZSA-N 0 0 420.490 2.994 20 30 HFEDRN C#CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccccc1 ZINC000806951969 1080163522 /nfs/dbraw/zinc/16/35/22/1080163522.db2.gz RNFFMNGOHUJHRY-GOSISDBHSA-N 0 0 408.433 2.565 20 30 HFEDRN N#Cc1cnn(-c2ccc(C(=O)NC3(C(=O)OCc4ccccc4)CCC3)cc2)c1N ZINC001626115336 1080169497 /nfs/dbraw/zinc/16/94/97/1080169497.db2.gz IESNXBQFADUYPD-UHFFFAOYSA-N 0 0 415.453 2.722 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2)[C@H]1CCCO1 ZINC000806986110 1080199100 /nfs/dbraw/zinc/19/91/00/1080199100.db2.gz GTXSHMHNZKBLFS-IJEWVQPXSA-N 0 0 403.548 2.920 20 30 HFEDRN C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 ZINC000807009358 1080208378 /nfs/dbraw/zinc/20/83/78/1080208378.db2.gz BRNALONYFLRMHR-UHFFFAOYSA-N 0 0 412.417 2.973 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000807013125 1080210972 /nfs/dbraw/zinc/21/09/72/1080210972.db2.gz HLYHVZCDLSDXRP-QGZVFWFLSA-N 0 0 410.478 2.784 20 30 HFEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)cc1Br ZINC001130824049 1080233661 /nfs/dbraw/zinc/23/36/61/1080233661.db2.gz ANHAWZPLARXDLP-UHFFFAOYSA-N 0 0 412.280 2.883 20 30 HFEDRN C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000805276009 1080257002 /nfs/dbraw/zinc/25/70/02/1080257002.db2.gz RDFOWBWXSPTAHP-OAHLLOKOSA-N 0 0 406.426 2.936 20 30 HFEDRN CCc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000807090385 1080270274 /nfs/dbraw/zinc/27/02/74/1080270274.db2.gz RMOHTIJZAFRQNX-RTWAWAEBSA-N 0 0 406.486 2.649 20 30 HFEDRN C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1nccn1-c1ccccc1 ZINC000807109973 1080287994 /nfs/dbraw/zinc/28/79/94/1080287994.db2.gz OKTGFULRRLROHI-XYJFISCASA-N 0 0 424.505 2.992 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000807176503 1080297499 /nfs/dbraw/zinc/29/74/99/1080297499.db2.gz DJKBAFXZBGSGEQ-IBGZPJMESA-N 0 0 405.564 2.513 20 30 HFEDRN N#Cc1ccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc1 ZINC000807155088 1080311430 /nfs/dbraw/zinc/31/14/30/1080311430.db2.gz DIBBSZCLHJZFRA-UHFFFAOYSA-N 0 0 416.235 2.892 20 30 HFEDRN C#CCC(CC#C)C(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000807168340 1080323859 /nfs/dbraw/zinc/32/38/59/1080323859.db2.gz VGZZRNUHALGYKV-QGZVFWFLSA-N 0 0 415.287 2.794 20 30 HFEDRN C=CCCSCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001130881464 1080389946 /nfs/dbraw/zinc/38/99/46/1080389946.db2.gz GPGNWOGFCFQDBK-UHFFFAOYSA-N 0 0 402.607 2.891 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)c2)s1 ZINC000807248859 1080406035 /nfs/dbraw/zinc/40/60/35/1080406035.db2.gz GRKUHWADYYOMOD-MRXNPFEDSA-N 0 0 409.511 2.930 20 30 HFEDRN CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248603 1080406056 /nfs/dbraw/zinc/40/60/56/1080406056.db2.gz DACSLMTWWPEYCA-MJGOQNOKSA-N 0 0 411.527 2.912 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N(CCO)Cc3ccccc3)c2)s1 ZINC000807248455 1080406843 /nfs/dbraw/zinc/40/68/43/1080406843.db2.gz UHMXZKVNTZVZDB-UHFFFAOYSA-N 0 0 419.506 2.924 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)c2)s1 ZINC000807249481 1080408823 /nfs/dbraw/zinc/40/88/23/1080408823.db2.gz WKPWRYBYLPVCQN-QZTJIDSGSA-N 0 0 409.511 2.788 20 30 HFEDRN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000807284578 1080445520 /nfs/dbraw/zinc/44/55/20/1080445520.db2.gz OAQBYTFULXUGRJ-QFIPXVFZSA-N 0 0 417.509 2.737 20 30 HFEDRN C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1 ZINC000807288697 1080454054 /nfs/dbraw/zinc/45/40/54/1080454054.db2.gz URQDTMOVGJBKLO-UHFFFAOYSA-N 0 0 409.486 2.651 20 30 HFEDRN C#CCOc1ccc(NC(=O)C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)cc1 ZINC000807289691 1080456504 /nfs/dbraw/zinc/45/65/04/1080456504.db2.gz FDKLTMXFFKVVFZ-UHFFFAOYSA-N 0 0 402.397 2.889 20 30 HFEDRN COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)C#Cc1ccccc1)CC2 ZINC000747386981 1080459821 /nfs/dbraw/zinc/45/98/21/1080459821.db2.gz SLMIGENYVVQEBR-UHFFFAOYSA-N 0 0 406.482 2.537 20 30 HFEDRN C#Cc1cccc(N(C)C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)c1 ZINC000747381241 1080470832 /nfs/dbraw/zinc/47/08/32/1080470832.db2.gz FHVCSNHUEKNCGT-UHFFFAOYSA-N 0 0 407.289 2.663 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1)c1ccc(Cl)cc1F ZINC000807326133 1080476193 /nfs/dbraw/zinc/47/61/93/1080476193.db2.gz ZZHXKTFJUFGDAG-HNNXBMFYSA-N 0 0 415.787 2.628 20 30 HFEDRN CCc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000807297191 1080490198 /nfs/dbraw/zinc/49/01/98/1080490198.db2.gz NYCOTOLWFARRGR-QGZVFWFLSA-N 0 0 416.275 2.671 20 30 HFEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC001130905415 1080496099 /nfs/dbraw/zinc/49/60/99/1080496099.db2.gz ZFURSRPDLUXOJX-DOTOQJQBSA-N 0 0 412.577 2.563 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(Cl)cc1F ZINC000807327320 1080500629 /nfs/dbraw/zinc/50/06/29/1080500629.db2.gz AWTBKOFZQZFEGO-MRXNPFEDSA-N 0 0 417.824 2.875 20 30 HFEDRN COc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000807319506 1080513604 /nfs/dbraw/zinc/51/36/04/1080513604.db2.gz DRHVMSNMQIBOBP-OAQYLSRUSA-N 0 0 400.438 2.749 20 30 HFEDRN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000807358132 1080519193 /nfs/dbraw/zinc/51/91/93/1080519193.db2.gz URDUMLABLFOODY-CQSZACIVSA-N 0 0 420.256 2.627 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(Cl)cc1F ZINC000807327967 1080526010 /nfs/dbraw/zinc/52/60/10/1080526010.db2.gz LBZIXSMVHICIRM-HNNXBMFYSA-N 0 0 408.216 2.661 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(F)c1C(=O)OC)c1ccc(Cl)cc1F ZINC000807327925 1080526052 /nfs/dbraw/zinc/52/60/52/1080526052.db2.gz WQXDYKGOEPELJA-AWEZNQCLSA-N 0 0 406.772 2.834 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(Cl)cc1F ZINC000807329298 1080526741 /nfs/dbraw/zinc/52/67/41/1080526741.db2.gz UBHGFMJMYGIYMC-QGZVFWFLSA-N 0 0 411.820 2.760 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[S@](C)=O)c1ccc(Cl)cc1F ZINC000807329381 1080528141 /nfs/dbraw/zinc/52/81/41/1080528141.db2.gz VZZLHCZNDRTXNO-JWIGPWBQSA-N 0 0 406.866 2.787 20 30 HFEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000807329849 1080528896 /nfs/dbraw/zinc/52/88/96/1080528896.db2.gz HJMOAOQGAOAVNC-HBFSDRIKSA-N 0 0 423.444 2.698 20 30 HFEDRN COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001130914537 1080529940 /nfs/dbraw/zinc/52/99/40/1080529940.db2.gz IPHPAGXLTZJJOZ-HSZRJFAPSA-N 0 0 408.454 2.931 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000807330356 1080530573 /nfs/dbraw/zinc/53/05/73/1080530573.db2.gz NRXSOUQWAQLQTO-NSHDSACASA-N 0 0 402.735 2.661 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000807330371 1080530637 /nfs/dbraw/zinc/53/06/37/1080530637.db2.gz OASFRVIJNMSKRZ-VELGLUOQSA-N 0 0 419.481 2.947 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)c1ccc(Cl)cc1F ZINC000807331615 1080531325 /nfs/dbraw/zinc/53/13/25/1080531325.db2.gz WAMNKMPNEIAAPQ-SFHVURJKSA-N 0 0 413.836 2.536 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000807335265 1080534351 /nfs/dbraw/zinc/53/43/51/1080534351.db2.gz GHKYJRFWWYAAAX-HXUWFJFHSA-N 0 0 404.445 2.760 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000807335443 1080536180 /nfs/dbraw/zinc/53/61/80/1080536180.db2.gz CFXDIGRTVKNHOA-AWEZNQCLSA-N 0 0 417.368 2.886 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000807336419 1080536472 /nfs/dbraw/zinc/53/64/72/1080536472.db2.gz HIHFOHNWOGNFFX-RBBKRZOGSA-N 0 0 406.482 2.934 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000807336583 1080536986 /nfs/dbraw/zinc/53/69/86/1080536986.db2.gz HZXFKSIJVDFTMG-HXUWFJFHSA-N 0 0 407.539 2.929 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000807337685 1080540334 /nfs/dbraw/zinc/54/03/34/1080540334.db2.gz WAGDURUIRMRKAI-SFHVURJKSA-N 0 0 406.486 2.778 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1 ZINC000807339507 1080542218 /nfs/dbraw/zinc/54/22/18/1080542218.db2.gz VVISXEOEDILTIU-FQEVSTJZSA-N 0 0 416.481 2.629 20 30 HFEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000807387013 1080582581 /nfs/dbraw/zinc/58/25/81/1080582581.db2.gz VCINJOJUWZHRRK-UHFFFAOYSA-N 0 0 408.639 2.935 20 30 HFEDRN N#Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1Cl ZINC000807387383 1080583281 /nfs/dbraw/zinc/58/32/81/1080583281.db2.gz IOCUUNNYSYYAPP-UHFFFAOYSA-N 0 0 408.639 2.935 20 30 HFEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000747396239 1080592493 /nfs/dbraw/zinc/59/24/93/1080592493.db2.gz ZGWGLUBATAQSMN-QGZVFWFLSA-N 0 0 410.865 2.991 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000807404062 1080598692 /nfs/dbraw/zinc/59/86/92/1080598692.db2.gz XFQMCOSLQVRAEU-UHFFFAOYSA-N 0 0 406.467 2.814 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000807404800 1080599393 /nfs/dbraw/zinc/59/93/93/1080599393.db2.gz XUBKUHKFASQWSC-UHFFFAOYSA-N 0 0 423.366 2.961 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000807404643 1080599423 /nfs/dbraw/zinc/59/94/23/1080599423.db2.gz BCJNECXPNBNQNT-KDURUIRLSA-N 0 0 405.498 2.901 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC000807404399 1080599949 /nfs/dbraw/zinc/59/99/49/1080599949.db2.gz PEJUWCQRKPZCLK-UHFFFAOYSA-N 0 0 408.454 2.861 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000807408019 1080601770 /nfs/dbraw/zinc/60/17/70/1080601770.db2.gz VECHZUJQRKXRFY-UHFFFAOYSA-N 0 0 403.482 2.832 20 30 HFEDRN N#Cc1ccc(NC(=O)C(=O)NCC(F)(F)Br)cc1C(F)(F)F ZINC000807445851 1080624383 /nfs/dbraw/zinc/62/43/83/1080624383.db2.gz BRRJJXAXHFJKPB-UHFFFAOYSA-N 0 0 400.101 2.619 20 30 HFEDRN N#Cc1cccc(N(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C2CCC2)c1 ZINC001130955351 1080624389 /nfs/dbraw/zinc/62/43/89/1080624389.db2.gz IUAUEJIPWWCEPF-UHFFFAOYSA-N 0 0 414.465 2.516 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000807465363 1080642511 /nfs/dbraw/zinc/64/25/11/1080642511.db2.gz BKIREXWWRWVORF-SFHVURJKSA-N 0 0 401.461 2.740 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccnn2CCC(C)C)cc1C#N ZINC000807466962 1080643749 /nfs/dbraw/zinc/64/37/49/1080643749.db2.gz IABWOGKUEAXYFJ-UHFFFAOYSA-N 0 0 412.450 2.946 20 30 HFEDRN C#Cc1cncc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c1 ZINC000807468797 1080646693 /nfs/dbraw/zinc/64/66/93/1080646693.db2.gz CNYQKBLEEYDLHP-UHFFFAOYSA-N 0 0 402.267 2.923 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807488140 1080673290 /nfs/dbraw/zinc/67/32/90/1080673290.db2.gz RYBDNYFOVNHUJN-INIZCTEOSA-N 0 0 424.350 2.645 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1)C(C)(C)C ZINC000807533843 1080748692 /nfs/dbraw/zinc/74/86/92/1080748692.db2.gz FRJSHYTZNHEPGZ-HNNXBMFYSA-N 0 0 418.881 2.682 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC000807534641 1080749715 /nfs/dbraw/zinc/74/97/15/1080749715.db2.gz KJWSGGZTIPYRDB-OAHLLOKOSA-N 0 0 422.407 2.933 20 30 HFEDRN C=CCCN(OCc1ccccc1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000807539917 1080755215 /nfs/dbraw/zinc/75/52/15/1080755215.db2.gz MMIULPRZXAECJD-KRWDZBQOSA-N 0 0 401.429 2.969 20 30 HFEDRN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N(Cc3ccc(C#N)cc3)C(C)C)C2=O)cc1 ZINC000807587462 1080797499 /nfs/dbraw/zinc/79/74/99/1080797499.db2.gz QBZYKUSGJQLEQD-NRFANRHFSA-N 0 0 418.497 2.525 20 30 HFEDRN O=C(C#Cc1ccccc1)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000747408118 1080805477 /nfs/dbraw/zinc/80/54/77/1080805477.db2.gz CGYMHRIIXPBRGP-UHFFFAOYSA-N 0 0 402.541 2.633 20 30 HFEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]1(C)C(=O)OC ZINC001164391006 718805089 /nfs/dbraw/zinc/80/50/89/718805089.db2.gz UADLMHSFOAWUKK-INIZCTEOSA-N 0 0 401.797 2.860 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)nc1Cl ZINC001164690528 719762659 /nfs/dbraw/zinc/76/26/59/719762659.db2.gz DFYPHOGSNFPZSW-CABCVRRESA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001164692966 719763472 /nfs/dbraw/zinc/76/34/72/719763472.db2.gz WSWYHXSJTBZGKM-HZPDHXFCSA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC001164692963 719763745 /nfs/dbraw/zinc/76/37/45/719763745.db2.gz WSWYHXSJTBZGKM-HOTGVXAUSA-N 0 0 403.820 2.926 20 30 HFEDRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)C3)n1 ZINC001164803714 720054321 /nfs/dbraw/zinc/05/43/21/720054321.db2.gz KEYHMIXPOKMZET-PSLIRLAXSA-N 0 0 416.215 2.901 20 30 HFEDRN N#Cc1cc(C(F)(F)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)cc(Cl)n1 ZINC001164815203 720264817 /nfs/dbraw/zinc/26/48/17/720264817.db2.gz BSYIAOWRTLOSTI-ZDUSSCGKSA-N 0 0 420.851 2.607 20 30 HFEDRN N#Cc1cc(C(F)(F)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)cnc1Cl ZINC001164815771 720264884 /nfs/dbraw/zinc/26/48/84/720264884.db2.gz FAQALEVVVUNBJQ-CQSZACIVSA-N 0 0 420.851 2.607 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@@H]21 ZINC001164829078 720419132 /nfs/dbraw/zinc/41/91/32/720419132.db2.gz ZMSHTHGYDPXJEF-XJKCOSOUSA-N 0 0 412.868 2.765 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]21 ZINC001164823057 720419482 /nfs/dbraw/zinc/41/94/82/720419482.db2.gz HHUXBWPNTVHOTK-BPLDGKMQSA-N 0 0 412.868 2.765 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21 ZINC001164822162 720419542 /nfs/dbraw/zinc/41/95/42/720419542.db2.gz BYZRCQPBYZHWQN-ILXRZTDVSA-N 0 0 412.868 2.765 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)nc1Cl ZINC001164849384 720809618 /nfs/dbraw/zinc/80/96/18/720809618.db2.gz GNJHILOPYTUUQR-CABCVRRESA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(C(F)(F)N2CC[C@H]3OCC[C@]3(C(=O)NCC3CC3)C2)cnc1Cl ZINC001164882701 721342451 /nfs/dbraw/zinc/34/24/51/721342451.db2.gz HCSARNRHMSCCRF-QAPCUYQASA-N 0 0 410.852 2.663 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)cnc1Cl ZINC001164885766 721364517 /nfs/dbraw/zinc/36/45/17/721364517.db2.gz ZAWAUHONXNTASW-HZPDHXFCSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)c1 ZINC001164882995 721364954 /nfs/dbraw/zinc/36/49/54/721364954.db2.gz MNJAGQCNKIFKIA-LSDHHAIUSA-N 0 0 422.794 2.911 20 30 HFEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164885480 721374572 /nfs/dbraw/zinc/37/45/72/721374572.db2.gz IKHRHZPNZDGSGG-MRXNPFEDSA-N 0 0 418.897 2.936 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2COC[C@@]2(CC(=O)NCC2CC2)C1 ZINC001164899277 721480712 /nfs/dbraw/zinc/48/07/12/721480712.db2.gz YVJMTMHCTBQJSJ-FZKQIMNGSA-N 0 0 410.852 2.521 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)cnc1Cl ZINC001164898069 721482044 /nfs/dbraw/zinc/48/20/44/721482044.db2.gz VIVJRFUJVNEJJQ-QAPCUYQASA-N 0 0 410.852 2.521 20 30 HFEDRN N#Cc1cc(C(F)(F)N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cc(Cl)n1 ZINC001164805243 721607597 /nfs/dbraw/zinc/60/75/97/721607597.db2.gz NJENWARKGWDNHJ-SJLPKXTDSA-N 0 0 423.851 2.803 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]21 ZINC001164943052 721941735 /nfs/dbraw/zinc/94/17/35/721941735.db2.gz NFMUWAKMLIUXEA-IRXDYDNUSA-N 0 0 423.851 2.846 20 30 HFEDRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164954901 722007739 /nfs/dbraw/zinc/00/77/39/722007739.db2.gz QSZPDDOFSCJKDQ-GUYCJALGSA-N 0 0 413.856 2.551 20 30 HFEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CCO2 ZINC001164973796 722166650 /nfs/dbraw/zinc/16/66/50/722166650.db2.gz DFBZYKWYMRLETE-SCLBCKFNSA-N 0 0 415.868 2.957 20 30 HFEDRN CC(N=Nc1ncnc2c1c(Br)nn2C)c1ccc(C(=O)N(C)C)cc1 ZINC000793005067 1078046214 /nfs/dbraw/zinc/04/62/14/1078046214.db2.gz RPIQJSGPSABJLP-UHFFFAOYSA-N 0 0 416.283 2.664 20 30 HFEDRN C#C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCCO1 ZINC000790502309 1078046885 /nfs/dbraw/zinc/04/68/85/1078046885.db2.gz MXSGUKFPPUFVGD-ROUUACIJSA-N 0 0 405.539 2.990 20 30 HFEDRN CCN(CC)S(=O)(=O)c1ccc(NCCO)c(NCc2ccc(C#N)c(F)c2)c1 ZINC000790516490 1078049200 /nfs/dbraw/zinc/04/92/00/1078049200.db2.gz AFQLXKRZGDNOEP-UHFFFAOYSA-N 0 0 420.510 2.744 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc1C#N ZINC000790518227 1078049296 /nfs/dbraw/zinc/04/92/96/1078049296.db2.gz KXRIAKNUDRXODQ-CQSZACIVSA-N 0 0 402.451 2.928 20 30 HFEDRN CCOc1ccc(NCc2ccc(C#N)c(F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000790519953 1078049714 /nfs/dbraw/zinc/04/97/14/1078049714.db2.gz SGWLKYCIWNSPEW-UHFFFAOYSA-N 0 0 419.478 2.729 20 30 HFEDRN C#CC[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1)c1ccccc1 ZINC000793016822 1078050500 /nfs/dbraw/zinc/05/05/00/1078050500.db2.gz RQQOOCVRXRJMQF-NRFANRHFSA-N 0 0 402.454 2.759 20 30 HFEDRN C#CCOCCNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000793043641 1078054289 /nfs/dbraw/zinc/05/42/89/1078054289.db2.gz BIVRMKZASBGBRD-CYBMUJFWSA-N 0 0 400.260 2.561 20 30 HFEDRN CC#CCCNC(=O)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000793049389 1078056395 /nfs/dbraw/zinc/05/63/95/1078056395.db2.gz PCWCJRNUQYWOHX-UHFFFAOYSA-N 0 0 403.454 2.587 20 30 HFEDRN Cc1nc(NC(=O)c2cnc(Br)c(Cl)c2)n(-c2ccc(C#N)cc2)n1 ZINC000790541740 1078059026 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DFHYMEOHKWECQO-GOSISDBHSA-N 0 0 408.458 2.637 20 30 HFEDRN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000807314857 1080507741 /nfs/dbraw/zinc/50/77/41/1080507741.db2.gz FEZNWGRVSKUPMC-GOSISDBHSA-N 0 0 414.380 2.534 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)OC)c1ccc(Cl)cc1F ZINC000807327878 1080525933 /nfs/dbraw/zinc/52/59/33/1080525933.db2.gz VWULVXDBBSNYQV-INIZCTEOSA-N 0 0 418.808 2.704 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(Cl)cc1F ZINC000807329311 1080526711 /nfs/dbraw/zinc/52/67/11/1080526711.db2.gz UDRHPKKVAGJXCH-OAHLLOKOSA-N 0 0 401.829 2.731 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)cc1F ZINC000807328795 1080527420 /nfs/dbraw/zinc/52/74/20/1080527420.db2.gz UIYQLSOXBRAAJI-HNNXBMFYSA-N 0 0 408.216 2.661 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)cc1F ZINC000807328797 1080527854 /nfs/dbraw/zinc/52/78/54/1080527854.db2.gz UIYQLSOXBRAAJI-OAHLLOKOSA-N 0 0 408.216 2.661 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(Cl)cc1F ZINC000807328486 1080527905 /nfs/dbraw/zinc/52/79/05/1080527905.db2.gz JNWFDWAEJFYQTJ-SCLBCKFNSA-N 0 0 413.836 2.512 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000807329386 1080528173 /nfs/dbraw/zinc/52/81/73/1080528173.db2.gz WAYPATMBVAKRTI-INIZCTEOSA-N 0 0 419.815 2.749 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1F ZINC000807329760 1080528420 /nfs/dbraw/zinc/52/84/20/1080528420.db2.gz FJENZBTZLOXQRL-OAHLLOKOSA-N 0 0 420.824 2.934 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1F ZINC000807329802 1080528444 /nfs/dbraw/zinc/52/84/44/1080528444.db2.gz GGBCDSWJTPSKIW-QGZVFWFLSA-N 0 0 411.824 2.548 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1)c1ccc(Cl)cc1F ZINC000807329545 1080529088 /nfs/dbraw/zinc/52/90/88/1080529088.db2.gz AGKCMLXFCCIRFW-MRXNPFEDSA-N 0 0 422.243 2.921 20 30 HFEDRN N#CCOc1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000807330466 1080530610 /nfs/dbraw/zinc/53/06/10/1080530610.db2.gz OXGMTULSVIUIRQ-NJDAHSKKSA-N 0 0 405.454 2.559 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000807336102 1080535669 /nfs/dbraw/zinc/53/56/69/1080535669.db2.gz WDCRJAAMKZZGOP-SFHVURJKSA-N 0 0 405.498 2.904 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000807335734 1080536227 /nfs/dbraw/zinc/53/62/27/1080536227.db2.gz MPUOICCQVDEXMF-HNNXBMFYSA-N 0 0 400.276 2.842 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000807336643 1080536927 /nfs/dbraw/zinc/53/69/27/1080536927.db2.gz GRLAEFUIIYCSRS-SFHVURJKSA-N 0 0 405.454 2.641 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000807337244 1080537304 /nfs/dbraw/zinc/53/73/04/1080537304.db2.gz PIWIADHDIPSFEP-QGZVFWFLSA-N 0 0 411.889 2.731 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000807338264 1080538535 /nfs/dbraw/zinc/53/85/35/1080538535.db2.gz DXGBEWZEACTEDL-NRFANRHFSA-N 0 0 417.509 2.920 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(NC(=O)NCC)ccc1C ZINC000807337977 1080539385 /nfs/dbraw/zinc/53/93/85/1080539385.db2.gz ZLFBSSULCPUKQS-SFHVURJKSA-N 0 0 406.486 2.826 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000807338489 1080541021 /nfs/dbraw/zinc/54/10/21/1080541021.db2.gz IWYZRDFUNWWSCL-MRXNPFEDSA-N 0 0 407.861 2.610 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000807338764 1080541029 /nfs/dbraw/zinc/54/10/29/1080541029.db2.gz MIHCEJQXEVTHGC-LJQANCHMSA-N 0 0 418.453 2.646 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000807339509 1080542211 /nfs/dbraw/zinc/54/22/11/1080542211.db2.gz VWLMVCAHRGUBGU-IBGZPJMESA-N 0 0 421.888 2.669 20 30 HFEDRN Cc1ccc([C@@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000807346335 1080550762 /nfs/dbraw/zinc/55/07/62/1080550762.db2.gz 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N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001165018079 721784138 /nfs/dbraw/zinc/78/41/38/721784138.db2.gz IFZAFDLPFIVQNQ-SFHVURJKSA-N 0 0 418.835 2.965 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]21 ZINC001164941656 721937311 /nfs/dbraw/zinc/93/73/11/721937311.db2.gz IYCIHYYAYVAYTA-SJORKVTESA-N 0 0 423.851 2.846 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21 ZINC001164945195 721947292 /nfs/dbraw/zinc/94/72/92/721947292.db2.gz TVHARFBFVTWBRO-CVEARBPZSA-N 0 0 423.851 2.846 20 30 HFEDRN N#Cc1cc2c(nc1N1CCC3(CC1)C(=O)NCCN3Cc1ccccc1)CCCC2 ZINC001164946754 721978368 /nfs/dbraw/zinc/97/83/68/721978368.db2.gz KMLHOLMPYXVKCD-UHFFFAOYSA-N 0 0 415.541 2.803 20 30 HFEDRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1 ZINC001164952815 722008922 /nfs/dbraw/zinc/00/89/22/722008922.db2.gz CEAQIAXGNZPAMG-GUYCJALGSA-N 0 0 413.856 2.551 20 30 HFEDRN COc1nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c(F)cc1C#N ZINC001164990104 722184865 /nfs/dbraw/zinc/18/48/65/722184865.db2.gz QBUTXMHXVGIQMU-MSOLQXFVSA-N 0 0 417.510 2.736 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001165005954 722270594 /nfs/dbraw/zinc/27/05/94/722270594.db2.gz KRCHDEXXXJGQJV-XMMPIXPASA-N 0 0 419.504 2.899 20 30 HFEDRN Brc1n[nH]c(Br)c1CN=Nc1nc(-c2ccncc2)no1 ZINC000793003062 1078045514 /nfs/dbraw/zinc/04/55/14/1078045514.db2.gz ARGXOOMPDASBSY-UHFFFAOYSA-N 0 0 413.033 2.826 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN=Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000793005669 1078045987 /nfs/dbraw/zinc/04/59/87/1078045987.db2.gz YITZGIJRHHMPJO-XOBRGWDASA-N 0 0 420.535 2.782 20 30 HFEDRN CC(C)(C)c1cc(NC(=O)C(=O)NCc2cccc(F)n2)n(-c2ccc(C#N)cc2)n1 ZINC000793010152 1078047671 /nfs/dbraw/zinc/04/76/71/1078047671.db2.gz PUVXLUMPPFARKA-UHFFFAOYSA-N 0 0 420.448 2.830 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1C#N ZINC000790517215 1078049211 /nfs/dbraw/zinc/04/92/11/1078049211.db2.gz DHXBTURFQGSVEW-PJSUUKDQSA-N 0 0 402.451 2.927 20 30 HFEDRN C=CCOC(=O)c1sc(NC(=O)N2C[C@@H](O)C(C)(C)C2)c(C(=O)OCC)c1C ZINC000790519029 1078049513 /nfs/dbraw/zinc/04/95/13/1078049513.db2.gz YBDQWIAHIOMMRR-GFCCVEGCSA-N 0 0 410.492 2.811 20 30 HFEDRN CCOC(=O)C1(COC)CCN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CC1 ZINC000793019234 1078051093 /nfs/dbraw/zinc/05/10/93/1078051093.db2.gz MSQZDBVGNZOWAT-GOSISDBHSA-N 0 0 417.506 2.869 20 30 HFEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000790559813 1078055880 /nfs/dbraw/zinc/05/58/80/1078055880.db2.gz KUFRKSBXLYJEOZ-UHFFFAOYSA-N 0 0 412.371 2.998 20 30 HFEDRN N#Cc1cccc(N2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000790569406 1078057847 /nfs/dbraw/zinc/05/78/47/1078057847.db2.gz WZVXLHYLCRPFDH-UHFFFAOYSA-N 0 0 403.801 2.545 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000793068903 1078062172 /nfs/dbraw/zinc/06/21/72/1078062172.db2.gz PITZFQNQHBRMFS-UHFFFAOYSA-N 0 0 411.462 2.709 20 30 HFEDRN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000793080125 1078063665 /nfs/dbraw/zinc/06/36/65/1078063665.db2.gz QZTCTYXLCPQNRE-PCCBWWKXSA-N 0 0 404.470 2.523 20 30 HFEDRN COc1cc(C(=O)/C=C\c2c(Br)c(C)nn2C)ccc1S(C)(=O)=O ZINC000790601218 1078064429 /nfs/dbraw/zinc/06/44/29/1078064429.db2.gz RIXXEYDMZQWMFL-SREVYHEPSA-N 0 0 413.293 2.799 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)Nc1ccccc1 ZINC000746927352 1078065252 /nfs/dbraw/zinc/06/52/52/1078065252.db2.gz BHPQTBVEESSYOT-UHFFFAOYSA-N 0 0 420.425 2.942 20 30 HFEDRN C=CCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)c1ccccc1 ZINC000746928700 1078065847 /nfs/dbraw/zinc/06/58/47/1078065847.db2.gz LYZBMIGJIYNLHC-UHFFFAOYSA-N 0 0 405.410 2.551 20 30 HFEDRN N#Cc1ccc(CNC(=O)COC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 ZINC000746929592 1078066363 /nfs/dbraw/zinc/06/63/63/1078066363.db2.gz DCZOBXPUAQSDPA-UHFFFAOYSA-N 0 0 417.421 2.984 20 30 HFEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCCC1CCOCC1 ZINC000790641136 1078073358 /nfs/dbraw/zinc/07/33/58/1078073358.db2.gz YRBOSDCVADGNOX-QHCPKHFHSA-N 0 0 412.486 2.902 20 30 HFEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cc2ccc3n[nH]cc3c2)cc1 ZINC000793104488 1078078903 /nfs/dbraw/zinc/07/89/03/1078078903.db2.gz SCZRDBYBROYSTF-CLCOLTQESA-N 0 0 411.487 2.557 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2cnccn2)c1 ZINC000793118872 1078084015 /nfs/dbraw/zinc/08/40/15/1078084015.db2.gz UGGOSIBLYSVGEV-LYBHJNIJSA-N 0 0 415.519 2.641 20 30 HFEDRN Cc1cc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)n(CCC#N)n1 ZINC000793153199 1078091702 /nfs/dbraw/zinc/09/17/02/1078091702.db2.gz ILPWSARATDFOJO-QZTJIDSGSA-N 0 0 418.457 2.636 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000793134404 1078087331 /nfs/dbraw/zinc/08/73/31/1078087331.db2.gz DFIJBFIUUATIRB-LYBHJNIJSA-N 0 0 411.487 2.799 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2cnccn2)cc1 ZINC000793136105 1078088025 /nfs/dbraw/zinc/08/80/25/1078088025.db2.gz YELZXXXSCPEBFJ-LYBHJNIJSA-N 0 0 415.519 2.641 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)CC2)o1 ZINC000793149784 1078090619 /nfs/dbraw/zinc/09/06/19/1078090619.db2.gz OHFXSWGUIPJUQU-UHFFFAOYSA-N 0 0 417.469 2.920 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000746940271 1078092619 /nfs/dbraw/zinc/09/26/19/1078092619.db2.gz AZLBBPMJUBPTBG-UHFFFAOYSA-N 0 0 414.414 2.749 20 30 HFEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cc1 ZINC000747107314 1078095143 /nfs/dbraw/zinc/09/51/43/1078095143.db2.gz BVFKWJYSWUEWEQ-HXUWFJFHSA-N 0 0 421.501 2.856 20 30 HFEDRN CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000793182721 1078095654 /nfs/dbraw/zinc/09/56/54/1078095654.db2.gz MVKTYVHTBKAHLC-HXUWFJFHSA-N 0 0 416.547 2.626 20 30 HFEDRN C[C@@]1(C(=O)NCCNc2ncccc2C#N)CCN(C(=O)OCc2ccccc2)C1 ZINC000793187295 1078096712 /nfs/dbraw/zinc/09/67/12/1078096712.db2.gz HVIZRUVCKGOXDU-JOCHJYFZSA-N 0 0 407.474 2.530 20 30 HFEDRN CN(C)S(=O)(=O)c1ccccc1NN=Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000793190697 1078097048 /nfs/dbraw/zinc/09/70/48/1078097048.db2.gz DZNXVTKNYPDDBO-UHFFFAOYSA-N 0 0 401.467 2.767 20 30 HFEDRN CC(=[NH+][N-]c1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000793193837 1078097740 /nfs/dbraw/zinc/09/77/40/1078097740.db2.gz SIKIBVJCWZOCLC-UHFFFAOYSA-N 0 0 420.510 2.749 20 30 HFEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000790692299 1078097935 /nfs/dbraw/zinc/09/79/35/1078097935.db2.gz CKYCUVKMXXKBQD-HNNXBMFYSA-N 0 0 401.488 2.943 20 30 HFEDRN Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000747109491 1078102953 /nfs/dbraw/zinc/10/29/53/1078102953.db2.gz UEGDHITWCVHJHH-GOSISDBHSA-N 0 0 406.442 2.666 20 30 HFEDRN COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000793245724 1078109218 /nfs/dbraw/zinc/10/92/18/1078109218.db2.gz MCNFTYKSEDFHLW-ZWKOTPCHSA-N 0 0 407.474 2.820 20 30 HFEDRN CS(=O)(=O)CC1(CC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000747109247 1078107172 /nfs/dbraw/zinc/10/71/72/1078107172.db2.gz NHTLLFTUXWUARC-CYBMUJFWSA-N 0 0 403.287 2.856 20 30 HFEDRN CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000793278620 1078110303 /nfs/dbraw/zinc/11/03/03/1078110303.db2.gz DCTJGMVJYSPUTP-QRVBRYPASA-N 0 0 410.495 2.924 20 30 HFEDRN CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000790757033 1078112005 /nfs/dbraw/zinc/11/20/05/1078112005.db2.gz ITQPAUYBXKRSRF-SLEUVZQESA-N 0 0 422.576 2.652 20 30 HFEDRN COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccsc1 ZINC000790758738 1078112339 /nfs/dbraw/zinc/11/23/39/1078112339.db2.gz DWWACWCUMNVKMN-OCCSQVGLSA-N 0 0 419.532 2.781 20 30 HFEDRN C[C@@H](OC(=O)Cn1ccc2ccccc2c1=O)C(=O)N(CCC#N)c1ccccc1 ZINC000790723211 1078115000 /nfs/dbraw/zinc/11/50/00/1078115000.db2.gz ODSDOBIMNXKGJU-QGZVFWFLSA-N 0 0 403.438 2.880 20 30 HFEDRN CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccsc2)[C@@]12CCCO2 ZINC000790743089 1078122207 /nfs/dbraw/zinc/12/22/07/1078122207.db2.gz USUILGCICQTTEO-GJRWTSMGSA-N 0 0 423.560 2.542 20 30 HFEDRN C=CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccsc1 ZINC000790742745 1078122588 /nfs/dbraw/zinc/12/25/88/1078122588.db2.gz OSGDTCMZQJTEDM-AWEZNQCLSA-N 0 0 417.516 2.701 20 30 HFEDRN Cc1ccc(-n2nc(CCCNC(=O)NCc3cccnc3F)c(C#N)c2N)cc1 ZINC000793300100 1078122610 /nfs/dbraw/zinc/12/26/10/1078122610.db2.gz WNGRXMYWFKHGGT-UHFFFAOYSA-N 0 0 407.453 2.601 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCCc3cn(-c4ccccc4F)nn3)CC2)o1 ZINC000793301448 1078122631 /nfs/dbraw/zinc/12/26/31/1078122631.db2.gz BPOPJVLPWQBMLN-UHFFFAOYSA-N 0 0 424.436 2.577 20 30 HFEDRN CNC(=O)CC1SC(=Nc2ccsc2)N(CC[C@@H](OC)C(F)(F)F)C1=O ZINC000790746696 1078123868 /nfs/dbraw/zinc/12/38/68/1078123868.db2.gz KWCWBMBGMINHAQ-WDEREUQCSA-N 0 0 409.455 2.783 20 30 HFEDRN COCCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000790774613 1078130623 /nfs/dbraw/zinc/13/06/23/1078130623.db2.gz YOCHKBKONPIQNB-UHFFFAOYSA-N 0 0 413.927 2.517 20 30 HFEDRN 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C=CCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000787361463 1076772656 /nfs/dbraw/zinc/77/26/56/1076772656.db2.gz REXLBHRRHSKOPV-UHFFFAOYSA-N 0 0 405.432 2.749 20 30 HFEDRN CC(C)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 ZINC000787364212 1076774531 /nfs/dbraw/zinc/77/45/31/1076774531.db2.gz CDIWWFRANQBSIX-GOSISDBHSA-N 0 0 413.543 2.746 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C)c2Br)c1 ZINC000787336827 1076782389 /nfs/dbraw/zinc/78/23/89/1076782389.db2.gz RPNYZNZKJXHVEA-UHFFFAOYSA-N 0 0 421.316 2.599 20 30 HFEDRN CCC(CC)(CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000787341245 1076786174 /nfs/dbraw/zinc/78/61/74/1076786174.db2.gz AREPFFOSFLIUEC-HNNXBMFYSA-N 0 0 416.522 2.935 20 30 HFEDRN CC(C)[C@H](CCN(C)C(=O)C(=O)NCc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000787346050 1076787983 /nfs/dbraw/zinc/78/79/83/1076787983.db2.gz SIBOPBMNNWMENZ-SFHVURJKSA-N 0 0 416.522 2.572 20 30 HFEDRN C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000787347620 1076789300 /nfs/dbraw/zinc/78/93/00/1076789300.db2.gz FRTDTFAEIPWYLC-UZLBHIALSA-N 0 0 407.470 2.649 20 30 HFEDRN C[C@@H](NC(=O)C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000787349678 1076790458 /nfs/dbraw/zinc/79/04/58/1076790458.db2.gz LPTDZUJTJKVFNB-CRAIPNDOSA-N 0 0 414.506 2.641 20 30 HFEDRN C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000787349697 1076790806 /nfs/dbraw/zinc/79/08/06/1076790806.db2.gz MJKFARFOTHOTBP-MPGHIAIKSA-N 0 0 414.506 2.640 20 30 HFEDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000787350671 1076791052 /nfs/dbraw/zinc/79/10/52/1076791052.db2.gz SNPVXFCFBVSRDS-HOTGVXAUSA-N 0 0 404.470 2.740 20 30 HFEDRN C[C@@H](NC(=O)C(=O)NCCSCc1ccnc(Cl)c1)c1ccc(C#N)cc1 ZINC000787352189 1076793399 /nfs/dbraw/zinc/79/33/99/1076793399.db2.gz XGQZTWJQECJDES-CYBMUJFWSA-N 0 0 402.907 2.833 20 30 HFEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)ccc21 ZINC000787355020 1076794327 /nfs/dbraw/zinc/79/43/27/1076794327.db2.gz PSWPORILZUHLEY-HXUWFJFHSA-N 0 0 403.438 2.990 20 30 HFEDRN Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787384871 1076803445 /nfs/dbraw/zinc/80/34/45/1076803445.db2.gz XJSNCZVHOCABLK-UHFFFAOYSA-N 0 0 402.296 2.663 20 30 HFEDRN CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(F)(F)F ZINC000787402028 1076808273 /nfs/dbraw/zinc/80/82/73/1076808273.db2.gz DXMDPJOIGFNCNT-MDUHSQENSA-N 0 0 406.430 2.962 20 30 HFEDRN CCOC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)C ZINC000787516462 1076824783 /nfs/dbraw/zinc/82/47/83/1076824783.db2.gz UGMFUPIWYGGCHM-IBGZPJMESA-N 0 0 400.479 2.979 20 30 HFEDRN CCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000787530601 1076850400 /nfs/dbraw/zinc/85/04/00/1076850400.db2.gz RTNVVNQIFCCRTE-UHFFFAOYSA-N 0 0 403.523 2.883 20 30 HFEDRN C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)NC1(C#N)CCC1 ZINC000787550723 1076856160 /nfs/dbraw/zinc/85/61/60/1076856160.db2.gz NAHUUEBADOYNPU-CQSZACIVSA-N 0 0 417.421 2.595 20 30 HFEDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)NC1(C#N)CCC1 ZINC000787552190 1076856306 /nfs/dbraw/zinc/85/63/06/1076856306.db2.gz ADNFMOZJXSZDDZ-OAHLLOKOSA-N 0 0 414.462 2.939 20 30 HFEDRN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787552265 1076856353 /nfs/dbraw/zinc/85/63/53/1076856353.db2.gz YTVDHGKIMOKAAH-GDBMZVCRSA-N 0 0 417.893 2.686 20 30 HFEDRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787552774 1076856938 /nfs/dbraw/zinc/85/69/38/1076856938.db2.gz HQBBHSPEXXIGGV-PBHICJAKSA-N 0 0 419.909 2.979 20 30 HFEDRN C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787564532 1076866006 /nfs/dbraw/zinc/86/60/06/1076866006.db2.gz KWCYGGLCNINFBF-FXAWDEMLSA-N 0 0 419.481 2.522 20 30 HFEDRN C[C@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000787574269 1076868819 /nfs/dbraw/zinc/86/88/19/1076868819.db2.gz FPOLKLJRTWJLHR-UMAGTOLTSA-N 0 0 409.364 2.851 20 30 HFEDRN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000787611811 1076878406 /nfs/dbraw/zinc/87/84/06/1076878406.db2.gz WGCTVAROFUSAMX-HNNXBMFYSA-N 0 0 414.731 2.618 20 30 HFEDRN C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCC1 ZINC000787628384 1076882865 /nfs/dbraw/zinc/88/28/65/1076882865.db2.gz KRAAPCOTDSNUIV-RDJZCZTQSA-N 0 0 415.490 2.617 20 30 HFEDRN COc1cc(NC(=O)CON=CC(=O)Nc2cc(F)ccc2C)cc(OC)c1OC ZINC000746699248 1076882876 /nfs/dbraw/zinc/88/28/76/1076882876.db2.gz MXZJJQITZLQILH-UHFFFAOYSA-N 0 0 419.409 2.740 20 30 HFEDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000787629069 1076883425 /nfs/dbraw/zinc/88/34/25/1076883425.db2.gz WZUUTMBMTXQJRM-PVAXWEITSA-N 0 0 422.279 2.551 20 30 HFEDRN C#CCN(C(=O)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)C1CCCC1 ZINC000787598046 1076887071 /nfs/dbraw/zinc/88/70/71/1076887071.db2.gz KUDVTQRRJKZHOJ-NRFANRHFSA-N 0 0 411.546 2.743 20 30 HFEDRN CCCCCn1nc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)c2ccccc2c1=O ZINC000787605381 1076889452 /nfs/dbraw/zinc/88/94/52/1076889452.db2.gz YWWUGUDONPNTDI-OAHLLOKOSA-N 0 0 410.474 2.694 20 30 HFEDRN C[C@@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CCC1 ZINC000787641723 1076893019 /nfs/dbraw/zinc/89/30/19/1076893019.db2.gz KVQNZNICFBBLGV-GHMZBOCLSA-N 0 0 413.243 2.850 20 30 HFEDRN C[C@@H](OC(=O)c1ccc(F)cc1I)C(=O)NC1(C#N)CCC1 ZINC000787641851 1076893779 /nfs/dbraw/zinc/89/37/79/1076893779.db2.gz LXALEPKCFJZOAL-SECBINFHSA-N 0 0 416.190 2.538 20 30 HFEDRN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)C(=O)NC1(C#N)CCC1 ZINC000787644379 1076894807 /nfs/dbraw/zinc/89/48/07/1076894807.db2.gz IKEFELFSTIMGBK-CABCVRRESA-N 0 0 416.453 2.564 20 30 HFEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787647169 1076896253 /nfs/dbraw/zinc/89/62/53/1076896253.db2.gz IVPZPHXQZQIIRY-KRWDZBQOSA-N 0 0 419.840 2.926 20 30 HFEDRN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)C[C@@H](C)O1 ZINC000787649627 1076897579 /nfs/dbraw/zinc/89/75/79/1076897579.db2.gz KNDANBAYIIEDBE-MCFFVMPBSA-N 0 0 418.497 2.914 20 30 HFEDRN C[C@H](OC(=O)c1ccc(CNC(=O)c2cccs2)cc1)C(=O)NC1(C#N)CCC1 ZINC000787651382 1076897810 /nfs/dbraw/zinc/89/78/10/1076897810.db2.gz DOEWDDPCMLWRPE-AWEZNQCLSA-N 0 0 411.483 2.786 20 30 HFEDRN CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000787652534 1076898971 /nfs/dbraw/zinc/89/89/71/1076898971.db2.gz BLIXVOGUBPSWFU-QGZVFWFLSA-N 0 0 410.861 2.656 20 30 HFEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787653937 1076899120 /nfs/dbraw/zinc/89/91/20/1076899120.db2.gz WHYDLLMFMNSGMU-QWRGUYRKSA-N 0 0 412.273 2.606 20 30 HFEDRN C[C@H](OC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)NC1(C#N)CCC1 ZINC000787678293 1076899751 /nfs/dbraw/zinc/89/97/51/1076899751.db2.gz YYNMCUGDKFBAMJ-LBPRGKRZSA-N 0 0 406.364 2.999 20 30 HFEDRN C[C@H](OC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(=O)NC1(C#N)CCC1 ZINC000787662867 1076903492 /nfs/dbraw/zinc/90/34/92/1076903492.db2.gz PNCANMQLLCGJDN-WCQYABFASA-N 0 0 424.284 2.840 20 30 HFEDRN Cc1onc(CC(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)c1C#N ZINC000787669255 1076905172 /nfs/dbraw/zinc/90/51/72/1076905172.db2.gz XFSBYYNNDLJBKJ-UHFFFAOYSA-N 0 0 418.295 2.550 20 30 HFEDRN CCOCCCn1c2nn(CN(C)C[C@@H](C)C#N)c(=S)n2c2ccccc2c1=O ZINC000746706335 1076907264 /nfs/dbraw/zinc/90/72/64/1076907264.db2.gz KTMDKTXBOMUPCE-HNNXBMFYSA-N 0 0 414.535 2.656 20 30 HFEDRN Cc1nc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)nn1-c1c(Cl)cccc1Cl ZINC000787693912 1076915246 /nfs/dbraw/zinc/91/52/46/1076915246.db2.gz YJAPQJDVDCKWLZ-JTQLQIEISA-N 0 0 422.272 2.990 20 30 HFEDRN CC(C)(C)[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(F)cc1F ZINC000787761220 1076929963 /nfs/dbraw/zinc/92/99/63/1076929963.db2.gz YSNQPKXMAGBPMG-QGZVFWFLSA-N 0 0 415.444 2.663 20 30 HFEDRN Cc1cc(C)nc(-n2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)c(C(C)C)n2)n1 ZINC000787721776 1076931485 /nfs/dbraw/zinc/93/14/85/1076931485.db2.gz OQCKNUUTIVDXAI-OAHLLOKOSA-N 0 0 410.478 2.510 20 30 HFEDRN C[C@@H](OC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(=O)NC1(C#N)CCC1 ZINC000787732455 1076934093 /nfs/dbraw/zinc/93/40/93/1076934093.db2.gz KFMVQWQPASYQJD-SNVBAGLBSA-N 0 0 418.247 2.811 20 30 HFEDRN C[C@H](OC(=O)c1ccc(F)c(I)c1)C(=O)NC1(C#N)CCC1 ZINC000787743808 1076938753 /nfs/dbraw/zinc/93/87/53/1076938753.db2.gz JFUIPQWVLNDDST-VIFPVBQESA-N 0 0 416.190 2.538 20 30 HFEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000787791599 1076947466 /nfs/dbraw/zinc/94/74/66/1076947466.db2.gz WDPQIBSGOZGIBZ-IWGBCORSSA-N 0 0 417.513 2.966 20 30 HFEDRN Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000787818297 1076952816 /nfs/dbraw/zinc/95/28/16/1076952816.db2.gz CZHQSHABQSAEND-CABCVRRESA-N 0 0 405.882 2.730 20 30 HFEDRN N#Cc1c(NC(=O)COC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)sc2c1CCCCC2 ZINC000787840076 1076959765 /nfs/dbraw/zinc/95/97/65/1076959765.db2.gz JRXIUJCCDWBMIS-CHWSQXEVSA-N 0 0 403.504 2.662 20 30 HFEDRN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000787846805 1076962902 /nfs/dbraw/zinc/96/29/02/1076962902.db2.gz 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HFEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000793071568 1078062529 /nfs/dbraw/zinc/06/25/29/1078062529.db2.gz HTXWLYVLQVAZAM-UHFFFAOYSA-N 0 0 419.378 2.902 20 30 HFEDRN COc1cccc(N2C[C@H](NC(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2=O)c1 ZINC000790560705 1078056380 /nfs/dbraw/zinc/05/63/80/1078056380.db2.gz WQXYEKWPKRWBKN-MRXNPFEDSA-N 0 0 402.372 2.987 20 30 HFEDRN CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NNc2ccccc2S(N)(=O)=O)on1 ZINC000793051513 1078056837 /nfs/dbraw/zinc/05/68/37/1078056837.db2.gz LGKAZGCEJDFAGH-UHFFFAOYSA-N 0 0 423.495 2.528 20 30 HFEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000793064567 1078060479 /nfs/dbraw/zinc/06/04/79/1078060479.db2.gz CHOORYPOCRMTBY-UHFFFAOYSA-N 0 0 414.412 2.545 20 30 HFEDRN CC(C)[C@@H]1C[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 ZINC000790584909 1078061793 /nfs/dbraw/zinc/06/17/93/1078061793.db2.gz ZRGUXCZGBNZNIC-KXBFYZLASA-N 0 0 411.527 2.768 20 30 HFEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 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C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)n1 ZINC000788914357 1077351783 /nfs/dbraw/zinc/35/17/83/1077351783.db2.gz FMDJPMVERZBKIN-SFHVURJKSA-N 0 0 423.517 2.562 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000788914693 1077351793 /nfs/dbraw/zinc/35/17/93/1077351793.db2.gz SGOVKPDMFJSYQZ-SFHVURJKSA-N 0 0 403.527 2.837 20 30 HFEDRN N#Cc1cccnc1OC1CCC(NS(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000788914988 1077353020 /nfs/dbraw/zinc/35/30/20/1077353020.db2.gz CWBXNPBDIYNGPN-UHFFFAOYSA-N 0 0 411.483 2.996 20 30 HFEDRN COCCNC(=O)CSc1ccccc1C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791306195 1077366761 /nfs/dbraw/zinc/36/67/61/1077366761.db2.gz CSDFVUPXWVOWKF-UHFFFAOYSA-N 0 0 402.447 2.909 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NCCc2nc(C(C)(C)C)cs2)n1 ZINC000788973766 1077366842 /nfs/dbraw/zinc/36/68/42/1077366842.db2.gz GWPMERMQKWPHBX-UHFFFAOYSA-N 0 0 403.552 2.671 20 30 HFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1cc(C)ccn1 ZINC000791282562 1077368982 /nfs/dbraw/zinc/36/89/82/1077368982.db2.gz JESZAMNYRFGGGT-KRWDZBQOSA-N 0 0 401.488 2.731 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000789005395 1077379077 /nfs/dbraw/zinc/37/90/77/1077379077.db2.gz BESSNRLZDWMEGN-QGZVFWFLSA-N 0 0 403.527 2.837 20 30 HFEDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=NC3CCCc4c[nH]nc43)nc2)C1 ZINC000788977353 1077381372 /nfs/dbraw/zinc/38/13/72/1077381372.db2.gz JMLFZYHAHZHDSA-OKILXGFUSA-N 0 0 402.524 2.624 20 30 HFEDRN CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(NC(C)=O)nc2)ccc1OC ZINC000789010012 1077383742 /nfs/dbraw/zinc/38/37/42/1077383742.db2.gz ZQJGOIMOLZVZFR-QGZVFWFLSA-N 0 0 411.462 2.729 20 30 HFEDRN CS(=O)(=O)N(CCOC(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 ZINC000791371708 1077385078 /nfs/dbraw/zinc/38/50/78/1077385078.db2.gz MKKNYHRNLMIVEF-UHFFFAOYSA-N 0 0 411.483 2.783 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC[C@H](C)OCc2ccccc2)cc1 ZINC000789016750 1077385432 /nfs/dbraw/zinc/38/54/32/1077385432.db2.gz DRMXYEXKVQTTJK-KRWDZBQOSA-N 0 0 401.484 2.750 20 30 HFEDRN COC(=O)C(C(=O)OC)c1cc(NCc2ccc(C#N)c(F)c2)ccc1[N+](=O)[O-] ZINC001170096109 1077388923 /nfs/dbraw/zinc/38/89/23/1077388923.db2.gz LQXZIYSMKQNXIP-UHFFFAOYSA-N 0 0 401.350 2.647 20 30 HFEDRN C=CCN(CCOC)C(=O)c1c(Cl)ccc(S(=O)(=O)CCOC)c1Cl ZINC000791351450 1077390990 /nfs/dbraw/zinc/39/09/90/1077390990.db2.gz KJGMHWMXHCBFQN-UHFFFAOYSA-N 0 0 410.319 2.688 20 30 HFEDRN Cc1cc(F)cc(-n2cc(C(=O)O[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)c1 ZINC000789059578 1077394066 /nfs/dbraw/zinc/39/40/66/1077394066.db2.gz TZFLUDAKPRQOJZ-HXUWFJFHSA-N 0 0 419.416 2.939 20 30 HFEDRN C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC001170096722 1077395677 /nfs/dbraw/zinc/39/56/77/1077395677.db2.gz ZVOHENYIMYIXSK-GOSISDBHSA-N 0 0 413.543 2.836 20 30 HFEDRN Cc1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nc1 ZINC000789052367 1077402441 /nfs/dbraw/zinc/40/24/41/1077402441.db2.gz TXVYXMHXZDZNKH-FCDQGJHFSA-N 0 0 415.519 2.867 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000789052094 1077402844 /nfs/dbraw/zinc/40/28/44/1077402844.db2.gz DVNDPBSMYSPOHU-GOSISDBHSA-N 0 0 406.490 2.621 20 30 HFEDRN C#CCCCS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000791422288 1077415022 /nfs/dbraw/zinc/41/50/22/1077415022.db2.gz CVIFCKHLNVRQMR-PBHICJAKSA-N 0 0 402.919 2.574 20 30 HFEDRN N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cnnn3-c3cccc(F)c3)C2=O)cc1 ZINC000789107130 1077415811 /nfs/dbraw/zinc/41/58/11/1077415811.db2.gz DINJMLMXDCTOLD-LJQANCHMSA-N 0 0 405.389 2.630 20 30 HFEDRN COCC1(CNC(=O)COc2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000791425826 1077416244 /nfs/dbraw/zinc/41/62/44/1077416244.db2.gz FILZCDUKLYUZNZ-UHFFFAOYSA-N 0 0 417.506 2.717 20 30 HFEDRN C[C@@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)NC(=O)NCc1ccccc1 ZINC000789117377 1077421537 /nfs/dbraw/zinc/42/15/37/1077421537.db2.gz QVZIMHKXCSPWBS-CQSZACIVSA-N 0 0 418.409 2.785 20 30 HFEDRN C[C@@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000789128115 1077426479 /nfs/dbraw/zinc/42/64/79/1077426479.db2.gz QRZQZNSHENLJFP-CYBMUJFWSA-N 0 0 416.393 2.744 20 30 HFEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccn(CC(F)F)n1 ZINC000789146016 1077433817 /nfs/dbraw/zinc/43/38/17/1077433817.db2.gz ALXAOHXLBWGSBU-ZDUSSCGKSA-N 0 0 406.389 2.649 20 30 HFEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C ZINC000791464945 1077437476 /nfs/dbraw/zinc/43/74/76/1077437476.db2.gz VDXOGXBWDDTDAW-GJZGRUSLSA-N 0 0 415.519 2.771 20 30 HFEDRN COc1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc(Cl)c1OCC(N)=O ZINC000772731979 1077447551 /nfs/dbraw/zinc/44/75/51/1077447551.db2.gz GJNVLPZEKCRXLX-LLVKDONJSA-N 0 0 408.863 2.813 20 30 HFEDRN N#Cc1ccc(CNC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)nc1 ZINC000789218855 1077448038 /nfs/dbraw/zinc/44/80/38/1077448038.db2.gz GZBBYRAWLBAMGK-UHFFFAOYSA-N 0 0 405.483 2.836 20 30 HFEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1nc(Cl)cs1 ZINC000789220282 1077448743 /nfs/dbraw/zinc/44/87/43/1077448743.db2.gz WGKAJBSCPSKUIQ-UHFFFAOYSA-N 0 0 410.883 2.919 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NC2CCC(O)(c3ccccc3)CC2)n1 ZINC000789185980 1077451235 /nfs/dbraw/zinc/45/12/35/1077451235.db2.gz AFPOXJAVGJARRN-UHFFFAOYSA-N 0 0 410.518 2.505 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCOc3ccc(OCC)cc32)n1 ZINC000789205045 1077461582 /nfs/dbraw/zinc/46/15/82/1077461582.db2.gz CHBMEPHAQRONIO-FQEVSTJZSA-N 0 0 412.490 2.597 20 30 HFEDRN C=CCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000789209979 1077463565 /nfs/dbraw/zinc/46/35/65/1077463565.db2.gz IKPNCMNXMPEINX-HNNXBMFYSA-N 0 0 402.491 2.870 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000746789833 1077464972 /nfs/dbraw/zinc/46/49/72/1077464972.db2.gz ISZKQTVJLAKIJQ-HNNXBMFYSA-N 0 0 413.424 2.558 20 30 HFEDRN COc1cc(CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc(OC)c1O ZINC000789251277 1077473946 /nfs/dbraw/zinc/47/39/46/1077473946.db2.gz LGBUWSXDAMEFBJ-HVPFBLEYSA-N 0 0 418.490 2.814 20 30 HFEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 ZINC000791551826 1077475298 /nfs/dbraw/zinc/47/52/98/1077475298.db2.gz FRXBOJYTPAIWGS-GOSISDBHSA-N 0 0 413.271 2.513 20 30 HFEDRN N#C[C@@H](COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)Cc1cccs1 ZINC000772731695 1077478976 /nfs/dbraw/zinc/47/89/76/1077478976.db2.gz DSNFRLOWOFHXCQ-DZGCQCFKSA-N 0 0 410.542 2.888 20 30 HFEDRN C=CCC1(C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000791564432 1077481651 /nfs/dbraw/zinc/48/16/51/1077481651.db2.gz MOIGCYHIXLCXGO-HNNXBMFYSA-N 0 0 411.545 2.553 20 30 HFEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnn(-c2ccccc2Cl)c1CC ZINC000791587002 1077492538 /nfs/dbraw/zinc/49/25/38/1077492538.db2.gz QHKLCJRXAPUKCY-LBPRGKRZSA-N 0 0 404.854 2.645 20 30 HFEDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccnn3-c3ccc(C#N)cc3)C2)c1 ZINC000791591934 1077495101 /nfs/dbraw/zinc/49/51/01/1077495101.db2.gz XJXGKJKHZGAOAX-FQEVSTJZSA-N 0 0 417.425 2.893 20 30 HFEDRN Cc1oc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC000772734527 1077495709 /nfs/dbraw/zinc/49/57/09/1077495709.db2.gz IIUUHDJUTNZIEU-CQSZACIVSA-N 0 0 408.501 2.973 20 30 HFEDRN C[C@H](OC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)NC1(C#N)CCCCC1 ZINC000789286372 1077496780 /nfs/dbraw/zinc/49/67/80/1077496780.db2.gz ODRVGNNYOXDCTC-GJZGRUSLSA-N 0 0 405.495 2.518 20 30 HFEDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000789287523 1077497366 /nfs/dbraw/zinc/49/73/66/1077497366.db2.gz RABRRKGSXBDZES-HNNXBMFYSA-N 0 0 410.430 2.908 20 30 HFEDRN C#CCN(C(=O)Nc1cc(Br)c(F)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000789351079 1077512535 /nfs/dbraw/zinc/51/25/35/1077512535.db2.gz OYMZLIDHGWDSEH-NSHDSACASA-N 0 0 403.273 2.551 20 30 HFEDRN C#CCn1ccc(CN(CCOC)CC(=O)N2CCc3sccc3[C@H]2CC)n1 ZINC000789321190 1077518254 /nfs/dbraw/zinc/51/82/54/1077518254.db2.gz TVXIWDBQUKOBHT-LJQANCHMSA-N 0 0 400.548 2.562 20 30 HFEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791626707 1077518499 /nfs/dbraw/zinc/51/84/99/1077518499.db2.gz JUHJPSZGKQXOKP-UHFFFAOYSA-N 0 0 400.347 2.768 20 30 HFEDRN C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)n1 ZINC000789326699 1077521198 /nfs/dbraw/zinc/52/11/98/1077521198.db2.gz ZMKHEVSQXLBIHH-GOSISDBHSA-N 0 0 409.534 2.847 20 30 HFEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 ZINC000789329048 1077522235 /nfs/dbraw/zinc/52/22/35/1077522235.db2.gz KQHPKNDAIAJCFY-UHFFFAOYSA-N 0 0 418.501 2.908 20 30 HFEDRN C#CCn1ccc(CN(CC)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)n1 ZINC000789328947 1077522912 /nfs/dbraw/zinc/52/29/12/1077522912.db2.gz FSYAYBPDAFYWMC-LJQANCHMSA-N 0 0 405.458 2.902 20 30 HFEDRN C#CCn1ccc(CN(CC)CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000789329535 1077523153 /nfs/dbraw/zinc/52/31/53/1077523153.db2.gz MRGRQOSGIVMIBD-UHFFFAOYSA-N 0 0 421.589 2.806 20 30 HFEDRN C#CCn1ccc(CN(CC)CC(=O)Nc2ccccc2I)n1 ZINC000789332285 1077525454 /nfs/dbraw/zinc/52/54/54/1077525454.db2.gz PMEYUSUUWOALET-UHFFFAOYSA-N 0 0 422.270 2.582 20 30 HFEDRN 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CC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000791774501 1077547821 /nfs/dbraw/zinc/54/78/21/1077547821.db2.gz XOSVHVPIUNCWPH-CRAIPNDOSA-N 0 0 405.520 2.945 20 30 HFEDRN C=CCC[C@@H](C)OC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O ZINC000772781696 1077554764 /nfs/dbraw/zinc/55/47/64/1077554764.db2.gz KPRPPOCCNOXGLK-OAHLLOKOSA-N 0 0 422.503 2.667 20 30 HFEDRN COc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1S(=O)(=O)N(C)C ZINC000772737263 1077560534 /nfs/dbraw/zinc/56/05/34/1077560534.db2.gz YZCJFTBVCWKLGP-CYBMUJFWSA-N 0 0 408.501 2.546 20 30 HFEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1OC ZINC000789405047 1077561810 /nfs/dbraw/zinc/56/18/10/1077561810.db2.gz VSRKPXZEBZKRGB-QZTJIDSGSA-N 0 0 410.426 2.833 20 30 HFEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000746806933 1077565376 /nfs/dbraw/zinc/56/53/76/1077565376.db2.gz KMWCNYMQJRDICY-UHFFFAOYSA-N 0 0 415.368 2.910 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 ZINC000746817584 1077567087 /nfs/dbraw/zinc/56/70/87/1077567087.db2.gz VLEUXWJLZOWHHQ-UHFFFAOYSA-N 0 0 424.476 2.828 20 30 HFEDRN Cc1cccc(CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 ZINC000791782205 1077568045 /nfs/dbraw/zinc/56/80/45/1077568045.db2.gz IOXMFRHPBUQOLO-CLCOLTQESA-N 0 0 415.519 2.567 20 30 HFEDRN CO[C@]1(C)CCCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000791784081 1077568905 /nfs/dbraw/zinc/56/89/05/1077568905.db2.gz RLJPLHFDUIMQFV-JUJXNAJKSA-N 0 0 408.524 2.532 20 30 HFEDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432552 1077570133 /nfs/dbraw/zinc/57/01/33/1077570133.db2.gz IMEUTBVHZZODFI-HUUCEWRRSA-N 0 0 419.428 2.547 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000789478020 1077570428 /nfs/dbraw/zinc/57/04/28/1077570428.db2.gz BKUMCOXOJPQCDO-OAHLLOKOSA-N 0 0 417.510 2.569 20 30 HFEDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000746818464 1077571694 /nfs/dbraw/zinc/57/16/94/1077571694.db2.gz 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C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000789797258 1077802624 /nfs/dbraw/zinc/80/26/24/1077802624.db2.gz RXQAVMWWPAIEHW-MRXNPFEDSA-N 0 0 421.501 2.855 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CCCCC2)cc1C#N ZINC000792333349 1077823330 /nfs/dbraw/zinc/82/33/30/1077823330.db2.gz JGCXVYVCURDZNG-OAQYLSRUSA-N 0 0 416.478 2.513 20 30 HFEDRN COC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000789812682 1077823133 /nfs/dbraw/zinc/82/31/33/1077823133.db2.gz MGRXFVLZNPDZCX-ACRUOGEOSA-N 0 0 407.470 2.591 20 30 HFEDRN O=C(c1ccnn1CC(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000789874748 1077832206 /nfs/dbraw/zinc/83/22/06/1077832206.db2.gz LEMCRZPBNDBXGH-UHFFFAOYSA-N 0 0 410.293 2.806 20 30 HFEDRN CCn1cc([C@H](O)CN(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376757 1077843049 /nfs/dbraw/zinc/84/30/49/1077843049.db2.gz MUSPEFPLNJSZMO-JOCHJYFZSA-N 0 0 403.486 2.949 20 30 HFEDRN CCn1cc([C@H](O)CN(CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cn1 ZINC000792377181 1077843647 /nfs/dbraw/zinc/84/36/47/1077843647.db2.gz RBKVCJFHRYAVHK-OAQYLSRUSA-N 0 0 409.534 2.781 20 30 HFEDRN CS(=O)(=O)CCOc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000789921850 1077849018 /nfs/dbraw/zinc/84/90/18/1077849018.db2.gz MTRQWFLIUKFWCY-UHFFFAOYSA-N 0 0 411.439 2.889 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000792453752 1077856326 /nfs/dbraw/zinc/85/63/26/1077856326.db2.gz OYJHCSLCCXPQSS-LJQANCHMSA-N 0 0 403.482 2.675 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000792453541 1077856541 /nfs/dbraw/zinc/85/65/41/1077856541.db2.gz GOAVCUBWQKSNKY-KRWDZBQOSA-N 0 0 404.532 2.791 20 30 HFEDRN Cn1ccnc1[C@](O)(CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(F)(F)F ZINC000789905737 1077856846 /nfs/dbraw/zinc/85/68/46/1077856846.db2.gz OPRJWEHYLYTQRD-GOSISDBHSA-N 0 0 419.363 2.517 20 30 HFEDRN Cn1ccnc1[C@@](O)(CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(F)(F)F ZINC000789905738 1077856911 /nfs/dbraw/zinc/85/69/11/1077856911.db2.gz OPRJWEHYLYTQRD-SFHVURJKSA-N 0 0 419.363 2.517 20 30 HFEDRN C[C@@H](OC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000792457256 1077857566 /nfs/dbraw/zinc/85/75/66/1077857566.db2.gz XSGJZULTMHIZDZ-CQSZACIVSA-N 0 0 418.446 2.721 20 30 HFEDRN C#CCN(C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000792459448 1077858044 /nfs/dbraw/zinc/85/80/44/1077858044.db2.gz OKYFNYUPPVODLX-SFHVURJKSA-N 0 0 414.531 2.958 20 30 HFEDRN CCOC(=O)CON=C(C(=O)N(C)Cc1csc2ccccc12)c1ccn[nH]1 ZINC000789957315 1077868315 /nfs/dbraw/zinc/86/83/15/1077868315.db2.gz PBLJQCJIVHSSDT-UHFFFAOYSA-N 0 0 400.460 2.567 20 30 HFEDRN CCOC(=O)CON=C(C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1)c1cc[nH]n1 ZINC000789959228 1077869683 /nfs/dbraw/zinc/86/96/83/1077869683.db2.gz IEFBZOQXGFMMFH-UHFFFAOYSA-N 0 0 423.429 2.828 20 30 HFEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@H](C)c2nnnn2C2CC2)c1C#N ZINC000792470968 1077871596 /nfs/dbraw/zinc/87/15/96/1077871596.db2.gz XLXOIPOLOWTWEP-CYBMUJFWSA-N 0 0 422.468 2.716 20 30 HFEDRN 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CCN(C)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)cn1 ZINC000789992559 1077892801 /nfs/dbraw/zinc/89/28/01/1077892801.db2.gz WKTVYEPWFJYXEC-UHFFFAOYSA-N 0 0 424.456 2.541 20 30 HFEDRN COc1ccc(N=c2scc(-c3cnn(C)n3)n2N=Cc2ccc(F)nc2C)cn1 ZINC000789992332 1077892867 /nfs/dbraw/zinc/89/28/67/1077892867.db2.gz RPAZTMHULNVJBY-UHFFFAOYSA-N 0 0 424.465 2.706 20 30 HFEDRN Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2ccccc2[N+](=O)[O-])n1 ZINC000789992130 1077893141 /nfs/dbraw/zinc/89/31/41/1077893141.db2.gz UNXJFPUDMAPERJ-UHFFFAOYSA-N 0 0 411.369 2.599 20 30 HFEDRN CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)OC(C)(C)O1 ZINC001170208760 1077907682 /nfs/dbraw/zinc/90/76/82/1077907682.db2.gz MJTHCYPWGNKNPA-OLZOCXBDSA-N 0 0 406.439 2.915 20 30 HFEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 ZINC000792586303 1077921929 /nfs/dbraw/zinc/92/19/29/1077921929.db2.gz JVIJWJVLWHACIR-IBGZPJMESA-N 0 0 406.877 2.943 20 30 HFEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)c2cccc3n[nH]nc32)c1C#N 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SSTGBKNQEOYMHW-UHFFFAOYSA-N 0 0 408.477 2.663 20 30 HFEDRN N#Cc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 ZINC000772807685 1077933379 /nfs/dbraw/zinc/93/33/79/1077933379.db2.gz UYQLTOAOFQJDEH-YVMONPNESA-N 0 0 400.431 2.614 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)n1 ZINC000790107469 1077938347 /nfs/dbraw/zinc/93/83/47/1077938347.db2.gz DGLNLVNZRKPCKL-UHFFFAOYSA-N 0 0 407.474 2.512 20 30 HFEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)cc1C ZINC000790112940 1077941479 /nfs/dbraw/zinc/94/14/79/1077941479.db2.gz DLJOLSSMIVINOW-UHFFFAOYSA-N 0 0 419.481 2.635 20 30 HFEDRN C=CCOC(=O)CC[C@H](N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OCC=C ZINC001170317249 1077941956 /nfs/dbraw/zinc/94/19/56/1077941956.db2.gz DEDMHYMEKNGWIY-YJBOKZPZSA-N 0 0 420.462 2.731 20 30 HFEDRN Cc1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)ccc1F ZINC000790115408 1077942932 /nfs/dbraw/zinc/94/29/32/1077942932.db2.gz VKWKFNURMMFNBF-UHFFFAOYSA-N 0 0 407.445 2.766 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000790115451 1077942995 /nfs/dbraw/zinc/94/29/95/1077942995.db2.gz QPESIMBLVMBZCZ-UHFFFAOYSA-N 0 0 406.530 2.736 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)n1 ZINC000790117871 1077943819 /nfs/dbraw/zinc/94/38/19/1077943819.db2.gz HCAKULAPMGZCQL-UHFFFAOYSA-N 0 0 414.469 2.833 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)n1 ZINC000790118233 1077944252 /nfs/dbraw/zinc/94/42/52/1077944252.db2.gz QSAMHNNCKCMKGS-GMAHTHKFSA-N 0 0 420.513 2.626 20 30 HFEDRN CCN(c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1)C(C)C ZINC000790088971 1077945602 /nfs/dbraw/zinc/94/56/02/1077945602.db2.gz BOYCTVDQLINGEP-UHFFFAOYSA-N 0 0 400.504 2.710 20 30 HFEDRN CCO[C@H](CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 ZINC000746880202 1077949191 /nfs/dbraw/zinc/94/91/91/1077949191.db2.gz OLXYZNHSLALTOF-GOSISDBHSA-N 0 0 421.563 2.607 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)n1 ZINC000790103974 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HFEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c(F)c1 ZINC000807413901 1080611851 /nfs/dbraw/zinc/61/18/51/1080611851.db2.gz FNYIOZRVTBMLBW-INIZCTEOSA-N 0 0 416.453 2.686 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2nc(Br)sc2C2CC2)n1 ZINC000807434975 1080613857 /nfs/dbraw/zinc/61/38/57/1080613857.db2.gz NAXYDERANNBMFZ-UHFFFAOYSA-N 0 0 423.336 2.902 20 30 HFEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(F)(F)Br ZINC000807445925 1080624336 /nfs/dbraw/zinc/62/43/36/1080624336.db2.gz DAIOCQJYCKCTNX-VIFPVBQESA-N 0 0 406.252 2.981 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC ZINC000807468302 1080644290 /nfs/dbraw/zinc/64/42/90/1080644290.db2.gz RDUCQYJAOBPHPG-UGKGYDQZSA-N 0 0 402.498 2.759 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000807467803 1080645151 /nfs/dbraw/zinc/64/51/51/1080645151.db2.gz HRFCJVMSOPSSER-OAQYLSRUSA-N 0 0 401.514 2.796 20 30 HFEDRN C=CCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000807443608 1080664717 /nfs/dbraw/zinc/66/47/17/1080664717.db2.gz PRWWCKBXCNXFEL-UHFFFAOYSA-N 0 0 415.943 2.782 20 30 HFEDRN C=CCCCCCCNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000807443713 1080664791 /nfs/dbraw/zinc/66/47/91/1080664791.db2.gz SOFYUNLZNMOEJB-UHFFFAOYSA-N 0 0 401.248 2.877 20 30 HFEDRN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000807487468 1080671427 /nfs/dbraw/zinc/67/14/27/1080671427.db2.gz XMTTZKUDVYVAQX-HNNXBMFYSA-N 0 0 412.314 2.753 20 30 HFEDRN CN(CC(F)(F)Br)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000807529906 1080742241 /nfs/dbraw/zinc/74/22/41/1080742241.db2.gz JSIIFKGJNVWBFH-UHFFFAOYSA-N 0 0 404.211 2.754 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)C(C)(C)C ZINC000807536357 1080750201 /nfs/dbraw/zinc/75/02/01/1080750201.db2.gz OJNPDGOZXLRVOJ-IBGZPJMESA-N 0 0 407.470 2.807 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)C(C)(C)C ZINC000807535554 1080750688 /nfs/dbraw/zinc/75/06/88/1080750688.db2.gz ISLMZKFLZJVXQJ-LJQANCHMSA-N 0 0 409.461 2.858 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br)C(C)(C)C ZINC000807535719 1080750829 /nfs/dbraw/zinc/75/08/29/1080750829.db2.gz DCOOFOKXOYGALI-HNNXBMFYSA-N 0 0 417.307 2.797 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C(C)(C)C ZINC000807536551 1080751878 /nfs/dbraw/zinc/75/18/78/1080751878.db2.gz UFHPITMZFOGLPO-HXUWFJFHSA-N 0 0 403.482 2.992 20 30 HFEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000807587227 1080798301 /nfs/dbraw/zinc/79/83/01/1080798301.db2.gz GUGMGSMMLOCYJQ-OAQYLSRUSA-N 0 0 405.498 2.821 20 30 HFEDRN Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000807557732 1080811190 /nfs/dbraw/zinc/81/11/90/1080811190.db2.gz HVGBKYMZMKAEPQ-UHFFFAOYSA-N 0 0 412.877 2.601 20 30 HFEDRN Cc1ncc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000328603694 569417039 /nfs/dbraw/zinc/41/70/39/569417039.db2.gz GXMNXVJKJAHJHX-PGRDOPGGSA-N 0 0 418.501 2.862 20 30 HFEDRN COCCn1cc([C@H]2[C@H](CNC(=O)c3cccc(C)n3)CC(=O)N2C(C)(C)C)cn1 ZINC000328603859 569417105 /nfs/dbraw/zinc/41/71/05/569417105.db2.gz HHBBNWJVVMFMFM-OXJNMPFZSA-N 0 0 413.522 2.926 20 30 HFEDRN COCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2nc3cc(OC)ccc3n2C)cn1 ZINC000328604995 569417841 /nfs/dbraw/zinc/41/78/41/569417841.db2.gz LTHOUKGQEUEGIM-OXJNMPFZSA-N 0 0 413.478 2.659 20 30 HFEDRN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cn1 ZINC000328607966 569419307 /nfs/dbraw/zinc/41/93/07/569419307.db2.gz XUGHHJNVRTUEEH-DHUIEDIVSA-N 0 0 412.490 2.844 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)c1 ZINC001164678500 719558537 /nfs/dbraw/zinc/55/85/37/719558537.db2.gz ZBKKNSMQXQVSLP-OAHLLOKOSA-N 0 0 422.863 2.783 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001164676647 719558602 /nfs/dbraw/zinc/55/86/02/719558602.db2.gz DLYMGKJSBKJOCU-HNNXBMFYSA-N 0 0 422.863 2.783 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001164676863 719559716 /nfs/dbraw/zinc/55/97/16/719559716.db2.gz HMYFCSCORQMWER-INIZCTEOSA-N 0 0 422.863 2.783 20 30 HFEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)nc1Cl ZINC001164849386 720809503 /nfs/dbraw/zinc/80/95/03/720809503.db2.gz GNJHILOPYTUUQR-HUUCEWRRSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@H]3C2)cc(Cl)n1 ZINC001164852349 720810991 /nfs/dbraw/zinc/81/09/91/720810991.db2.gz NFVOCSZUCPCYTK-BBRMVZONSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)c1 ZINC001164762890 721006263 /nfs/dbraw/zinc/00/62/63/721006263.db2.gz WOZPSFFQVGDFGG-JYJNAYRXSA-N 0 0 406.820 2.967 20 30 HFEDRN COc1ccnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1C#N ZINC001164779243 721345514 /nfs/dbraw/zinc/34/55/14/721345514.db2.gz ROCPLGZCAHLWTN-QFIPXVFZSA-N 0 0 411.506 2.686 20 30 HFEDRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164886244 721375313 /nfs/dbraw/zinc/37/53/13/721375313.db2.gz LWDXUQUMRIEBMG-MRXNPFEDSA-N 0 0 418.897 2.936 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@@]2(CC(=O)NCC2CC2)C1 ZINC001164894817 721482936 /nfs/dbraw/zinc/48/29/36/721482936.db2.gz JDECHYDOFGUQAA-RDTXWAMCSA-N 0 0 410.852 2.521 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001165011759 721705280 /nfs/dbraw/zinc/70/52/80/721705280.db2.gz YARIWVOWHRAJEN-UHFFFAOYSA-N 0 0 409.872 2.994 20 30 HFEDRN Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)c(Cl)cc2C#N)CC3)n1 ZINC001164933462 721905441 /nfs/dbraw/zinc/90/54/41/721905441.db2.gz LUVPQPBCGOSLKU-UHFFFAOYSA-N 0 0 421.332 2.865 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]21 ZINC001164943349 721961656 /nfs/dbraw/zinc/96/16/56/721961656.db2.gz FQZAKWPAVFBIAG-IRXDYDNUSA-N 0 0 408.289 2.955 20 30 HFEDRN Cc1nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c(Cl)cc1C#N ZINC001164946432 721981341 /nfs/dbraw/zinc/98/13/41/721981341.db2.gz FOSFUXISTBKPBA-UHFFFAOYSA-N 0 0 409.921 2.886 20 30 HFEDRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C2)C1 ZINC001164955736 722009009 /nfs/dbraw/zinc/00/90/09/722009009.db2.gz YEGBQALLNKVDBG-SUMWQHHRSA-N 0 0 413.856 2.551 20 30 HFEDRN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN(CCc2ccccn2)CC1 ZINC001165055940 722014764 /nfs/dbraw/zinc/01/47/64/722014764.db2.gz NYOBHNGCTCXMDP-UHFFFAOYSA-N 0 0 422.605 2.857 20 30 HFEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCO2 ZINC001164976007 722168982 /nfs/dbraw/zinc/16/89/82/722168982.db2.gz IZTHOGIMUNVKPG-FZKQIMNGSA-N 0 0 415.868 2.957 20 30 HFEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCO2 ZINC001164976011 722169062 /nfs/dbraw/zinc/16/90/62/722169062.db2.gz IZTHOGIMUNVKPG-UGSOOPFHSA-N 0 0 415.868 2.957 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C#N)C2 ZINC001165003685 722259929 /nfs/dbraw/zinc/25/99/29/722259929.db2.gz JWHCTNYYBZYEMN-FQEVSTJZSA-N 0 0 417.847 2.812 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)[C@@H](C2CCCC2)C1 ZINC000792999701 1078044670 /nfs/dbraw/zinc/04/46/70/1078044670.db2.gz MZKSZUGNHATXRX-CQSZACIVSA-N 0 0 415.498 2.647 20 30 HFEDRN O=C(NCCNC(=O)N1CC=C(c2cccc(Cl)c2)CC1)C1N=CC=CC1=O ZINC000793005905 1078046143 /nfs/dbraw/zinc/04/61/43/1078046143.db2.gz WZRPLCXACUEKAD-HNENSFHCSA-N 0 0 400.866 2.665 20 30 HFEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000793018903 1078050915 /nfs/dbraw/zinc/05/09/15/1078050915.db2.gz YFMAIQBCJKTRSJ-UHFFFAOYSA-N 0 0 406.891 2.663 20 30 HFEDRN CSCCNC(=S)NN=Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000793040923 1078054048 /nfs/dbraw/zinc/05/40/48/1078054048.db2.gz YYZZGZDKQDGSMH-UHFFFAOYSA-N 0 0 401.558 2.595 20 30 HFEDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746922233 1078055750 /nfs/dbraw/zinc/05/57/50/1078055750.db2.gz GMDCITUAXLKBEK-LJQANCHMSA-N 0 0 407.470 2.887 20 30 HFEDRN COc1cccc(N2C[C@@H](NC(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2=O)c1 ZINC000790560699 1078056295 /nfs/dbraw/zinc/05/62/95/1078056295.db2.gz WQXYEKWPKRWBKN-INIZCTEOSA-N 0 0 402.372 2.987 20 30 HFEDRN C=CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000790575756 1078067034 /nfs/dbraw/zinc/06/70/34/1078067034.db2.gz FURBMZLDPYTVSF-OKILXGFUSA-N 0 0 400.928 2.834 20 30 HFEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCc3ccc(Br)cc3C2)cc1 ZINC000793094148 1078073445 /nfs/dbraw/zinc/07/34/45/1078073445.db2.gz XQIVRUKOGNJCRO-UHFFFAOYSA-N 0 0 413.271 2.985 20 30 HFEDRN C#C[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000793060765 1078069341 /nfs/dbraw/zinc/06/93/41/1078069341.db2.gz DGGWSVMCLKRZBT-CZUORRHYSA-N 0 0 411.287 2.577 20 30 HFEDRN C#C[C@H](NC(=O)NCc1ccc(I)cc1Cl)[C@H]1CCCO1 ZINC000793061644 1078069893 /nfs/dbraw/zinc/06/98/93/1078069893.db2.gz LRSCNBCVLPJRDX-UONOGXRCSA-N 0 0 418.662 2.925 20 30 HFEDRN C=CC[C@]1(C(=O)NCCS(=O)(=O)C(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC000790635131 1078070151 /nfs/dbraw/zinc/07/01/51/1078070151.db2.gz SBOIZFRAILFTOI-LJQANCHMSA-N 0 0 402.557 2.662 20 30 HFEDRN CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000793122514 1078071012 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Cn1cncc1CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000793118931 1078083899 /nfs/dbraw/zinc/08/38/99/1078083899.db2.gz UWPKKYKSNIEGQI-FCDQGJHFSA-N 0 0 417.535 2.584 20 30 HFEDRN COc1cc(C=NNCc2c(Cl)cccc2Cl)cc(OC)c1OCC(N)=O ZINC000793118128 1078083996 /nfs/dbraw/zinc/08/39/96/1078083996.db2.gz UCSMBQXAOPIQQC-UHFFFAOYSA-N 0 0 412.273 2.998 20 30 HFEDRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000790675740 1078087630 /nfs/dbraw/zinc/08/76/30/1078087630.db2.gz DEFIRYLXABEVPP-UHFFFAOYSA-N 0 0 422.428 2.944 20 30 HFEDRN C#CCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000793154654 1078091979 /nfs/dbraw/zinc/09/19/79/1078091979.db2.gz RFFMTGBSZUKECF-MRXNPFEDSA-N 0 0 406.504 2.605 20 30 HFEDRN C=CC[C@]1(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790703662 1078100841 /nfs/dbraw/zinc/10/08/41/1078100841.db2.gz SSFVLHWRUTYIOS-OPAMFIHVSA-N 0 0 424.538 2.901 20 30 HFEDRN CN(C)S(=O)(=O)c1ccccc1N=NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000793182410 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CC(C)Cc1ncc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000772845800 1079501137 /nfs/dbraw/zinc/50/11/37/1079501137.db2.gz TZAUTXWOWBCSLE-UHFFFAOYSA-N 0 0 408.549 2.809 20 30 HFEDRN N#CC1(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC000787371614 1076778113 /nfs/dbraw/zinc/77/81/13/1076778113.db2.gz LZBNCGXAOCMTNB-UHFFFAOYSA-N 0 0 405.454 2.714 20 30 HFEDRN C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000787347617 1076789350 /nfs/dbraw/zinc/78/93/50/1076789350.db2.gz FRTDTFAEIPWYLC-JXFKEZNVSA-N 0 0 407.470 2.649 20 30 HFEDRN C[C@H](NC(=O)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(C#N)cc1 ZINC000787348260 1076790211 /nfs/dbraw/zinc/79/02/11/1076790211.db2.gz ZYTRZCGNVRKPMP-HNNXBMFYSA-N 0 0 414.506 2.641 20 30 HFEDRN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000787349698 1076790781 /nfs/dbraw/zinc/79/07/81/1076790781.db2.gz MJKFARFOTHOTBP-RLFYNMQTSA-N 0 0 414.506 2.640 20 30 HFEDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 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C[C@@H](OC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)C(=O)NC1(C#N)CCC1 ZINC000787677190 1076890870 /nfs/dbraw/zinc/89/08/70/1076890870.db2.gz FDZJGFUUOKIYLN-GFCCVEGCSA-N 0 0 413.865 2.906 20 30 HFEDRN COc1ccc(-c2noc(CCCC(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000787641484 1076893121 /nfs/dbraw/zinc/89/31/21/1076893121.db2.gz RJXYPFXRVOVTEV-AWEZNQCLSA-N 0 0 412.446 2.562 20 30 HFEDRN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000787648343 1076896602 /nfs/dbraw/zinc/89/66/02/1076896602.db2.gz FFIYJWDRJGWCSG-KRWDZBQOSA-N 0 0 406.833 2.535 20 30 HFEDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)C2)c1 ZINC000787655629 1076899883 /nfs/dbraw/zinc/89/98/83/1076899883.db2.gz QBTIVOIMQUUSGG-MSOLQXFVSA-N 0 0 411.502 2.650 20 30 HFEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)C2)c1 ZINC000787655643 1076899924 /nfs/dbraw/zinc/89/99/24/1076899924.db2.gz QBTIVOIMQUUSGG-ZWKOTPCHSA-N 0 0 411.502 2.650 20 30 HFEDRN 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COc1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000787862454 1076985223 /nfs/dbraw/zinc/98/52/23/1076985223.db2.gz JWDVUKJHYSJICX-GFCCVEGCSA-N 0 0 403.385 2.662 20 30 HFEDRN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc(Cl)cn2)CC1 ZINC000787909892 1076991802 /nfs/dbraw/zinc/99/18/02/1076991802.db2.gz KTITXTBELGYQEC-OAHLLOKOSA-N 0 0 420.698 2.915 20 30 HFEDRN COc1ccc(CNC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1C#N ZINC000746714577 1077002340 /nfs/dbraw/zinc/00/23/40/1077002340.db2.gz AXLYSUAIXSWKNM-UHFFFAOYSA-N 0 0 420.513 2.990 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000787896333 1077002898 /nfs/dbraw/zinc/00/28/98/1077002898.db2.gz QMFMIVNWXZDOQT-CHWSQXEVSA-N 0 0 419.197 2.703 20 30 HFEDRN Cn1ccnc1[C@@](O)(CCNc1cc(Br)cnc1C#N)C(F)(F)F ZINC000787897782 1077003862 /nfs/dbraw/zinc/00/38/62/1077003862.db2.gz SDDUMGLMNZEVPU-ZDUSSCGKSA-N 0 0 404.190 2.701 20 30 HFEDRN COc1ccc(OC)c2c1CN(C(=O)c1c(C)oc(-n3cccc3)c1C#N)C[C@@H]2O ZINC000787949347 1077006104 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CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000789401393 1077560294 /nfs/dbraw/zinc/56/02/94/1077560294.db2.gz DKKUZZMDZCBJFU-OAHLLOKOSA-N 0 0 422.407 2.922 20 30 HFEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2CCc3ccccc3C2=O)cc1Cl ZINC000789405345 1077562675 /nfs/dbraw/zinc/56/26/75/1077562675.db2.gz XKWNSMZKWVOEHU-MRXNPFEDSA-N 0 0 411.845 2.694 20 30 HFEDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)C1 ZINC000789432550 1077570172 /nfs/dbraw/zinc/57/01/72/1077570172.db2.gz IMEUTBVHZZODFI-GJZGRUSLSA-N 0 0 419.428 2.547 20 30 HFEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000789477537 1077578668 /nfs/dbraw/zinc/57/86/68/1077578668.db2.gz DTYJIEHQRFWTPZ-OAHLLOKOSA-N 0 0 422.407 2.922 20 30 HFEDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 ZINC000789455641 1077581116 /nfs/dbraw/zinc/58/11/16/1077581116.db2.gz WIMOMDTUNIZWGC-UHFFFAOYSA-N 0 0 407.430 2.881 20 30 HFEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000791850500 1077583593 /nfs/dbraw/zinc/58/35/93/1077583593.db2.gz PSBJLWCMWTYTFY-UHFFFAOYSA-N 0 0 403.504 2.503 20 30 HFEDRN C=CCc1cc(OC)cc(CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000789469572 1077585589 /nfs/dbraw/zinc/58/55/89/1077585589.db2.gz UFLGMHKVCQNUCM-UHFFFAOYSA-N 0 0 416.543 2.938 20 30 HFEDRN COc1cc(C(C)=NNC(=S)NCc2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000747047060 1077586289 /nfs/dbraw/zinc/58/62/89/1077586289.db2.gz PNYWHISHTKSDQY-UHFFFAOYSA-N 0 0 409.508 2.626 20 30 HFEDRN Cc1cccc2c1ncn(CC(=O)O[C@H]1CCCN(c3ccc(F)cc3C#N)C1)c2=O ZINC000789472657 1077586414 /nfs/dbraw/zinc/58/64/14/1077586414.db2.gz BLHHIZYLONNPMB-SFHVURJKSA-N 0 0 420.444 2.928 20 30 HFEDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000789489092 1077591548 /nfs/dbraw/zinc/59/15/48/1077591548.db2.gz UWEWQBZXWLRHBX-ZWKOTPCHSA-N 0 0 407.536 2.706 20 30 HFEDRN Cc1cccc2c1OCC[C@H]2OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000789496062 1077595176 /nfs/dbraw/zinc/59/51/76/1077595176.db2.gz 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ZINC000791989803 1077626353 /nfs/dbraw/zinc/62/63/53/1077626353.db2.gz BKNVMXOMWMIMME-HNNXBMFYSA-N 0 0 414.483 2.757 20 30 HFEDRN O=C(OCC#Cc1ccccc1Cl)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000747053558 1077657328 /nfs/dbraw/zinc/65/73/28/1077657328.db2.gz MQSHLDGVNSTGIR-HKUYNNGSSA-N 0 0 401.821 2.649 20 30 HFEDRN CC1(C)Cc2cccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2O1 ZINC000789583145 1077666512 /nfs/dbraw/zinc/66/65/12/1077666512.db2.gz VGNPIXFTLWMSRW-IBGZPJMESA-N 0 0 405.454 2.810 20 30 HFEDRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc12 ZINC000792108299 1077700298 /nfs/dbraw/zinc/70/02/98/1077700298.db2.gz LNPCNTZDEBJHSX-OCCSQVGLSA-N 0 0 418.482 2.881 20 30 HFEDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@H](C#N)c3cnc4ccccc4n3)C2=O)cc1 ZINC000792111120 1077701584 /nfs/dbraw/zinc/70/15/84/1077701584.db2.gz WPAHKFDXCFIGGG-MWTRTKDXSA-N 0 0 413.437 2.582 20 30 HFEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1 ZINC000789664240 1077709212 /nfs/dbraw/zinc/70/92/12/1077709212.db2.gz YTJWNKYCMRZOTG-DZGCQCFKSA-N 0 0 407.410 2.665 20 30 HFEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1 ZINC000789664242 1077709284 /nfs/dbraw/zinc/70/92/84/1077709284.db2.gz YTJWNKYCMRZOTG-UKRRQHHQSA-N 0 0 407.410 2.665 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000792126528 1077715212 /nfs/dbraw/zinc/71/52/12/1077715212.db2.gz GBNZBNMBHQUPCT-UHFFFAOYSA-N 0 0 417.510 2.645 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)c1 ZINC000789656493 1077722185 /nfs/dbraw/zinc/72/21/85/1077722185.db2.gz WFRHUEIBUSECBV-UKRRQHHQSA-N 0 0 407.410 2.665 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)c1 ZINC000789656491 1077722340 /nfs/dbraw/zinc/72/23/40/1077722340.db2.gz WFRHUEIBUSECBV-HIFRSBDPSA-N 0 0 407.410 2.665 20 30 HFEDRN C=CC[C@]1(C(=O)OC[C@H]2CCCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC000792172908 1077733887 /nfs/dbraw/zinc/73/38/87/1077733887.db2.gz 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COc1cccc([C@@H](C#N)NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1OC ZINC000789757062 1077763171 /nfs/dbraw/zinc/76/31/71/1077763171.db2.gz HTDWKPOEJPQPSU-HUUCEWRRSA-N 0 0 401.463 2.642 20 30 HFEDRN CCn1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 ZINC000792247871 1077763710 /nfs/dbraw/zinc/76/37/10/1077763710.db2.gz HFKNUCWJYNWJHX-QOCHGBHMSA-N 0 0 417.535 2.985 20 30 HFEDRN C=CCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 ZINC000792211818 1077766450 /nfs/dbraw/zinc/76/64/50/1077766450.db2.gz JJYJBZYXGBSQPV-UHFFFAOYSA-N 0 0 408.524 2.604 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)o1 ZINC000792278742 1077772576 /nfs/dbraw/zinc/77/25/76/1077772576.db2.gz IMFSBJVJBOXVQZ-UHFFFAOYSA-N 0 0 415.362 2.631 20 30 HFEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2nc3c(s2)C[C@@H](CCC)CC3)c1 ZINC000789751415 1077782604 /nfs/dbraw/zinc/78/26/04/1077782604.db2.gz DFXODDAHACKHLT-HNNXBMFYSA-N 0 0 424.526 2.723 20 30 HFEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2nc3c(s2)C[C@H](CC)CC3)c1 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MYXXYTHOWHWXER-UHFFFAOYSA-N 0 0 409.494 2.804 20 30 HFEDRN C=CCc1cc([C@@H]2NC(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc(OC)c1O ZINC000747138798 1078250085 /nfs/dbraw/zinc/25/00/85/1078250085.db2.gz IULYGOJSHFTEAX-APWZRJJASA-N 0 0 416.474 2.822 20 30 HFEDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC[C@@H]21 ZINC000793706173 1078276388 /nfs/dbraw/zinc/27/63/88/1078276388.db2.gz MWDGSRIMRCEZSD-PXNSSMCTSA-N 0 0 412.534 2.888 20 30 HFEDRN CCCN(CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(=O)OC(C)(C)C ZINC000793733151 1078284319 /nfs/dbraw/zinc/28/43/19/1078284319.db2.gz RWLPMQZTNMTQSP-UHFFFAOYSA-N 0 0 419.526 2.834 20 30 HFEDRN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000793743055 1078287641 /nfs/dbraw/zinc/28/76/41/1078287641.db2.gz RFFQFGAPJOEHJF-GFCCVEGCSA-N 0 0 418.266 2.823 20 30 HFEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2ccccc2OCC(F)(F)F)c1 ZINC000793813331 1078315261 /nfs/dbraw/zinc/31/52/61/1078315261.db2.gz PAAZTRXNVBDXQI-UHFFFAOYSA-N 0 0 409.339 2.571 20 30 HFEDRN 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AXPOTLDJSQYIRT-HNNXBMFYSA-N 0 0 402.476 2.580 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000788819350 1077307831 /nfs/dbraw/zinc/30/78/31/1077307831.db2.gz ZBNQWWUMOHBHCN-UHFFFAOYSA-N 0 0 410.518 2.581 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000788819882 1077308441 /nfs/dbraw/zinc/30/84/41/1077308441.db2.gz MXDUMPCEKWUGPG-UHFFFAOYSA-N 0 0 410.352 2.732 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000788820999 1077308713 /nfs/dbraw/zinc/30/87/13/1077308713.db2.gz OBRBOPMFIKLKHL-UHFFFAOYSA-N 0 0 424.482 2.657 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)n1 ZINC000788824302 1077310214 /nfs/dbraw/zinc/31/02/14/1077310214.db2.gz KPJKSPNJKIRZEF-FQEVSTJZSA-N 0 0 413.497 2.528 20 30 HFEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)ccc1OC ZINC000746766820 1077311270 /nfs/dbraw/zinc/31/12/70/1077311270.db2.gz XMAMTVFTFKOVKM-MJGOQNOKSA-N 0 0 411.506 2.884 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)n1 ZINC000788825801 1077311495 /nfs/dbraw/zinc/31/14/95/1077311495.db2.gz VOVQFNWIVQSGAG-FQEVSTJZSA-N 0 0 412.559 2.725 20 30 HFEDRN C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000788829218 1077312389 /nfs/dbraw/zinc/31/23/89/1077312389.db2.gz YIJFIGCIFAQZEQ-AWEZNQCLSA-N 0 0 420.362 2.862 20 30 HFEDRN COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000788830046 1077312738 /nfs/dbraw/zinc/31/27/38/1077312738.db2.gz OYHTVVDJZULVIT-QYZOEREBSA-N 0 0 416.522 2.645 20 30 HFEDRN COc1ccc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1C#N ZINC000746768009 1077315087 /nfs/dbraw/zinc/31/50/87/1077315087.db2.gz FZHYANKSQVFHAZ-UHFFFAOYSA-N 0 0 412.877 2.774 20 30 HFEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)CC2)cn1 ZINC000791188611 1077318695 /nfs/dbraw/zinc/31/86/95/1077318695.db2.gz HVFMARPADNYRIF-UHFFFAOYSA-N 0 0 409.877 2.696 20 30 HFEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(I)cc3)CC2)cn1 ZINC000791189183 1077319206 /nfs/dbraw/zinc/31/92/06/1077319206.db2.gz XYMNSOLDFRRRQL-UHFFFAOYSA-N 0 0 418.238 2.520 20 30 HFEDRN C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000791202595 1077319509 /nfs/dbraw/zinc/31/95/09/1077319509.db2.gz RCSYLKSXHPMVMD-CYBMUJFWSA-N 0 0 413.337 2.765 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 ZINC000788814507 1077321234 /nfs/dbraw/zinc/32/12/34/1077321234.db2.gz PKTSRYVRKNAXQM-UHFFFAOYSA-N 0 0 421.476 2.619 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(C)c(Br)c2)n1 ZINC000788815138 1077322100 /nfs/dbraw/zinc/32/21/00/1077322100.db2.gz LNEIVASJVRLZKA-UHFFFAOYSA-N 0 0 404.308 2.805 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NCc2cccnc2OC2CCCC2)n1 ZINC000788860946 1077323193 /nfs/dbraw/zinc/32/31/93/1077323193.db2.gz HHBFHDRQESFACG-UHFFFAOYSA-N 0 0 411.506 2.591 20 30 HFEDRN C#CCN(C(=O)N[C@@H](C)c1ncnn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000788888130 1077332056 /nfs/dbraw/zinc/33/20/56/1077332056.db2.gz XWWSIHGXUGBITC-SWLSCSKDSA-N 0 0 418.295 2.807 20 30 HFEDRN N#Cc1ccc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)cc1F ZINC000791242028 1077341482 /nfs/dbraw/zinc/34/14/82/1077341482.db2.gz CQTPSIJUNXLMFS-UHFFFAOYSA-N 0 0 417.443 2.666 20 30 HFEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000746774593 1077342624 /nfs/dbraw/zinc/34/26/24/1077342624.db2.gz JGCUQMSKYBINAO-LUHTUZHSSA-N 0 0 417.535 2.592 20 30 HFEDRN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCC#Cc1ccccc1Cl ZINC000746988978 1077343669 /nfs/dbraw/zinc/34/36/69/1077343669.db2.gz CSTSNGYSDMCFCB-UHFFFAOYSA-N 0 0 413.829 2.882 20 30 HFEDRN N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)nc1 ZINC000746990054 1077345863 /nfs/dbraw/zinc/34/58/63/1077345863.db2.gz MDVGIHCQSWLIKX-UHFFFAOYSA-N 0 0 406.471 2.607 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1 ZINC000788913886 1077352400 /nfs/dbraw/zinc/35/24/00/1077352400.db2.gz BPVPUIOIKCOUAF-INIZCTEOSA-N 0 0 401.461 2.853 20 30 HFEDRN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1ccc(C(=O)NO)cc1 ZINC000791277147 1077356689 /nfs/dbraw/zinc/35/66/89/1077356689.db2.gz OIXKNIYVTIPASI-UHFFFAOYSA-N 0 0 406.414 2.786 20 30 HFEDRN CCNc1nc(N=NCc2ccc(C(=O)OC)cc2Br)nc(NCC)n1 ZINC000788955403 1077361732 /nfs/dbraw/zinc/36/17/32/1077361732.db2.gz VUHKNIWDSAJBNZ-UHFFFAOYSA-N 0 0 422.287 2.730 20 30 HFEDRN N#Cc1ccc(COC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1F ZINC000791279692 1077367855 /nfs/dbraw/zinc/36/78/55/1077367855.db2.gz GQWPXBURGQCNTL-UHFFFAOYSA-N 0 0 417.190 2.799 20 30 HFEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)C3CCCCCC3)C2=O)cc1 ZINC000788935355 1077369129 /nfs/dbraw/zinc/36/91/29/1077369129.db2.gz BOOMECFONIKLIL-SFHVURJKSA-N 0 0 411.458 2.846 20 30 HFEDRN NS(=O)(=O)c1ccc(N=NCc2c(F)cccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000788940167 1077371526 /nfs/dbraw/zinc/37/15/26/1077371526.db2.gz NSDXBKFCCLFTEF-UHFFFAOYSA-N 0 0 422.316 2.726 20 30 HFEDRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1cc(C)nn1C ZINC000788941450 1077371942 /nfs/dbraw/zinc/37/19/42/1077371942.db2.gz XSZIDBANWGECGU-UHFFFAOYSA-N 0 0 408.484 2.503 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N#Cc1ccc(CN2CC[C@H](NC(=S)NCCSc3ccccc3)C2=O)cc1 ZINC000792688041 1077975496 /nfs/dbraw/zinc/97/54/96/1077975496.db2.gz ILACKOPGXTUYMR-IBGZPJMESA-N 0 0 410.568 2.916 20 30 HFEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790245509 1077975520 /nfs/dbraw/zinc/97/55/20/1077975520.db2.gz LGVZMXUMKVRJGZ-UHFFFAOYSA-N 0 0 422.428 2.897 20 30 HFEDRN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 ZINC000792738420 1077980969 /nfs/dbraw/zinc/98/09/69/1077980969.db2.gz GGWICEMUEGETSR-IBGZPJMESA-N 0 0 416.441 2.839 20 30 HFEDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790229707 1077981001 /nfs/dbraw/zinc/98/10/01/1077981001.db2.gz BOJKBPUYOKLVEU-UHFFFAOYSA-N 0 0 412.389 2.878 20 30 HFEDRN C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1cc(OCC)ccc1OCC ZINC000792747591 1077984456 /nfs/dbraw/zinc/98/44/56/1077984456.db2.gz RKYJXTSQGNTICH-KSSFIOAISA-N 0 0 417.531 2.963 20 30 HFEDRN COc1ccccc1C1N=NC(=S)N1N=Cc1c(Br)c(C)nn1C ZINC000790289509 1077986856 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/nfs/dbraw/zinc/53/46/96/1077534696.db2.gz AFMOBUHQKDVDCH-CYBMUJFWSA-N 0 0 417.443 2.633 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000791743779 1077535079 /nfs/dbraw/zinc/53/50/79/1077535079.db2.gz RITSLUMLLRNODS-CJNGLKHVSA-N 0 0 407.308 2.835 20 30 HFEDRN CCOC(=O)C1C=CC(=NC(=S)C(=C([O-])c2cnn(C)n2)[n+]2cccc(C)c2)C=C1 ZINC000789394199 1077536652 /nfs/dbraw/zinc/53/66/52/1077536652.db2.gz PXXXLMGYLQHYSY-UHFFFAOYSA-O 0 0 424.506 2.995 20 30 HFEDRN C=CC[C@]1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000791717203 1077537619 /nfs/dbraw/zinc/53/76/19/1077537619.db2.gz IGYHZOUXUCRGPT-NHCUHLMSSA-N 0 0 405.495 2.684 20 30 HFEDRN N#Cc1cc(COC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)ccn1 ZINC000747034464 1077537661 /nfs/dbraw/zinc/53/76/61/1077537661.db2.gz FRXXWRDHRXWOOA-UHFFFAOYSA-N 0 0 408.727 2.958 20 30 HFEDRN C=CC[C@]1(C(=O)O[C@@H](C)C(=O)Nc2ncccn2)CCCN1C(=O)OC(C)(C)C ZINC000791718272 1077537808 /nfs/dbraw/zinc/53/78/08/1077537808.db2.gz OZJKZLILNDLPEW-VBKZILBWSA-N 0 0 404.467 2.693 20 30 HFEDRN C[C@@H]1Cc2cc(C(=O)OC[C@H](C#N)Cc3cccs3)ccc2N1S(C)(=O)=O ZINC000772734820 1077537902 /nfs/dbraw/zinc/53/79/02/1077537902.db2.gz QXOQKSZYZCLRTJ-KGLIPLIRSA-N 0 0 404.513 2.998 20 30 HFEDRN COc1ccccc1NC(=S)NN=C(C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000747040670 1077542216 /nfs/dbraw/zinc/54/22/16/1077542216.db2.gz HEIZOJGMMDOMJT-UHFFFAOYSA-N 0 0 407.517 2.818 20 30 HFEDRN CCOC(=O)COc1cccc(C(C)=NNS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000747041987 1077543295 /nfs/dbraw/zinc/54/32/95/1077543295.db2.gz JVGYICLIQOBPEG-UHFFFAOYSA-N 0 0 404.488 2.948 20 30 HFEDRN COc1cc(C(C)=NNC(=S)NCCC(C)C)ccc1S(=O)(=O)C(F)F ZINC000747043344 1077545372 /nfs/dbraw/zinc/54/53/72/1077545372.db2.gz WMPUSXZUJAMELQ-UHFFFAOYSA-N 0 0 407.508 2.926 20 30 HFEDRN COc1cc(OC2CC2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000791774986 1077548658 /nfs/dbraw/zinc/54/86/58/1077548658.db2.gz KMNGOOWMJFPGMU-LJQANCHMSA-N 0 0 421.453 2.899 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(C(F)F)nn(C)c3s2)n1 ZINC000791747729 1077551071 /nfs/dbraw/zinc/55/10/71/1077551071.db2.gz LBXGYPZXDMAEBN-UHFFFAOYSA-N 0 0 407.446 2.691 20 30 HFEDRN COC(=O)c1coc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cc([O-])cc(Cl)c2)c1 ZINC000789420380 1077551813 /nfs/dbraw/zinc/55/18/13/1077551813.db2.gz NCJYDXRCBPHUON-UHFFFAOYSA-O 0 0 409.871 2.794 20 30 HFEDRN N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789406329 1077563287 /nfs/dbraw/zinc/56/32/87/1077563287.db2.gz UAAGJEQIHPEBHK-ZWKOTPCHSA-N 0 0 408.410 2.587 20 30 HFEDRN CCC(=O)N[C@@H](CCSC)C(=O)O[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000789476047 1077568196 /nfs/dbraw/zinc/56/81/96/1077568196.db2.gz OCOCLQBKRSYRPO-IRXDYDNUSA-N 0 0 407.511 2.857 20 30 HFEDRN C[C@]12CCC(=O)N1[C@H](C(=O)O[C@@H]1CCCN(c3ccc(F)cc3C#N)C1)CS2 ZINC000789475294 1077568876 /nfs/dbraw/zinc/56/88/76/1077568876.db2.gz ZLHRXTZRSHPNJD-SYNHAJSKSA-N 0 0 403.479 2.663 20 30 HFEDRN C=CCC[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000772784398 1077578896 /nfs/dbraw/zinc/57/88/96/1077578896.db2.gz JAKWSLYEFHIMKZ-HNNXBMFYSA-N 0 0 409.504 2.772 20 30 HFEDRN Cc1ccc2c(c1)C(=O)N(CC(=O)O[C@@H]1CCCN(c3ccc(F)cc3C#N)C1)C2=O ZINC000789472127 1077586101 /nfs/dbraw/zinc/58/61/01/1077586101.db2.gz CGMMEHKUQFDEFT-QGZVFWFLSA-N 0 0 421.428 2.814 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)Cn2c(=O)cnc3ccccc32)C1 ZINC000789480732 1077586988 /nfs/dbraw/zinc/58/69/88/1077586988.db2.gz WZAFDZPWLQHNHW-KRWDZBQOSA-N 0 0 406.417 2.619 20 30 HFEDRN N#C[C@@H](C(=O)CCOCC(F)(F)C(F)(F)F)C(=O)NCc1ccc(F)cc1F ZINC000791890149 1077587688 /nfs/dbraw/zinc/58/76/88/1077587688.db2.gz DHBJZSDIPBWUDN-NSHDSACASA-N 0 0 414.277 2.894 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000789486122 1077589399 /nfs/dbraw/zinc/58/93/99/1077589399.db2.gz AKBBUIYMNWUPOG-IBGZPJMESA-N 0 0 407.445 2.908 20 30 HFEDRN C[C@]12CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789488442 1077591939 /nfs/dbraw/zinc/59/19/39/1077591939.db2.gz QPNHUIKMBURFHW-QAPCUYQASA-N 0 0 407.301 2.796 20 30 HFEDRN COc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1C#N ZINC000747051858 1077596050 /nfs/dbraw/zinc/59/60/50/1077596050.db2.gz BVBURFFMHQZJEB-KRWDZBQOSA-N 0 0 408.410 2.644 20 30 HFEDRN CCc1nc(NC(=O)C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)sc1C ZINC000789499295 1077596893 /nfs/dbraw/zinc/59/68/93/1077596893.db2.gz AFBUUCSYOUACNM-CQSZACIVSA-N 0 0 416.503 2.958 20 30 HFEDRN COc1ccc(S(C)(=O)=O)cc1COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000789512130 1077604022 /nfs/dbraw/zinc/60/40/22/1077604022.db2.gz WWSNSMATTNVLBL-LJQANCHMSA-N 0 0 414.483 2.683 20 30 HFEDRN N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000789479746 1077609812 /nfs/dbraw/zinc/60/98/12/1077609812.db2.gz QDOLWTQCNALAQE-PXNSSMCTSA-N 0 0 422.460 2.653 20 30 HFEDRN Cn1nc(CC(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)c2ccccc2c1=O ZINC000789479387 1077610053 /nfs/dbraw/zinc/61/00/53/1077610053.db2.gz MXWOYNMBOYXIDW-QGZVFWFLSA-N 0 0 420.444 2.699 20 30 HFEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000789517367 1077611135 /nfs/dbraw/zinc/61/11/35/1077611135.db2.gz OIWHKUKDHWOSRE-IBGZPJMESA-N 0 0 422.407 2.620 20 30 HFEDRN CC(=O)N(CCc1ccccc1)CC(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000791976720 1077617604 /nfs/dbraw/zinc/61/76/04/1077617604.db2.gz ROOCJQTYYPDXDX-NRFANRHFSA-N 0 0 406.486 2.556 20 30 HFEDRN Cc1c(CC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)nnn1-c1ccc(C)cc1 ZINC000791976750 1077618159 /nfs/dbraw/zinc/61/81/59/1077618159.db2.gz DPGSVEXNEFCASK-HXUWFJFHSA-N 0 0 416.485 2.906 20 30 HFEDRN N#Cc1ccnc(N2CCC[C@@H](OC(=O)CCN3C(=O)CCc4ccccc43)C2)c1 ZINC000791976041 1077618169 /nfs/dbraw/zinc/61/81/69/1077618169.db2.gz FHEJUCFECMSTQZ-LJQANCHMSA-N 0 0 404.470 2.835 20 30 HFEDRN C[C@@H](C(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000791978399 1077619650 /nfs/dbraw/zinc/61/96/50/1077619650.db2.gz KRCNDSNEFWIJGN-QAPCUYQASA-N 0 0 413.499 2.672 20 30 HFEDRN C[C@H](C(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000791978398 1077619707 /nfs/dbraw/zinc/61/97/07/1077619707.db2.gz KRCNDSNEFWIJGN-MAUKXSAKSA-N 0 0 413.499 2.672 20 30 HFEDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)C1 ZINC000791979773 1077621240 /nfs/dbraw/zinc/62/12/40/1077621240.db2.gz QALSXDVHZZUPCB-OALUTQOASA-N 0 0 413.522 2.543 20 30 HFEDRN N#Cc1ccnc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)C2)c1 ZINC000791981660 1077621255 /nfs/dbraw/zinc/62/12/55/1077621255.db2.gz GYKWIRDZSVTVGO-SJORKVTESA-N 0 0 408.433 2.657 20 30 HFEDRN CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526011 1077621304 /nfs/dbraw/zinc/62/13/04/1077621304.db2.gz UCCYFJWXLPTZBI-LJQANCHMSA-N 0 0 408.527 2.974 20 30 HFEDRN Cc1nc(C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)nn1-c1ccc(F)cc1 ZINC000791982358 1077622024 /nfs/dbraw/zinc/62/20/24/1077622024.db2.gz JVCASYUWAYQYCF-SFHVURJKSA-N 0 0 406.421 2.807 20 30 HFEDRN COc1cc(C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc(NC(C)=O)c1OC ZINC000791984361 1077622698 /nfs/dbraw/zinc/62/26/98/1077622698.db2.gz VFGFYVHOAVBBAU-QGZVFWFLSA-N 0 0 424.457 2.755 20 30 HFEDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)C1 ZINC000791984039 1077623471 /nfs/dbraw/zinc/62/34/71/1077623471.db2.gz SOBXXBPPHQOWGL-SJORKVTESA-N 0 0 412.490 2.722 20 30 HFEDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000746825156 1077636029 /nfs/dbraw/zinc/63/60/29/1077636029.db2.gz NANVNXCMZMBRND-HKUYNNGSSA-N 0 0 400.523 2.898 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCCC3CCOCC3)CC2)cc1 ZINC000789547359 1077639517 /nfs/dbraw/zinc/63/95/17/1077639517.db2.gz AUMKGVXNRLEXBL-UHFFFAOYSA-N 0 0 420.531 2.709 20 30 HFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@@H]1CCC(C)(C)O1 ZINC000792019340 1077652680 /nfs/dbraw/zinc/65/26/80/1077652680.db2.gz DUZOQVXRRNIPOD-HOCLYGCPSA-N 0 0 408.520 2.785 20 30 HFEDRN N#Cc1ccc(NCCNC(=O)N2CCOc3c(Br)cccc3C2)nc1 ZINC000792022855 1077655784 /nfs/dbraw/zinc/65/57/84/1077655784.db2.gz AKMMAPQWLAZJKJ-UHFFFAOYSA-N 0 0 416.279 2.732 20 30 HFEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN1C(=S)N=NC1CC ZINC000789583623 1077668176 /nfs/dbraw/zinc/66/81/76/1077668176.db2.gz CUYVBVFFGXCYFW-UHFFFAOYSA-N 0 0 401.536 2.736 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc32)cc1 ZINC000746827943 1077668961 /nfs/dbraw/zinc/66/89/61/1077668961.db2.gz AWMFRGRBEWTTQN-ATJXCDBQSA-N 0 0 412.515 2.501 20 30 HFEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000789584601 1077669397 /nfs/dbraw/zinc/66/93/97/1077669397.db2.gz RSYZQCYEIMWPHL-KRWDZBQOSA-N 0 0 402.491 2.515 20 30 HFEDRN COCc1cccc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000747055267 1077675138 /nfs/dbraw/zinc/67/51/38/1077675138.db2.gz RTQOYYWWMBUPPY-IBGZPJMESA-N 0 0 407.426 2.653 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000789615976 1077685769 /nfs/dbraw/zinc/68/57/69/1077685769.db2.gz IKSNHLAMSJCWEH-HZPDHXFCSA-N 0 0 410.449 2.792 20 30 HFEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c1 ZINC000789627297 1077698146 /nfs/dbraw/zinc/69/81/46/1077698146.db2.gz RITREWPOOAERDA-HLNJFSBGSA-N 0 0 411.483 2.808 20 30 HFEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)cc1 ZINC000789627344 1077698191 /nfs/dbraw/zinc/69/81/91/1077698191.db2.gz SBGMDIBWMNMEKK-HBWVRPOVSA-N 0 0 411.483 2.808 20 30 HFEDRN N#CC(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1nccc2ccccc21 ZINC000792098523 1077714563 /nfs/dbraw/zinc/71/45/63/1077714563.db2.gz CBQSZRDKHFENLC-REWPJTCUSA-N 0 0 424.460 2.887 20 30 HFEDRN N#CCn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cn1 ZINC000789638535 1077715077 /nfs/dbraw/zinc/71/50/77/1077715077.db2.gz DNCDDWBTLYMBCR-SFHVURJKSA-N 0 0 421.436 2.628 20 30 HFEDRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1[N+](=O)[O-] ZINC000792123196 1077729460 /nfs/dbraw/zinc/72/94/60/1077729460.db2.gz COPHDUKZVHVRRT-UHFFFAOYSA-N 0 0 404.400 2.900 20 30 HFEDRN CCC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](O)c1ccccc1 ZINC000792171649 1077733834 /nfs/dbraw/zinc/73/38/34/1077733834.db2.gz RQCFQQYIZWYZTL-OKYOBFRVSA-N 0 0 416.522 2.947 20 30 HFEDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000789732858 1077742548 /nfs/dbraw/zinc/74/25/48/1077742548.db2.gz MVDWSMKOYNSZQU-RBUKOAKNSA-N 0 0 410.518 2.652 20 30 HFEDRN Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cnn(-c3cccnc3)c2)cc1C ZINC000792235967 1077757542 /nfs/dbraw/zinc/75/75/42/1077757542.db2.gz YYKHPPPOWSWVFE-UHFFFAOYSA-N 0 0 403.442 2.988 20 30 HFEDRN C#CCCCNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000792235360 1077757893 /nfs/dbraw/zinc/75/78/93/1077757893.db2.gz OMACSHWEUYWPOC-UHFFFAOYSA-N 0 0 418.085 2.688 20 30 HFEDRN CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCC1 ZINC000789725392 1077760417 /nfs/dbraw/zinc/76/04/17/1077760417.db2.gz DXJHGVRKJOXWAS-UHFFFAOYSA-N 0 0 417.510 2.617 20 30 HFEDRN O=C(COC(=O)c1cnc2n1CCCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000792244927 1077762476 /nfs/dbraw/zinc/76/24/76/1077762476.db2.gz VRULERXAEPWPML-UHFFFAOYSA-N 0 0 405.376 2.563 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(Cc2cccnc2)no1 ZINC000789761687 1077766344 /nfs/dbraw/zinc/76/63/44/1077766344.db2.gz PLABHFIKGZWVHE-INIZCTEOSA-N 0 0 411.487 2.881 20 30 HFEDRN C#CCOc1ccc(NC(=O)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)cc1 ZINC000792286474 1077775857 /nfs/dbraw/zinc/77/58/57/1077775857.db2.gz CQNULRIQQUEMBB-UHFFFAOYSA-N 0 0 404.781 2.855 20 30 HFEDRN C=CCN(CCOC)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000792253827 1077780707 /nfs/dbraw/zinc/78/07/07/1077780707.db2.gz IPASXZOQZVMTRI-QOCHGBHMSA-N 0 0 422.551 2.946 20 30 HFEDRN CC[C@@]1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCOC1 ZINC000792255070 1077782304 /nfs/dbraw/zinc/78/23/04/1077782304.db2.gz MGPBWYDCLKBYMK-SEDGDDRASA-N 0 0 422.551 2.970 20 30 HFEDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(OC)c(C#N)c2)c(OC)c1 ZINC000747064855 1077785144 /nfs/dbraw/zinc/78/51/44/1077785144.db2.gz IYSUZFSJFUVNIV-LJQANCHMSA-N 0 0 423.469 2.505 20 30 HFEDRN C=CCOc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1OC ZINC000772744385 1077789866 /nfs/dbraw/zinc/78/98/66/1077789866.db2.gz QVPGUMRTRRZBDM-XOPAWIAISA-N 0 0 411.502 2.979 20 30 HFEDRN COc1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)ccc1S(=O)(=O)C(F)F ZINC000747066806 1077792951 /nfs/dbraw/zinc/79/29/51/1077792951.db2.gz OYHYTOVGFFEUMK-XQRVVYSFSA-N 0 0 423.441 2.978 20 30 HFEDRN C[C@H]1Sc2ccc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)cc2NC1=O ZINC000789789858 1077797029 /nfs/dbraw/zinc/79/70/29/1077797029.db2.gz ZAAIZKRKBURHQF-LLVKDONJSA-N 0 0 403.460 2.789 20 30 HFEDRN N#Cc1cc(C(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)ccc1F ZINC000792305197 1077798222 /nfs/dbraw/zinc/79/82/22/1077798222.db2.gz BEISCMHWGFAKEZ-UHFFFAOYSA-N 0 0 415.852 2.852 20 30 HFEDRN N#Cc1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)ccc1F ZINC000792306115 1077798647 /nfs/dbraw/zinc/79/86/47/1077798647.db2.gz GREKVFIJSOSUIT-UHFFFAOYSA-N 0 0 402.179 2.825 20 30 HFEDRN 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/nfs/dbraw/zinc/80/05/58/1077800558.db2.gz RTAAHTMYSWMRIY-UHFFFAOYSA-N 0 0 404.417 2.569 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)n1 ZINC000789794077 1077800855 /nfs/dbraw/zinc/80/08/55/1077800855.db2.gz WZFKULLNBHXXMS-UHFFFAOYSA-N 0 0 406.408 2.998 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)n1 ZINC000789794959 1077801548 /nfs/dbraw/zinc/80/15/48/1077801548.db2.gz PULKQCZCZXQMHG-UHFFFAOYSA-N 0 0 418.501 2.580 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2c(C)cc(C)cc2Br)n1 ZINC000789794978 1077801558 /nfs/dbraw/zinc/80/15/58/1077801558.db2.gz QTTAAEQALGHWKA-UHFFFAOYSA-N 0 0 417.307 2.883 20 30 HFEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000789796829 1077802929 /nfs/dbraw/zinc/80/29/29/1077802929.db2.gz WIHYICLADXLOSF-UHFFFAOYSA-N 0 0 409.417 2.788 20 30 HFEDRN N#Cc1cc(C(=O)OCc2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1F ZINC000792323757 1077806810 /nfs/dbraw/zinc/80/68/10/1077806810.db2.gz LCVSSPVTUIWBDZ-UHFFFAOYSA-N 0 0 414.393 2.975 20 30 HFEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000789808558 1077807742 /nfs/dbraw/zinc/80/77/42/1077807742.db2.gz DZFKWUYMBGJIOV-ZWKOTPCHSA-N 0 0 406.486 2.949 20 30 HFEDRN C#CC[C@H](NC(=O)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccccc1 ZINC000792353258 1077812497 /nfs/dbraw/zinc/81/24/97/1077812497.db2.gz UDUOQAGWTGZQKM-IBGZPJMESA-N 0 0 403.438 2.549 20 30 HFEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000789809501 1077819591 /nfs/dbraw/zinc/81/95/91/1077819591.db2.gz PKIVYNHUHWCANE-QGZVFWFLSA-N 0 0 409.461 2.809 20 30 HFEDRN Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1C#N ZINC000789809731 1077821136 /nfs/dbraw/zinc/82/11/36/1077821136.db2.gz HMHWXRFSXWMCJP-HNNXBMFYSA-N 0 0 406.442 2.981 20 30 HFEDRN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1 ZINC000747067350 1077821423 /nfs/dbraw/zinc/82/14/23/1077821423.db2.gz TZPVTMKWYSSARB-UITAMQMPSA-N 0 0 409.410 2.947 20 30 HFEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)cc1 ZINC000789823521 1077828216 /nfs/dbraw/zinc/82/82/16/1077828216.db2.gz FNZATDRIPADVAY-WOJBJXKFSA-N 0 0 424.501 2.807 20 30 HFEDRN C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789847850 1077838390 /nfs/dbraw/zinc/83/83/90/1077838390.db2.gz XKZCLVLTNMVRNW-UHFFFAOYSA-N 0 0 405.514 2.608 20 30 HFEDRN C=CCN(CCOC)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000792407627 1077840089 /nfs/dbraw/zinc/84/00/89/1077840089.db2.gz XBJKSUUCVDOPAK-UHFFFAOYSA-N 0 0 411.458 2.741 20 30 HFEDRN CCn1cc([C@@H](O)CN(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376760 1077843143 /nfs/dbraw/zinc/84/31/43/1077843143.db2.gz MUSPEFPLNJSZMO-QFIPXVFZSA-N 0 0 403.486 2.949 20 30 HFEDRN Cc1ccc(CN(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 ZINC000789867241 1077843651 /nfs/dbraw/zinc/84/36/51/1077843651.db2.gz LGXDAZNLSXVCIU-SFHVURJKSA-N 0 0 414.531 2.502 20 30 HFEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccc(C)cn1 ZINC000789868508 1077843860 /nfs/dbraw/zinc/84/38/60/1077843860.db2.gz 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Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@H](C)c2nnnn2C2CC2)c1C#N ZINC000792471246 1077871256 /nfs/dbraw/zinc/87/12/56/1077871256.db2.gz SEOTTYZWHBQWDA-HNNXBMFYSA-N 0 0 418.505 2.636 20 30 HFEDRN CS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)ccc1F ZINC000792472976 1077872463 /nfs/dbraw/zinc/87/24/63/1077872463.db2.gz BOJUOSAGFWDASQ-UHFFFAOYSA-N 0 0 422.459 2.640 20 30 HFEDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000792474950 1077873147 /nfs/dbraw/zinc/87/31/47/1077873147.db2.gz MPNXSZZSXKJMSM-JTQLQIEISA-N 0 0 410.224 2.774 20 30 HFEDRN COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1c[nH]c2cc(F)ccc12 ZINC000789967163 1077874601 /nfs/dbraw/zinc/87/46/01/1077874601.db2.gz CLQCBTKYRQUUIB-LBPRGKRZSA-N 0 0 413.482 2.783 20 30 HFEDRN COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2cnccc12 ZINC000789969277 1077876242 /nfs/dbraw/zinc/87/62/42/1077876242.db2.gz XPKGSDQCHOGGHO-AWEZNQCLSA-N 0 0 407.503 2.711 20 30 HFEDRN CCOC(=O)CON=C(C(=O)N1CCCCC[C@@H]1c1ccc(C)o1)c1ccn[nH]1 ZINC000789984265 1077884203 /nfs/dbraw/zinc/88/42/03/1077884203.db2.gz OGXZWYNYDZAMLQ-MRXNPFEDSA-N 0 0 402.451 2.739 20 30 HFEDRN CCCn1cc(C=Nn2c(-c3cccc(S(C)(=O)=O)c3)csc2=NC)cn1 ZINC000789984100 1077884611 /nfs/dbraw/zinc/88/46/11/1077884611.db2.gz OTFAEIISJQADNX-UHFFFAOYSA-N 0 0 403.533 2.639 20 30 HFEDRN N#Cc1ccc(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000789983822 1077884699 /nfs/dbraw/zinc/88/46/99/1077884699.db2.gz LHQAQGNFPRTZSC-PMACEKPBSA-N 0 0 400.438 2.766 20 30 HFEDRN COc1ccc(N=c2scc(-c3cnn(C)n3)n2N=Cc2ccnn2C(C)C)cn1 ZINC000789990892 1077892039 /nfs/dbraw/zinc/89/20/39/1077892039.db2.gz LKDMTLHIIQXNBP-UHFFFAOYSA-N 0 0 423.506 2.641 20 30 HFEDRN Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2cnn(C(C)(C)C)c2)n1 ZINC000789992688 1077892275 /nfs/dbraw/zinc/89/22/75/1077892275.db2.gz YHHAZKJHYWYEEG-UHFFFAOYSA-N 0 0 412.445 2.642 20 30 HFEDRN Cn1ncc(-c2csc(=Nc3ccccn3)n2N=Cc2cnc3ccccc3n2)n1 ZINC000789992439 1077892313 /nfs/dbraw/zinc/89/23/13/1077892313.db2.gz SXJGBWMMKCODDK-UHFFFAOYSA-N 0 0 413.470 2.798 20 30 HFEDRN C=Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccc(N(C)C)cc2)cn1 ZINC000789992212 1077892775 /nfs/dbraw/zinc/89/27/75/1077892775.db2.gz WEFOZHGDWJHKQE-UHFFFAOYSA-N 0 0 419.518 2.823 20 30 HFEDRN Cc1ccc(F)cc1-c1nnc(NC(=O)CCNC(=O)C2N=CC=CC2=O)s1 ZINC000792537514 1077892949 /nfs/dbraw/zinc/89/29/49/1077892949.db2.gz GCRKSEIIOXNBDD-NXVVXOECSA-N 0 0 401.423 2.508 20 30 HFEDRN CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1ccn[nH]1 ZINC000789994301 1077894497 /nfs/dbraw/zinc/89/44/97/1077894497.db2.gz BCEXJNOKLMJONG-ZDUSSCGKSA-N 0 0 421.523 2.801 20 30 HFEDRN Cc1nc2ccccc2c(NC(=O)CN=C2NS(=O)(=O)c3ccccc32)c1C(C)C ZINC000792551858 1077900395 /nfs/dbraw/zinc/90/03/95/1077900395.db2.gz SPRCIZLJZUYVTI-UHFFFAOYSA-N 0 0 422.510 2.766 20 30 HFEDRN C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCc2ccccc21 ZINC000746870001 1077900762 /nfs/dbraw/zinc/90/07/62/1077900762.db2.gz YBDVXYATWHGEPL-INIZCTEOSA-N 0 0 417.469 2.906 20 30 HFEDRN 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DLGDMWNSUJFPGK-XMMPIXPASA-N 0 0 420.557 2.950 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C)C(C)(C)C ZINC000807535066 1080749226 /nfs/dbraw/zinc/74/92/26/1080749226.db2.gz QXUSZWDRNVBNJY-CYBMUJFWSA-N 0 0 409.280 2.647 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1)C(C)(C)C ZINC000807534547 1080749264 /nfs/dbraw/zinc/74/92/64/1080749264.db2.gz HUGRHMVYNSYQRH-OAHLLOKOSA-N 0 0 417.307 2.797 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC)C(C)(C)C ZINC000807535245 1080749282 /nfs/dbraw/zinc/74/92/82/1080749282.db2.gz USJGUQMQIBFAKV-IBGZPJMESA-N 0 0 415.534 2.803 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)C(C)(C)C ZINC000807534761 1080749814 /nfs/dbraw/zinc/74/98/14/1080749814.db2.gz MAAPUMRBZCRXMN-OAHLLOKOSA-N 0 0 403.280 2.737 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)C ZINC000807535392 1080750165 /nfs/dbraw/zinc/75/01/65/1080750165.db2.gz YYLPVXNAAUSXPK-MRXNPFEDSA-N 0 0 411.424 2.645 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cnc(Br)c(Br)c1)C(C)(C)C ZINC000807536092 1080751245 /nfs/dbraw/zinc/75/12/45/1080751245.db2.gz OZXVMMXJXUVWEZ-JTQLQIEISA-N 0 0 417.101 2.709 20 30 HFEDRN C=C(CNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccccc1 ZINC000807580332 1080791904 /nfs/dbraw/zinc/79/19/04/1080791904.db2.gz RCWOWWPEHWEDEQ-UHFFFAOYSA-N 0 0 414.531 2.603 20 30 HFEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000807589347 1080800238 /nfs/dbraw/zinc/80/02/38/1080800238.db2.gz RMYOJSMOJNALSQ-OAQYLSRUSA-N 0 0 418.497 2.527 20 30 HFEDRN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2 ZINC000328602541 569416635 /nfs/dbraw/zinc/41/66/35/569416635.db2.gz BZWPWQYEYOTNGP-SVFBPWRDSA-N 0 0 406.490 2.880 20 30 HFEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2OCC(F)(F)[C@H]2C1 ZINC001164423803 718926497 /nfs/dbraw/zinc/92/64/97/718926497.db2.gz JMGMAKVIVJDHAL-QWRGUYRKSA-N 0 0 407.751 2.799 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001164653640 719303259 /nfs/dbraw/zinc/30/32/59/719303259.db2.gz PLLWWRYXNKAYMO-PNPHSEOMSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164650566 719303911 /nfs/dbraw/zinc/30/39/11/719303911.db2.gz JGMPMAJJQVBXQN-QITLCBANSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H](C(=O)N2CCCC2)C[C@H]2OCC[C@@H]21 ZINC001164677382 719535625 /nfs/dbraw/zinc/53/56/25/719535625.db2.gz DIJIJZFIQGZVGK-UHOFOFEASA-N 0 0 410.852 2.758 20 30 HFEDRN CCCc1cc(C#N)c(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1Cl ZINC001164698795 719858738 /nfs/dbraw/zinc/85/87/38/719858738.db2.gz DSRUHYZGCGSBNK-UTKZUKDTSA-N 0 0 420.941 2.792 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21 ZINC001164828605 720421076 /nfs/dbraw/zinc/42/10/76/720421076.db2.gz YJGOMMVEFOAOFQ-ILXRZTDVSA-N 0 0 412.868 2.765 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164760066 721007519 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ZINC001164944225 721947568 /nfs/dbraw/zinc/94/75/68/721947568.db2.gz QULUBXXRHQCROY-SJORKVTESA-N 0 0 423.851 2.846 20 30 HFEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21 ZINC001164947490 721952439 /nfs/dbraw/zinc/95/24/39/721952439.db2.gz PZRZRXCVYKVKTF-IAGOWNOFSA-N 0 0 423.851 2.846 20 30 HFEDRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164954899 722007657 /nfs/dbraw/zinc/00/76/57/722007657.db2.gz QSZPDDOFSCJKDQ-CXAGYDPISA-N 0 0 413.856 2.551 20 30 HFEDRN COc1nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(F)cc1C#N ZINC001164990106 722184860 /nfs/dbraw/zinc/18/48/60/722184860.db2.gz QBUTXMHXVGIQMU-ROUUACIJSA-N 0 0 417.510 2.736 20 30 HFEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)C(C)(C)C2)cc1 ZINC000790498108 1078043735 /nfs/dbraw/zinc/04/37/35/1078043735.db2.gz XSHURCIDLIACRP-CZEALIGGSA-N 0 0 422.551 2.514 20 30 HFEDRN C=CCn1c(=S)n(CN2CCO[C@@H](COc3ccccc3)C2)nc1-c1cnccn1 ZINC000790466413 1078045002 /nfs/dbraw/zinc/04/50/02/1078045002.db2.gz FMQXUMYKKOKCRT-GOSISDBHSA-N 0 0 424.530 2.794 20 30 HFEDRN CCCOc1ccc(C(C)(C)NC(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000793003259 1078045524 /nfs/dbraw/zinc/04/55/24/1078045524.db2.gz GCOVDHVZHMWTQA-VHEBQXMUSA-N 0 0 400.479 2.536 20 30 HFEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)ccc1OC ZINC000793014357 1078049148 /nfs/dbraw/zinc/04/91/48/1078049148.db2.gz XBZHLDWVPCCQFJ-JBYIUTFZSA-N 0 0 417.506 2.856 20 30 HFEDRN CCn1cc(NCCNC(=O)c2ccc(Cl)cn2)c2sc(C#N)cc2c1=O ZINC001170424162 1078049342 /nfs/dbraw/zinc/04/93/42/1078049342.db2.gz RYVBDVKBLYFJGH-UHFFFAOYSA-N 0 0 401.879 2.845 20 30 HFEDRN N#Cc1ccc(CNC(=O)COc2cc(F)cc(I)c2)cc1 ZINC000790517707 1078049400 /nfs/dbraw/zinc/04/94/00/1078049400.db2.gz IIBQGICCHOGQRH-UHFFFAOYSA-N 0 0 410.186 2.997 20 30 HFEDRN C#CCN1CCN(C(=O)COc2ccc(NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC000790519324 1078049724 /nfs/dbraw/zinc/04/97/24/1078049724.db2.gz GLUNZAPBKRFVKP-UHFFFAOYSA-N 0 0 407.898 2.843 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](OC(=O)CC[C@H]3Cc4ccccc4NC3=O)C2=O)cc1 ZINC000746919303 1078049893 /nfs/dbraw/zinc/04/98/93/1078049893.db2.gz SNBLYUXOVMOIMX-FXAWDEMLSA-N 0 0 403.438 2.798 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](OC(=O)CC[C@@H]3Cc4ccccc4NC3=O)C2=O)cc1 ZINC000746919305 1078049958 /nfs/dbraw/zinc/04/99/58/1078049958.db2.gz SNBLYUXOVMOIMX-XLIONFOSSA-N 0 0 403.438 2.798 20 30 HFEDRN C=CC[C@@]1(C(=O)NCCC(=O)Nc2cccnc2)CCCN1C(=O)OC(C)(C)C ZINC000790559713 1078056095 /nfs/dbraw/zinc/05/60/95/1078056095.db2.gz BPDHLBQDKVADIR-NRFANRHFSA-N 0 0 402.495 2.872 20 30 HFEDRN COc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1-n1nnnc1C ZINC000790563491 1078056867 /nfs/dbraw/zinc/05/68/67/1078056867.db2.gz BGBHVUJEHHKIHY-UHFFFAOYSA-N 0 0 401.348 2.988 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1 ZINC000790570346 1078057917 /nfs/dbraw/zinc/05/79/17/1078057917.db2.gz BPQRFXFDMDCBQK-UHFFFAOYSA-N 0 0 412.442 2.927 20 30 HFEDRN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790586197 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1077319333 /nfs/dbraw/zinc/31/93/33/1077319333.db2.gz DEVFSPRFMWPRSL-UHFFFAOYSA-N 0 0 420.517 2.677 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br ZINC000791200854 1077321781 /nfs/dbraw/zinc/32/17/81/1077321781.db2.gz GXQAJCURWPISQI-ZDUSSCGKSA-N 0 0 415.353 2.915 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000791200156 1077321812 /nfs/dbraw/zinc/32/18/12/1077321812.db2.gz LKDVQYICLIYUFB-FQEVSTJZSA-N 0 0 402.560 2.884 20 30 HFEDRN Cc1c(Br)c(C)n(NC(=O)c2ccc(-n3cccn3)cc2)c(=O)c1C#N ZINC000791170821 1077325583 /nfs/dbraw/zinc/32/55/83/1077325583.db2.gz DOPXUCVTMBRWDH-UHFFFAOYSA-N 0 0 412.247 2.669 20 30 HFEDRN Cc1c(Br)c(C)n(NC(=O)[C@H](C)n2cnc3ccccc32)c(=O)c1C#N ZINC000791171765 1077326646 /nfs/dbraw/zinc/32/66/46/1077326646.db2.gz YVBBWBWLOVTONJ-LBPRGKRZSA-N 0 0 414.263 2.780 20 30 HFEDRN Cc1c(Br)c(C)n(NC(=O)CCC(=O)c2ccccc2)c(=O)c1C#N ZINC000791171302 1077326918 /nfs/dbraw/zinc/32/69/18/1077326918.db2.gz OVOGCPTWEIVERH-UHFFFAOYSA-N 0 0 402.248 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1077332636 /nfs/dbraw/zinc/33/26/36/1077332636.db2.gz CUCZGMNVRWJRGU-RTBURBONSA-N 0 0 419.529 2.525 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)n1 ZINC000788894210 1077341988 /nfs/dbraw/zinc/34/19/88/1077341988.db2.gz NVSKKZGDCLKKAN-IBGZPJMESA-N 0 0 412.490 2.597 20 30 HFEDRN N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCN1C1CC1 ZINC000788903416 1077346086 /nfs/dbraw/zinc/34/60/86/1077346086.db2.gz CXDFDTIHTBMKCU-ZBFHGGJFSA-N 0 0 408.333 2.954 20 30 HFEDRN O=C(NCc1ccc(C(=O)NO)cc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000791273007 1077355538 /nfs/dbraw/zinc/35/55/38/1077355538.db2.gz ONWUVXMBLSUHTQ-UHFFFAOYSA-N 0 0 419.416 2.851 20 30 HFEDRN O=C(NO)c1ccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC000791273437 1077356067 /nfs/dbraw/zinc/35/60/67/1077356067.db2.gz VQZIVFCZHPQPLU-UHFFFAOYSA-N 0 0 403.232 2.660 20 30 HFEDRN CC(C)(C)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000791244912 1077356908 /nfs/dbraw/zinc/35/69/08/1077356908.db2.gz MZESASGQXXQHAH-UHFFFAOYSA-N 0 0 416.459 2.570 20 30 HFEDRN O=C(CNC(=O)c1ccccc1I)OCC#Cc1ccccc1 ZINC000791243397 1077356971 /nfs/dbraw/zinc/35/69/71/1077356971.db2.gz QNXPYVGQYRGQLR-UHFFFAOYSA-N 0 0 419.218 2.616 20 30 HFEDRN C=C(CO)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000791292779 1077358176 /nfs/dbraw/zinc/35/81/76/1077358176.db2.gz RSPBIHQAMREMGS-UHFFFAOYSA-N 0 0 400.378 2.993 20 30 HFEDRN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3F)C2=O)c(C)c1 ZINC000788951689 1077359493 /nfs/dbraw/zinc/35/94/93/1077359493.db2.gz NZJNDKBSXAPVKI-KRWDZBQOSA-N 0 0 401.463 2.706 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2nccs2)c2ccccc2)n1 ZINC000788962774 1077364555 /nfs/dbraw/zinc/36/45/55/1077364555.db2.gz HNRVAGMQINOLLQ-IBGZPJMESA-N 0 0 409.515 2.920 20 30 HFEDRN COc1cc(C(=O)NCC(=O)OCC#Cc2ccccc2Cl)cc(OC)c1OC ZINC000746996813 1077366136 /nfs/dbraw/zinc/36/61/36/1077366136.db2.gz SVMPIQCGDNWWQC-UHFFFAOYSA-N 0 0 417.845 2.691 20 30 HFEDRN CSCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 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N#Cc1cc(Cl)ncc1C(F)(F)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164799821 720049778 /nfs/dbraw/zinc/04/97/78/720049778.db2.gz CAAYDAHSRYHOEM-MAUKXSAKSA-N 0 0 423.851 2.803 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]21 ZINC001164822164 720419234 /nfs/dbraw/zinc/41/92/34/720419234.db2.gz BYZRCQPBYZHWQN-QLFBSQMISA-N 0 0 412.868 2.765 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)c1 ZINC001164849396 720811393 /nfs/dbraw/zinc/81/13/93/720811393.db2.gz GRAHRLNTYWWDTI-HUUCEWRRSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1 ZINC001164854115 720811928 /nfs/dbraw/zinc/81/19/28/720811928.db2.gz SLEFQOIHCBYQKF-LSDHHAIUSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001164882943 721340550 /nfs/dbraw/zinc/34/05/50/721340550.db2.gz JBPBGPGNRZPPIZ-CRAIPNDOSA-N 0 0 410.852 2.663 20 30 HFEDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(C#N)cc3C#N)C2)C1 ZINC001164779989 721343125 /nfs/dbraw/zinc/34/31/25/721343125.db2.gz XXBHBBIGKRGNIZ-JOCHJYFZSA-N 0 0 406.490 2.549 20 30 HFEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001164882232 721363071 /nfs/dbraw/zinc/36/30/71/721363071.db2.gz HYBXBCTXRGKMHL-HZPDHXFCSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)cnc1Cl ZINC001164885764 721364438 /nfs/dbraw/zinc/36/44/38/721364438.db2.gz ZAWAUHONXNTASW-HOTGVXAUSA-N 0 0 422.794 2.911 20 30 HFEDRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)CC2=O)cn1 ZINC001164886843 721372193 /nfs/dbraw/zinc/37/21/93/721372193.db2.gz OTDCHDNDTMSEQX-QGZVFWFLSA-N 0 0 406.824 2.518 20 30 HFEDRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164887910 721376079 /nfs/dbraw/zinc/37/60/79/721376079.db2.gz IVYVYMIBUPTQRA-INIZCTEOSA-N 0 0 418.897 2.936 20 30 HFEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164786457 721446497 /nfs/dbraw/zinc/44/64/97/721446497.db2.gz VCWNRERCNAVEJT-UHFFFAOYSA-N 0 0 401.870 2.962 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001164894250 721481741 /nfs/dbraw/zinc/48/17/41/721481741.db2.gz GVOIGAOTCUFYLE-UGSOOPFHSA-N 0 0 410.852 2.521 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)cc(Cl)n1 ZINC001164894313 721482196 /nfs/dbraw/zinc/48/21/96/721482196.db2.gz HGDOFRGPMBTTPA-KSSFIOAISA-N 0 0 410.852 2.521 20 30 HFEDRN N#Cc1cc(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cnc1Cl ZINC001164801110 721607747 /nfs/dbraw/zinc/60/77/47/721607747.db2.gz FOKVWMKOFKXCMK-FUHWJXTLSA-N 0 0 423.851 2.803 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001165008026 721696268 /nfs/dbraw/zinc/69/62/68/721696268.db2.gz IBGIJBKIWGQPDO-UHFFFAOYSA-N 0 0 409.872 2.994 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001165011349 721700511 /nfs/dbraw/zinc/70/05/11/721700511.db2.gz RJFQMLKEPKBVBL-UHFFFAOYSA-N 0 0 409.872 2.994 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001165024400 721784487 /nfs/dbraw/zinc/78/44/87/721784487.db2.gz WWNQNLNFBLJPHJ-GOSISDBHSA-N 0 0 418.835 2.965 20 30 HFEDRN COc1cc(OC)nc(CN2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)n1 ZINC001165028855 721851645 /nfs/dbraw/zinc/85/16/45/721851645.db2.gz GOEYIARTIKHAKR-UHFFFAOYSA-N 0 0 422.533 2.697 20 30 HFEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc(Cl)c4C#N)CC[C@@H]32)cs1 ZINC001164985462 722178047 /nfs/dbraw/zinc/17/80/47/722178047.db2.gz HVNJQYPCPUBFGD-JKSUJKDBSA-N 0 0 404.927 2.636 20 30 HFEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)cc4C#N)CC[C@@H]32)cs1 ZINC001164988443 722178303 /nfs/dbraw/zinc/17/83/03/722178303.db2.gz RDOXNYBITYYQTA-HOTGVXAUSA-N 0 0 404.927 2.636 20 30 HFEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)cc4C#N)CC[C@@H]32)cs1 ZINC001164988445 722178406 /nfs/dbraw/zinc/17/84/06/722178406.db2.gz RDOXNYBITYYQTA-JKSUJKDBSA-N 0 0 404.927 2.636 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc(CC#N)cc1Cl)C2 ZINC001165004846 722269777 /nfs/dbraw/zinc/26/97/77/722269777.db2.gz CXZSKKATHKTGDD-OAQYLSRUSA-N 0 0 413.884 2.868 20 30 HFEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790494620 1078043567 /nfs/dbraw/zinc/04/35/67/1078043567.db2.gz CEBKBYLBXFPTAJ-VPMFXMNOSA-N 0 0 422.551 2.778 20 30 HFEDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C(C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000792995171 1078043834 /nfs/dbraw/zinc/04/38/34/1078043834.db2.gz IXWAPPVKEQCANM-HNNXBMFYSA-N 0 0 421.450 2.984 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000790497469 1078043939 /nfs/dbraw/zinc/04/39/39/1078043939.db2.gz SYOKEVKEUXLWCC-RTAFMGCNSA-N 0 0 422.551 2.778 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000792453635 1077856282 /nfs/dbraw/zinc/85/62/82/1077856282.db2.gz KTJIOJYUJJQXGJ-JTQLQIEISA-N 0 0 404.635 2.801 20 30 HFEDRN C=CCn1c(=S)n(CN2CCO[C@H](COc3ccccc3)C2)nc1-c1cnccn1 ZINC000790466414 1078044979 /nfs/dbraw/zinc/04/49/79/1078044979.db2.gz FMQXUMYKKOKCRT-SFHVURJKSA-N 0 0 424.530 2.794 20 30 HFEDRN C=CC[C@@]1(C(=O)N[C@H](C)C(=O)NCc2ccco2)CCCN1C(=O)OC(C)(C)C ZINC000790529246 1078051334 /nfs/dbraw/zinc/05/13/34/1078051334.db2.gz XVHICQIJMFSKDR-VFNWGFHPSA-N 0 0 405.495 2.746 20 30 HFEDRN COC(=O)c1ccc(NN=Cc2c(Br)n[nH]c2Br)nc1 ZINC000793034208 1078052733 /nfs/dbraw/zinc/05/27/33/1078052733.db2.gz KLTKDKJQNVBEJQ-UHFFFAOYSA-N 0 0 403.034 2.562 20 30 HFEDRN C#CCN(C(=O)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)C1CCCC1 ZINC000793049491 1078056408 /nfs/dbraw/zinc/05/64/08/1078056408.db2.gz FSMYPLZWEULBLS-UHFFFAOYSA-N 0 0 421.469 2.733 20 30 HFEDRN Cc1c(Br)c(C)n(N=Cc2cnnn2Cc2ccccc2)c(=O)c1C#N ZINC000793052932 1078057472 /nfs/dbraw/zinc/05/74/72/1078057472.db2.gz ZFXUQNPHXWHARK-UHFFFAOYSA-N 0 0 411.263 2.621 20 30 HFEDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000793026864 1078059107 /nfs/dbraw/zinc/05/91/07/1078059107.db2.gz NQOJCHQAMMNQCX-ZDUSSCGKSA-N 0 0 407.423 2.843 20 30 HFEDRN C=CCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000790579779 1078060497 /nfs/dbraw/zinc/06/04/97/1078060497.db2.gz LIUZHXIMETZGKK-UHFFFAOYSA-N 0 0 401.326 2.930 20 30 HFEDRN COc1ccc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1C#N ZINC000746925256 1078060919 /nfs/dbraw/zinc/06/09/19/1078060919.db2.gz GGKRNKZANOZTBA-QGZVFWFLSA-N 0 0 403.479 2.599 20 30 HFEDRN C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000793065970 1078061083 /nfs/dbraw/zinc/06/10/83/1078061083.db2.gz PCWVXRZYGWHZEO-CYBMUJFWSA-N 0 0 403.454 2.538 20 30 HFEDRN C=CC[C@@]1(C(=O)NCC2N=NC(=S)N2C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000790591487 1078063114 /nfs/dbraw/zinc/06/31/14/1078063114.db2.gz QOBZMOFCXTZPOO-IBGZPJMESA-N 0 0 407.540 2.864 20 30 HFEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cnc2cc(C)nn2c1C ZINC000746924886 1078061304 /nfs/dbraw/zinc/06/13/04/1078061304.db2.gz PNCZMVPJBSHRRY-MRXNPFEDSA-N 0 0 421.457 2.847 20 30 HFEDRN Cc1nn(C)c(/C=C/C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1Br ZINC000790601924 1078064773 /nfs/dbraw/zinc/06/47/73/1078064773.db2.gz BGRUZKYKUFPJHO-CMDGGOBGSA-N 0 0 412.309 2.637 20 30 HFEDRN C=CCNC(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000746928031 1078065971 /nfs/dbraw/zinc/06/59/71/1078065971.db2.gz XXDZYMFYUXVUBO-GFCCVEGCSA-N 0 0 400.435 2.982 20 30 HFEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000780669716 1078073607 /nfs/dbraw/zinc/07/36/07/1078073607.db2.gz FGYXWDGBXRWFFZ-INIZCTEOSA-N 0 0 422.485 2.999 20 30 HFEDRN N#Cc1ccc([C@H](OC(=O)COc2ccc(Oc3ccccn3)cc2)C(N)=O)cc1 ZINC000746932147 1078070197 /nfs/dbraw/zinc/07/01/97/1078070197.db2.gz VVNKWPJRCLKESS-NRFANRHFSA-N 0 0 403.394 2.894 20 30 HFEDRN N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793127399 1078072654 /nfs/dbraw/zinc/07/26/54/1078072654.db2.gz WSJFNCVBTTUQTA-ZIAGYGMSSA-N 0 0 402.859 2.949 20 30 HFEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000793118868 1078084057 /nfs/dbraw/zinc/08/40/57/1078084057.db2.gz UGCAZARLVMHNKX-LYBHJNIJSA-N 0 0 411.487 2.799 20 30 HFEDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C1=O ZINC000790670066 1078085395 /nfs/dbraw/zinc/08/53/95/1078085395.db2.gz BYWLFDXXPNCWFJ-HSZRJFAPSA-N 0 0 417.469 2.783 20 30 HFEDRN Cc1cc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)n(CCC#N)n1 ZINC000793153198 1078091783 /nfs/dbraw/zinc/09/17/83/1078091783.db2.gz ILPWSARATDFOJO-HDICACEKSA-N 0 0 418.457 2.636 20 30 HFEDRN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000793152112 1078091788 /nfs/dbraw/zinc/09/17/88/1078091788.db2.gz CZRMGMXELIVTLN-SPUZQDLCSA-N 0 0 400.479 2.609 20 30 HFEDRN C=CC[C@]1(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790673919 1078086764 /nfs/dbraw/zinc/08/67/64/1078086764.db2.gz NIDAGLGAEMNFKS-HTAPYJJXSA-N 0 0 417.554 2.851 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OC3CCN(C(=O)OC(C)C)CC3)CC2)o1 ZINC000793140445 1078089205 /nfs/dbraw/zinc/08/92/05/1078089205.db2.gz ARYXTUMXIRAVPU-UHFFFAOYSA-N 0 0 404.467 2.624 20 30 HFEDRN 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C=CC[C@H](Cc1ccccc1)NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC001129785931 1078496649 /nfs/dbraw/zinc/49/66/49/1078496649.db2.gz KLGONFZXXAVHLL-DLBZAZTESA-N 0 0 404.557 2.891 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC000804457467 1078499370 /nfs/dbraw/zinc/49/93/70/1078499370.db2.gz XKBCFEBVTICLTA-GOSISDBHSA-N 0 0 414.452 2.996 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000804459338 1078500556 /nfs/dbraw/zinc/50/05/56/1078500556.db2.gz MSPRYVYGPGLLQL-CLOONOSVSA-N 0 0 415.493 2.736 20 30 HFEDRN C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC001129804480 1078500858 /nfs/dbraw/zinc/50/08/58/1078500858.db2.gz FKFUZFPWLXGABC-ZDUSSCGKSA-N 0 0 417.453 2.664 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000804460105 1078500987 /nfs/dbraw/zinc/50/09/87/1078500987.db2.gz TVCWTSABIFRHCB-RZUBCFFCSA-N 0 0 406.530 2.859 20 30 HFEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C 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CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(C#N)cc2Br)C1 ZINC001137632712 1078571395 /nfs/dbraw/zinc/57/13/95/1078571395.db2.gz JYSXMQIWAVGQRU-HUUCEWRRSA-N 0 0 410.312 2.781 20 30 HFEDRN C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC001129591137 1078586278 /nfs/dbraw/zinc/58/62/78/1078586278.db2.gz ROWMNQXDEUZJHV-LBPRGKRZSA-N 0 0 419.279 2.739 20 30 HFEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804755728 1078586475 /nfs/dbraw/zinc/58/64/75/1078586475.db2.gz UADMHGIJLLWYTN-UHFFFAOYSA-N 0 0 401.507 2.574 20 30 HFEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000804560140 1078595438 /nfs/dbraw/zinc/59/54/38/1078595438.db2.gz SSNNYKWQNYQETE-QHCPKHFHSA-N 0 0 423.517 2.836 20 30 HFEDRN C=CCc1cc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc(OC)c1OC ZINC001129632257 1078606515 /nfs/dbraw/zinc/60/65/15/1078606515.db2.gz OHBNBHZMZBIIJP-SFHVURJKSA-N 0 0 405.491 2.578 20 30 HFEDRN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000804575964 1078618320 /nfs/dbraw/zinc/61/83/20/1078618320.db2.gz XUZOMUSLLKXWAV-YJBOKZPZSA-N 0 0 416.497 2.897 20 30 HFEDRN N#CCNC(=O)CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC000804821272 1078662049 /nfs/dbraw/zinc/66/20/49/1078662049.db2.gz IRQPXQIUOGQAHS-UHFFFAOYSA-N 0 0 423.654 2.659 20 30 HFEDRN CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000804613649 1078664015 /nfs/dbraw/zinc/66/40/15/1078664015.db2.gz NOSNRNPNPQXMTK-UGKGYDQZSA-N 0 0 420.488 2.783 20 30 HFEDRN Cc1nsc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C#N ZINC001129711572 1078668007 /nfs/dbraw/zinc/66/80/07/1078668007.db2.gz RKUFPIMHKIHBSG-UHFFFAOYSA-N 0 0 418.544 2.703 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000804833584 1078674001 /nfs/dbraw/zinc/67/40/01/1078674001.db2.gz BBZYVPYRBRJXGY-IBGZPJMESA-N 0 0 411.550 2.963 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000804834143 1078675377 /nfs/dbraw/zinc/67/53/77/1078675377.db2.gz 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CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccn(CC)n1 ZINC001129742792 1078715700 /nfs/dbraw/zinc/71/57/00/1078715700.db2.gz SLJDOYNFSWUSCR-UHFFFAOYSA-N 0 0 407.268 2.631 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000804905075 1078728581 /nfs/dbraw/zinc/72/85/81/1078728581.db2.gz KZURQVYSMPADPF-SFHVURJKSA-N 0 0 419.934 2.552 20 30 HFEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2ccc(C(F)(F)F)cn2)C1=O ZINC000804906578 1078729011 /nfs/dbraw/zinc/72/90/11/1078729011.db2.gz PXCNPRRSPLWWOQ-GOSISDBHSA-N 0 0 402.332 2.622 20 30 HFEDRN N#Cc1cccc(OCCCN2C(=O)c3ccc(Br)cc3S2(=O)=O)c1 ZINC000804921187 1078743035 /nfs/dbraw/zinc/74/30/35/1078743035.db2.gz ZVQCAYLIKSXLMM-UHFFFAOYSA-N 0 0 421.272 2.934 20 30 HFEDRN Cn1ncc(Cn2c(-c3ccc(C#N)cc3)csc2=NCCc2ccccn2)n1 ZINC000804890080 1078749002 /nfs/dbraw/zinc/74/90/02/1078749002.db2.gz LCLDATHMBYNPNA-UHFFFAOYSA-N 0 0 401.499 2.803 20 30 HFEDRN CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(C#N)cn1CC ZINC001130010966 1078761034 /nfs/dbraw/zinc/76/10/34/1078761034.db2.gz QKVVCFUINPZZDQ-UHFFFAOYSA-N 0 0 417.487 2.991 20 30 HFEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccc(C#N)cc1F ZINC000804945556 1078773117 /nfs/dbraw/zinc/77/31/17/1078773117.db2.gz IYQSIQPPDZYTST-HSZRJFAPSA-N 0 0 419.412 2.906 20 30 HFEDRN CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(C#N)o1)Cc1cccnc1 ZINC000804958118 1078798723 /nfs/dbraw/zinc/79/87/23/1078798723.db2.gz JXOWKYFTUIGWGW-UHFFFAOYSA-N 0 0 420.491 2.652 20 30 HFEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1nc(C(F)(F)F)no1 ZINC001130030148 1078803218 /nfs/dbraw/zinc/80/32/18/1078803218.db2.gz QZSRKKZNDHEZCG-SNVBAGLBSA-N 0 0 416.381 2.657 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000804978419 1078813563 /nfs/dbraw/zinc/81/35/63/1078813563.db2.gz SBWJJGVKXLCHIC-GOEBONIOSA-N 0 0 409.508 2.951 20 30 HFEDRN N#Cc1nc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1Br ZINC001130036055 1078818122 /nfs/dbraw/zinc/81/81/22/1078818122.db2.gz DDEYJNAAOYZTHM-UHFFFAOYSA-N 0 0 413.231 2.731 20 30 HFEDRN C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC001130036307 1078818478 /nfs/dbraw/zinc/81/84/78/1078818478.db2.gz HQRYGYWWPKBOFF-LLVKDONJSA-N 0 0 403.364 2.993 20 30 HFEDRN COC(=O)c1ccc(OS(=O)(=O)c2cccc(Br)c2C#N)c(C=O)c1 ZINC000804985856 1078821628 /nfs/dbraw/zinc/82/16/28/1078821628.db2.gz HZMGLGYWKSFICP-UHFFFAOYSA-N 0 0 424.228 2.688 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000805013701 1078824441 /nfs/dbraw/zinc/82/44/41/1078824441.db2.gz DWTZIBGOXWHCOJ-JOCHJYFZSA-N 0 0 420.557 2.751 20 30 HFEDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805027421 1078839723 /nfs/dbraw/zinc/83/97/23/1078839723.db2.gz LTKCIBCWZMQOQI-IRXDYDNUSA-N 0 0 402.470 2.651 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)[C@@H](C#N)C1 ZINC000805028143 1078841563 /nfs/dbraw/zinc/84/15/63/1078841563.db2.gz YSSHFLMJOWOCMM-ZDUSSCGKSA-N 0 0 401.435 2.758 20 30 HFEDRN C#CCCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 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0 0 407.879 2.656 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)C2)c(F)c1 ZINC000805587393 1079163515 /nfs/dbraw/zinc/16/35/15/1079163515.db2.gz LVZFPYPODDVXEF-KRWDZBQOSA-N 0 0 421.428 2.834 20 30 HFEDRN COC(=O)CCC(=O)COC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805595959 1079171181 /nfs/dbraw/zinc/17/11/81/1079171181.db2.gz FCSONTRQAQUCFR-UHFFFAOYSA-N 0 0 406.866 2.884 20 30 HFEDRN CC1(C(=O)OCC(=O)NC[C@H]2CCCO2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805597249 1079171850 /nfs/dbraw/zinc/17/18/50/1079171850.db2.gz GSQZGYSQYHWAKB-QGZVFWFLSA-N 0 0 419.909 2.657 20 30 HFEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)COC(=O)C(=O)c2cccn2C)c1C#N ZINC000805649451 1079202157 /nfs/dbraw/zinc/20/21/57/1079202157.db2.gz YFSAWBVIUFPMSS-UHFFFAOYSA-N 0 0 422.416 2.808 20 30 HFEDRN C#CC[C@@H](NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000805233755 1079208507 /nfs/dbraw/zinc/20/85/07/1079208507.db2.gz CKZGOHDRCPEUGV-FUHWJXTLSA-N 0 0 417.556 2.823 20 30 HFEDRN CC(C)(C)OC(=O)NCCN(CC(=O)Nc1cccc(C#N)n1)Cc1ccccc1 ZINC001130316281 1079209882 /nfs/dbraw/zinc/20/98/82/1079209882.db2.gz IUCMHJXQIKGQOG-UHFFFAOYSA-N 0 0 409.490 2.919 20 30 HFEDRN N#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccn1 ZINC001130347218 1079235032 /nfs/dbraw/zinc/23/50/32/1079235032.db2.gz XEKWDLNGSVNRCZ-UHFFFAOYSA-N 0 0 404.879 2.690 20 30 HFEDRN C#C[C@@H](NC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccc(Cl)cc1F ZINC000805774883 1079248373 /nfs/dbraw/zinc/24/83/73/1079248373.db2.gz ADBVZPHCTJGWSG-QGZVFWFLSA-N 0 0 415.918 2.609 20 30 HFEDRN C#C[C@H](NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)cc1F ZINC000805777575 1079248828 /nfs/dbraw/zinc/24/88/28/1079248828.db2.gz IOEAAMFCUKHQNX-IBGZPJMESA-N 0 0 414.868 2.784 20 30 HFEDRN C#C[C@@H](NC(=O)NCCNC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1F ZINC000805776193 1079248843 /nfs/dbraw/zinc/24/88/43/1079248843.db2.gz PGDYLHUUBZTEQW-GOSISDBHSA-N 0 0 403.841 2.891 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000805784352 1079251581 /nfs/dbraw/zinc/25/15/81/1079251581.db2.gz KJPDJGKRGJHBRT-UNMCSNQZSA-N 0 0 400.482 2.987 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000805784234 1079251749 /nfs/dbraw/zinc/25/17/49/1079251749.db2.gz IMCKYQNZBGUMLR-QFIPXVFZSA-N 0 0 419.525 2.920 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccncc1 ZINC000805807843 1079284201 /nfs/dbraw/zinc/28/42/01/1079284201.db2.gz NXKIIQVIKGQVIH-SFTDATJTSA-N 0 0 411.477 2.926 20 30 HFEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000805852714 1079302743 /nfs/dbraw/zinc/30/27/43/1079302743.db2.gz ASYFPGZGXRHNIQ-MAUKXSAKSA-N 0 0 406.417 2.880 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)Oc3ccccc3C(=O)N3CCOCC3)C2)c(F)c1 ZINC000805853980 1079303906 /nfs/dbraw/zinc/30/39/06/1079303906.db2.gz SCAGADRJJPGEQY-KRWDZBQOSA-N 0 0 423.444 2.602 20 30 HFEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H](C)n2ccc3ccccc3c2=O)cc1 ZINC000805859130 1079306675 /nfs/dbraw/zinc/30/66/75/1079306675.db2.gz 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1076778146 /nfs/dbraw/zinc/77/81/46/1076778146.db2.gz ONNRUGIKYFIKAG-GFCCVEGCSA-N 0 0 403.385 2.662 20 30 HFEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](CC2CCC2)NC(C)=O)nc1C ZINC000787341103 1076784714 /nfs/dbraw/zinc/78/47/14/1076784714.db2.gz KZIJYGQNUOCXGE-CYBMUJFWSA-N 0 0 420.564 2.818 20 30 HFEDRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000787346348 1076788644 /nfs/dbraw/zinc/78/86/44/1076788644.db2.gz BPRDAWVBEZTTIN-YLJYHZDGSA-N 0 0 412.534 2.671 20 30 HFEDRN C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000787348804 1076789704 /nfs/dbraw/zinc/78/97/04/1076789704.db2.gz IZJGSOYSZVDYJS-YJBOKZPZSA-N 0 0 414.506 2.641 20 30 HFEDRN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000787349279 1076790775 /nfs/dbraw/zinc/79/07/75/1076790775.db2.gz KTMXNTKPEMIKOG-HZPDHXFCSA-N 0 0 420.469 2.912 20 30 HFEDRN COc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1C#N ZINC000746681424 1076811641 /nfs/dbraw/zinc/81/16/41/1076811641.db2.gz ZGPNHZPTCXSQOX-UHFFFAOYSA-N 0 0 406.261 2.680 20 30 HFEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000787492840 1076824932 /nfs/dbraw/zinc/82/49/32/1076824932.db2.gz ZQZIHASVBBDSPK-UHFFFAOYSA-N 0 0 403.486 2.797 20 30 HFEDRN C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000787493690 1076825329 /nfs/dbraw/zinc/82/53/29/1076825329.db2.gz IDHWPZJSPUAOHX-UHFFFAOYSA-N 0 0 421.497 2.742 20 30 HFEDRN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NC1(C#N)CCC1 ZINC000787550962 1076856099 /nfs/dbraw/zinc/85/60/99/1076856099.db2.gz OIPINNBWNPPLIV-LLVKDONJSA-N 0 0 419.890 2.779 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)c3nnnn3C3CCCCC3)cc2C1=O ZINC000787553398 1076857141 /nfs/dbraw/zinc/85/71/41/1076857141.db2.gz OQPBTJGHNWHXLH-CYBMUJFWSA-N 0 0 409.446 2.878 20 30 HFEDRN C=CCn1c2nnc(SCC(=O)OCCC(C)(C)OC)n2c2ccccc2c1=O ZINC000787558529 1076864036 /nfs/dbraw/zinc/86/40/36/1076864036.db2.gz GUXIIKCXTSMCSV-UHFFFAOYSA-N 0 0 416.503 2.681 20 30 HFEDRN 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1076878379 /nfs/dbraw/zinc/87/83/79/1076878379.db2.gz WGCTVAROFUSAMX-OAHLLOKOSA-N 0 0 414.731 2.618 20 30 HFEDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787626533 1076883000 /nfs/dbraw/zinc/88/30/00/1076883000.db2.gz SYJLSFWSYJYTPZ-LBPRGKRZSA-N 0 0 400.460 2.875 20 30 HFEDRN C=CCCN(OCc1ccccc1)C(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000787629384 1076883114 /nfs/dbraw/zinc/88/31/14/1076883114.db2.gz ZPEVMIDTKAKLPP-UHFFFAOYSA-N 0 0 407.514 2.697 20 30 HFEDRN C[C@H](OC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000787629861 1076883629 /nfs/dbraw/zinc/88/36/29/1076883629.db2.gz XEIYXGTZZSEHSQ-LBPRGKRZSA-N 0 0 406.364 2.999 20 30 HFEDRN Cc1cscc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000787603493 1076889128 /nfs/dbraw/zinc/88/91/28/1076889128.db2.gz NAQNWNLMXUQILH-UHFFFAOYSA-N 0 0 405.545 2.972 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787647719 1076897006 /nfs/dbraw/zinc/89/70/06/1076897006.db2.gz QOYZREGFUQYSTD-BZNIZROVSA-N 0 0 405.813 2.558 20 30 HFEDRN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000787650659 1076897971 /nfs/dbraw/zinc/89/79/71/1076897971.db2.gz NNADYDQWDJQJED-OAQYLSRUSA-N 0 0 412.449 2.510 20 30 HFEDRN N#Cc1cnn(-c2ccc(C(=O)OCCOCC(F)(F)C(F)(F)F)cc2)c1N ZINC000787657025 1076900245 /nfs/dbraw/zinc/90/02/45/1076900245.db2.gz KLVNXJDKAFJAAA-UHFFFAOYSA-N 0 0 404.295 2.697 20 30 HFEDRN Cc1c(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cccc1N1CCOC1=O ZINC000787657658 1076901202 /nfs/dbraw/zinc/90/12/02/1076901202.db2.gz RFOQCVXNANCWCO-SFHVURJKSA-N 0 0 404.426 2.566 20 30 HFEDRN C[C@@H](OC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787720610 1076907846 /nfs/dbraw/zinc/90/78/46/1076907846.db2.gz CXLHFVUOCIPTEC-WBVHZDCISA-N 0 0 415.490 2.789 20 30 HFEDRN C[C@H](OC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787720601 1076907854 /nfs/dbraw/zinc/90/78/54/1076907854.db2.gz CXLHFVUOCIPTEC-DOTOQJQBSA-N 0 0 415.490 2.789 20 30 HFEDRN 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417.513 2.666 20 30 HFEDRN Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000787818828 1076953192 /nfs/dbraw/zinc/95/31/92/1076953192.db2.gz CZHQSHABQSAEND-HUUCEWRRSA-N 0 0 405.882 2.730 20 30 HFEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1C#N ZINC000787837136 1076958854 /nfs/dbraw/zinc/95/88/54/1076958854.db2.gz ZFJKELIUXRIGPQ-HOTGVXAUSA-N 0 0 414.506 2.865 20 30 HFEDRN N#Cc1c(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)sc2c1CCCCC2 ZINC000787840090 1076959773 /nfs/dbraw/zinc/95/97/73/1076959773.db2.gz JRXIUJCCDWBMIS-QWHCGFSZSA-N 0 0 403.504 2.662 20 30 HFEDRN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787872389 1076968718 /nfs/dbraw/zinc/96/87/18/1076968718.db2.gz FMBPRXDWNVYKFW-OAQYLSRUSA-N 0 0 403.479 2.923 20 30 HFEDRN CC(C)(C)OC(=O)NCc1cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000787873490 1076969759 /nfs/dbraw/zinc/96/97/59/1076969759.db2.gz JPJSZKNSBGHKEQ-NRFANRHFSA-N 0 0 401.463 2.677 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 ZINC000787873716 1076970558 /nfs/dbraw/zinc/97/05/58/1076970558.db2.gz GCUBMRXHCYQIDP-INIZCTEOSA-N 0 0 401.850 2.556 20 30 HFEDRN COc1cc([C@@H](C)NC(=O)C(=O)NCc2cc(C#N)ccc2F)ccc1OC(C)C ZINC000787881554 1076974891 /nfs/dbraw/zinc/97/48/91/1076974891.db2.gz WTLYDYUUPIYBPQ-CQSZACIVSA-N 0 0 413.449 2.987 20 30 HFEDRN COc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1C#N ZINC000746711210 1076978258 /nfs/dbraw/zinc/97/82/58/1076978258.db2.gz QWGBWVRVGKYTNY-UHFFFAOYSA-N 0 0 416.459 2.872 20 30 HFEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(N(C)C(C)=O)cc2)C1=O ZINC000787864297 1076986013 /nfs/dbraw/zinc/98/60/13/1076986013.db2.gz LQMQRDUQWVJEMX-OAQYLSRUSA-N 0 0 402.495 2.985 20 30 HFEDRN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)C1=O ZINC000787864971 1076986589 /nfs/dbraw/zinc/98/65/89/1076986589.db2.gz OVZZDDWQZIEQLJ-VGSWGCGISA-N 0 0 414.506 2.558 20 30 HFEDRN COc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1C#N 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SONUXRNTTSDOGM-UHFFFAOYSA-N 0 0 402.505 2.687 20 30 HFEDRN CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000788028338 1077034835 /nfs/dbraw/zinc/03/48/35/1077034835.db2.gz VYXCTMYDZBINJY-UHFFFAOYSA-N 0 0 408.896 2.737 20 30 HFEDRN CS(=O)(=O)CCSc1cc(Br)ccc1C=NOC[C@H]1CCOC1 ZINC000788033787 1077035393 /nfs/dbraw/zinc/03/53/93/1077035393.db2.gz LVEQBNMYOFQWOZ-LBPRGKRZSA-N 0 0 422.366 2.973 20 30 HFEDRN Cc1nn(C)c(N2CCN(Cn3nc(C)n(-c4ccccc4C)c3=S)CC2)c1C#N ZINC000788044436 1077039459 /nfs/dbraw/zinc/03/94/59/1077039459.db2.gz NDCDQPSVTAEMCJ-UHFFFAOYSA-N 0 0 422.562 2.713 20 30 HFEDRN Cc1nn(C)c(N2CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC2)c1C#N ZINC000788043850 1077039487 /nfs/dbraw/zinc/03/94/87/1077039487.db2.gz FXSIORLGTNADKO-UHFFFAOYSA-N 0 0 413.463 2.565 20 30 HFEDRN C#C[C@@H](CC)Oc1ccc(COC(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1 ZINC000788061516 1077045752 /nfs/dbraw/zinc/04/57/52/1077045752.db2.gz PBVGSJVENVRWSM-INIZCTEOSA-N 0 0 412.467 2.885 20 30 HFEDRN 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CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)NCc2cccc(C#N)c2)CCCCC1 ZINC000746748757 1077197445 /nfs/dbraw/zinc/19/74/45/1077197445.db2.gz ISDSPYGXGGVMQI-UHFFFAOYSA-N 0 0 415.490 2.945 20 30 HFEDRN COC(=O)c1sc(S(=O)(=O)N(CCC#N)CC(F)(F)F)c(C)c1Cl ZINC000788552858 1077198238 /nfs/dbraw/zinc/19/82/38/1077198238.db2.gz ROVGROWEEOCIDZ-UHFFFAOYSA-N 0 0 404.819 2.963 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)n1 ZINC000788557746 1077200833 /nfs/dbraw/zinc/20/08/33/1077200833.db2.gz OAJVBPWOTLDCIX-INIZCTEOSA-N 0 0 412.490 2.919 20 30 HFEDRN N#Cc1c(N2CCC(COc3ccc(Cl)nc3)CC2)cccc1S(N)(=O)=O ZINC000788558802 1077201154 /nfs/dbraw/zinc/20/11/54/1077201154.db2.gz CMNHISIJKGRPPK-UHFFFAOYSA-N 0 0 406.895 2.549 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)CC2)o1 ZINC000788534503 1077205421 /nfs/dbraw/zinc/20/54/21/1077205421.db2.gz PKZLWBUBDUEWCQ-LJQANCHMSA-N 0 0 422.485 2.808 20 30 HFEDRN COCC1(C)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 ZINC000788576517 1077211228 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HFEDRN N#Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1F ZINC000790904582 1077243301 /nfs/dbraw/zinc/24/33/01/1077243301.db2.gz GAFOJJAWSIQGHJ-UHFFFAOYSA-N 0 0 416.352 2.800 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)n1 ZINC000788641494 1077244479 /nfs/dbraw/zinc/24/44/79/1077244479.db2.gz QGJGSKBQJVSLPE-UHFFFAOYSA-N 0 0 404.854 2.776 20 30 HFEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000790944333 1077249997 /nfs/dbraw/zinc/24/99/97/1077249997.db2.gz FOGYXVKWMSQCFV-JTQLQIEISA-N 0 0 410.787 2.766 20 30 HFEDRN C=CC[C@@]1(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790950629 1077252219 /nfs/dbraw/zinc/25/22/19/1077252219.db2.gz QRLWJJWZAZOANY-VGSWGCGISA-N 0 0 409.571 2.636 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)Nc2cnc(C(F)(F)F)cc2OC)n1 ZINC000788690552 1077252444 /nfs/dbraw/zinc/25/24/44/1077252444.db2.gz WBOUVBCTQZWSHJ-UHFFFAOYSA-N 0 0 411.384 2.619 20 30 HFEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790952591 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ZINC000790117488 1077943821 /nfs/dbraw/zinc/94/38/21/1077943821.db2.gz MDPZYNQQBZYOGX-UHFFFAOYSA-N 0 0 422.428 2.590 20 30 HFEDRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1C#N ZINC000746878833 1077948729 /nfs/dbraw/zinc/94/87/29/1077948729.db2.gz WKFPCUPMYXWKNM-LJQANCHMSA-N 0 0 421.497 2.891 20 30 HFEDRN COC(=O)[C@@](C)(NC(=O)C(F)(F)c1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC001170357550 1077949304 /nfs/dbraw/zinc/94/93/04/1077949304.db2.gz RDQORYDYDCXWTR-SFHVURJKSA-N 0 0 403.341 2.763 20 30 HFEDRN CC(CN1Cc2ccccc2C1)N=Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000792635954 1077949610 /nfs/dbraw/zinc/94/96/10/1077949610.db2.gz MGQDDXXBGRMCNH-UHFFFAOYSA-N 0 0 414.531 2.511 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cnc(SC)n2-c2ccccc2)n1 ZINC000790104578 1077950157 /nfs/dbraw/zinc/95/01/57/1077950157.db2.gz RKPDAKGRLLMQAA-UHFFFAOYSA-N 0 0 409.515 2.713 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3cnc4ccccc43)nc2)n1 ZINC000790105104 1077950809 /nfs/dbraw/zinc/95/08/09/1077950809.db2.gz CXXAXGFVDBZVDR-UHFFFAOYSA-N 0 0 414.469 2.539 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccsc2NC(=O)c2ccco2)n1 ZINC000790105028 1077950812 /nfs/dbraw/zinc/95/08/12/1077950812.db2.gz OVCKXDXJWFAEAP-UHFFFAOYSA-N 0 0 412.471 2.712 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)[C@H](C#N)C1 ZINC001170128740 1077951370 /nfs/dbraw/zinc/95/13/70/1077951370.db2.gz RQNWAPISRSGOSS-CYBMUJFWSA-N 0 0 403.870 2.934 20 30 HFEDRN CCOC(=O)CCc1c2cccc(N[C@H](C#N)C(=O)OCC)c2[nH]c1C(=O)OCC ZINC001170370025 1077951591 /nfs/dbraw/zinc/95/15/91/1077951591.db2.gz AAVZEWVGCYMAAI-MRXNPFEDSA-N 0 0 415.446 2.707 20 30 HFEDRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NC[C@H]1CCCN(CC#N)C1)c1ccc(F)cc1 ZINC000792644970 1077952623 /nfs/dbraw/zinc/95/26/23/1077952623.db2.gz XXMVVUKLOCPIDI-VQIMIIECSA-N 0 0 418.513 2.786 20 30 HFEDRN N#Cc1ccc(NCCNS(=O)(=O)c2cccc(Br)c2Cl)nc1 ZINC000790145135 1077956271 /nfs/dbraw/zinc/95/62/71/1077956271.db2.gz SDWRBXMCKWJMPU-UHFFFAOYSA-N 0 0 415.700 2.760 20 30 HFEDRN CC(C)(C)OC(=O)N1CCc2ncn(CCOc3ccccc3C#N)c(=O)c2CC1 ZINC000792666097 1077959030 /nfs/dbraw/zinc/95/90/30/1077959030.db2.gz WOHXSCZEQMIBFA-UHFFFAOYSA-N 0 0 410.474 2.530 20 30 HFEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000792653910 1077959474 /nfs/dbraw/zinc/95/94/74/1077959474.db2.gz JVBQZRCGOZFVLJ-IBGZPJMESA-N 0 0 414.421 2.986 20 30 HFEDRN C/C(=C\C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000792658631 1077961242 /nfs/dbraw/zinc/96/12/42/1077961242.db2.gz MOKDXGQXQYXVEU-IURSYISVSA-N 0 0 404.426 2.787 20 30 HFEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1 ZINC000792661347 1077962213 /nfs/dbraw/zinc/96/22/13/1077962213.db2.gz JMRPIRZBIANAKJ-CQSZACIVSA-N 0 0 419.528 2.556 20 30 HFEDRN O=S(=O)(c1ccccc1N=NCc1ccc(OCC2CC2)cc1)N1CCOCC1 ZINC000790168407 1077964299 /nfs/dbraw/zinc/96/42/99/1077964299.db2.gz UCLYXTLRLJJZSP-UHFFFAOYSA-N 0 0 415.515 2.942 20 30 HFEDRN COCCN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccn3)nc3c2CCC3)cn1 ZINC000790168228 1077964352 /nfs/dbraw/zinc/96/43/52/1077964352.db2.gz OMBLAAWOBZLLJM-UHFFFAOYSA-N 0 0 403.490 2.951 20 30 HFEDRN COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)cc1C#N ZINC000746887232 1077973515 /nfs/dbraw/zinc/97/35/15/1077973515.db2.gz PPUYEFKEWLPHLZ-UHFFFAOYSA-N 0 0 415.515 2.559 20 30 HFEDRN C=CCn1c(-c2cccs2)nn(CN2CC(=O)N(CC(F)(F)F)C2)c1=S ZINC000792719081 1077973626 /nfs/dbraw/zinc/97/36/26/1077973626.db2.gz PODDRNYKMHYWAL-UHFFFAOYSA-N 0 0 403.455 2.950 20 30 HFEDRN COC1(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCOCC1 ZINC000792717694 1077973664 /nfs/dbraw/zinc/97/36/64/1077973664.db2.gz HKNKMRCJRVCUIU-UHFFFAOYSA-N 0 0 403.479 2.769 20 30 HFEDRN C=CC[C@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C ZINC000790261686 1077973922 /nfs/dbraw/zinc/97/39/22/1077973922.db2.gz MTHLBJOKSRNBSQ-OAQYLSRUSA-N 0 0 403.479 2.835 20 30 HFEDRN Cc1cccc(S(=O)(=O)N(C)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1C#N ZINC000792707149 1077979476 /nfs/dbraw/zinc/97/94/76/1077979476.db2.gz XKZLXWBVCXDZHU-UHFFFAOYSA-N 0 0 421.544 2.721 20 30 HFEDRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1cc[nH]c(=O)c1 ZINC000790281060 1077983692 /nfs/dbraw/zinc/98/36/92/1077983692.db2.gz BITONXGHILRYKP-UHFFFAOYSA-N 0 0 407.452 2.562 20 30 HFEDRN C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cnn(CC)c1 ZINC000790285484 1077985527 /nfs/dbraw/zinc/98/55/27/1077985527.db2.gz RASIHAMOZZSVMT-OAHLLOKOSA-N 0 0 413.507 2.620 20 30 HFEDRN C=CC[C@@]1(C(=O)N2CCC[C@H](c3nncn3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790293766 1077987901 /nfs/dbraw/zinc/98/79/01/1077987901.db2.gz YTOYDWUFPQRDQM-KKSFZXQISA-N 0 0 403.527 2.867 20 30 HFEDRN C=CC[C@]1(C(=O)N2CCC[C@H](c3nncn3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790293763 1077987962 /nfs/dbraw/zinc/98/79/62/1077987962.db2.gz YTOYDWUFPQRDQM-HRAATJIYSA-N 0 0 403.527 2.867 20 30 HFEDRN C=CC[C@]1(C(=O)NCC(=O)NCc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000790295540 1077988652 /nfs/dbraw/zinc/98/86/52/1077988652.db2.gz JFQVJSHSHJBDCR-JOCHJYFZSA-N 0 0 401.507 2.765 20 30 HFEDRN COc1cc(-c2nnc(SCc3ccc(C#N)c(F)c3)n2N)cc(OC)c1OC ZINC000790266067 1077990584 /nfs/dbraw/zinc/99/05/84/1077990584.db2.gz DSXLPWHPVRQREN-UHFFFAOYSA-N 0 0 415.450 2.988 20 30 HFEDRN COc1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1Cl ZINC000790274641 1077993398 /nfs/dbraw/zinc/99/33/98/1077993398.db2.gz RNLKUFOWKVMAMZ-CJLVFECKSA-N 0 0 422.894 2.809 20 30 HFEDRN C[C@H](OC(=O)[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000792796079 1077994154 /nfs/dbraw/zinc/99/41/54/1077994154.db2.gz IWPNLUXAEOUWIN-WHEQGISXSA-N 0 0 410.495 2.899 20 30 HFEDRN C[C@@H](OC(=O)[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000792796074 1077994162 /nfs/dbraw/zinc/99/41/62/1077994162.db2.gz IWPNLUXAEOUWIN-MCMMXHMISA-N 0 0 410.495 2.899 20 30 HFEDRN N#Cc1ccc(N2CCN(C(=O)c3cnc(Br)c(Cl)c3)CC2)nc1 ZINC000790328865 1077997907 /nfs/dbraw/zinc/99/79/07/1077997907.db2.gz VAJCNPJAZBFLRW-UHFFFAOYSA-N 0 0 406.671 2.727 20 30 HFEDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790308591 1078000052 /nfs/dbraw/zinc/00/00/52/1078000052.db2.gz IOHOMCXMPXPRNR-SNVBAGLBSA-N 0 0 415.834 2.698 20 30 HFEDRN N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)/C=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000792783990 1078000549 /nfs/dbraw/zinc/00/05/49/1078000549.db2.gz GURJHMQWXNGNFB-LEVJEWGPSA-N 0 0 415.902 2.903 20 30 HFEDRN C[C@@H](c1ccccc1)n1c(=O)c(=Cc2ccnn2-c2ccccc2)sc1=C(C#N)C#N ZINC000790360605 1078004251 /nfs/dbraw/zinc/00/42/51/1078004251.db2.gz KTBBVNXOWHLDHH-KRWDZBQOSA-N 0 0 423.501 2.731 20 30 HFEDRN Cc1cc(C)cc(-n2c(=O)c(=Cc3ccnn3-c3ccccc3)sc2=C(C#N)C#N)c1 ZINC000790361563 1078004458 /nfs/dbraw/zinc/00/44/58/1078004458.db2.gz WUDSTVABAHZLPP-UHFFFAOYSA-N 0 0 423.501 2.728 20 30 HFEDRN Cc1cccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1C#N ZINC000790383860 1078010193 /nfs/dbraw/zinc/01/01/93/1078010193.db2.gz KPIDIIZYSVYAGT-GJZGRUSLSA-N 0 0 411.499 2.835 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC000790370527 1078016732 /nfs/dbraw/zinc/01/67/32/1078016732.db2.gz OXYYGFGEBFCSMT-UHFFFAOYSA-N 0 0 422.260 2.976 20 30 HFEDRN CCOC(=O)c1nn(C)cc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000792884518 1078016857 /nfs/dbraw/zinc/01/68/57/1078016857.db2.gz JRLLLUMYLCLHTG-TWGQIWQCSA-N 0 0 412.414 2.532 20 30 HFEDRN CN([C@@H]1CCN(CC(F)(F)F)C1=O)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000790374832 1078017877 /nfs/dbraw/zinc/01/78/77/1078017877.db2.gz ZRSCWNQZJJYGMO-LLVKDONJSA-N 0 0 422.322 2.628 20 30 HFEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1 ZINC000790375393 1078018225 /nfs/dbraw/zinc/01/82/25/1078018225.db2.gz MUAYPBMGPUYNML-UHFFFAOYSA-N 0 0 423.423 2.605 20 30 HFEDRN C=CCN1CC[C@H](OC(=O)c2cc(I)c(F)cc2F)C1=O ZINC000798637617 1078020892 /nfs/dbraw/zinc/02/08/92/1078020892.db2.gz FTSQLAVIOJYCDN-LBPRGKRZSA-N 0 0 407.154 2.513 20 30 HFEDRN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCOc1ccccc1C#N ZINC000792908818 1078021154 /nfs/dbraw/zinc/02/11/54/1078021154.db2.gz TWUJVFNZXMOUNS-SFHVURJKSA-N 0 0 411.506 2.965 20 30 HFEDRN C#CCn1c(=O)c(=Cc2ccsc2Cl)sc1=C(C#N)C(=O)C(CC)CC ZINC000790428176 1078024217 /nfs/dbraw/zinc/02/42/17/1078024217.db2.gz RDQAFZPSADVJIY-UHFFFAOYSA-N 0 0 404.944 2.766 20 30 HFEDRN C=CCn1c(COc2ccccc2)nn(CN2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790461320 1078027740 /nfs/dbraw/zinc/02/77/40/1078027740.db2.gz RJTPQRZBYVDDLF-QGZVFWFLSA-N 0 0 413.547 2.833 20 30 HFEDRN CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NNc2ccc(-n3cccn3)nn2)on1 ZINC000792976922 1078031047 /nfs/dbraw/zinc/03/10/47/1078031047.db2.gz FYYVADIQXPRMBP-UHFFFAOYSA-N 0 0 412.454 2.856 20 30 HFEDRN O=S(=O)(NC1CC1)c1ccc(N=NC(C[C@@H]2CCOC2)c2ccc(F)cc2)nc1 ZINC000792960989 1078036582 /nfs/dbraw/zinc/03/65/82/1078036582.db2.gz BRDYQBUWRZECPJ-AWEZNQCLSA-N 0 0 418.494 2.904 20 30 HFEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2ccc3ccccc3c2=O)C1=O ZINC000790478263 1078040549 /nfs/dbraw/zinc/04/05/49/1078040549.db2.gz MRQOTDGPSBNBKE-JOCHJYFZSA-N 0 0 412.490 2.704 20 30 HFEDRN CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1cnnn1Cc1ccccc1 ZINC000792985665 1078040758 /nfs/dbraw/zinc/04/07/58/1078040758.db2.gz KHJLNTCHOGVNQC-UHFFFAOYSA-N 0 0 412.519 2.849 20 30 HFEDRN COc1cccc(Cl)c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000790486788 1078042416 /nfs/dbraw/zinc/04/24/16/1078042416.db2.gz NXJNHXCSJQEQGG-IUODEOHRSA-N 0 0 408.886 2.907 20 30 HFEDRN COc1cccc(Cl)c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000790486789 1078042568 /nfs/dbraw/zinc/04/25/68/1078042568.db2.gz NXJNHXCSJQEQGG-SWLSCSKDSA-N 0 0 408.886 2.907 20 30 HFEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000806220320 1079505409 /nfs/dbraw/zinc/50/54/09/1079505409.db2.gz YUNGUUKNILYLEN-OEAKJJBVSA-N 0 0 418.441 2.963 20 30 HFEDRN Cc1cnc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)o1 ZINC000806223599 1079507500 /nfs/dbraw/zinc/50/75/00/1079507500.db2.gz ZVJSROUDQAVYPL-QJOMJCCJSA-N 0 0 419.507 2.898 20 30 HFEDRN CN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)[C@@H]1CCCOC1 ZINC000806225859 1079508219 /nfs/dbraw/zinc/50/82/19/1079508219.db2.gz XCQKVUVNKPDJIK-LLWUOSFCSA-N 0 0 422.551 2.922 20 30 HFEDRN CC(C)[C@@H](CO)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC000806225919 1079508480 /nfs/dbraw/zinc/50/84/80/1079508480.db2.gz XSIXGGAASIGHLA-LTUQMTLXSA-N 0 0 424.567 2.666 20 30 HFEDRN Cc1c[nH]nc1NC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2C)c1 ZINC000806225418 1079508500 /nfs/dbraw/zinc/50/85/00/1079508500.db2.gz NEZKYTQUCFQWBC-KQWNVCNZSA-N 0 0 404.496 2.955 20 30 HFEDRN CC(C)[C@@H](CO)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC000806225915 1079508547 /nfs/dbraw/zinc/50/85/47/1079508547.db2.gz XSIXGGAASIGHLA-IHIJCHFRSA-N 0 0 424.567 2.666 20 30 HFEDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)N(C)C(C)(C)C#N)CCCC2)c1 ZINC000806291406 1079579672 /nfs/dbraw/zinc/57/96/72/1079579672.db2.gz XIQUJMPDSJWQDZ-UHFFFAOYSA-N 0 0 420.531 2.694 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000806345870 1079618202 /nfs/dbraw/zinc/61/82/02/1079618202.db2.gz CSTMBYLIJOELGL-KRWDZBQOSA-N 0 0 414.483 2.633 20 30 HFEDRN 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ZINC000791273788 1077355951 /nfs/dbraw/zinc/35/59/51/1077355951.db2.gz HBAITGBCRFRINX-ACRUOGEOSA-N 0 0 421.497 2.895 20 30 HFEDRN C[C@@H](CC(=O)OCC(=O)C1CCCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000788946538 1077356282 /nfs/dbraw/zinc/35/62/82/1077356282.db2.gz FEWJUJJMYUYTKE-AWEZNQCLSA-N 0 0 406.504 2.586 20 30 HFEDRN COc1ccc(CNC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N ZINC000746775748 1077365457 /nfs/dbraw/zinc/36/54/57/1077365457.db2.gz QGCCHSRPXUWGKP-UHFFFAOYSA-N 0 0 424.476 2.693 20 30 HFEDRN COc1ccc(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C#N ZINC000746997050 1077368147 /nfs/dbraw/zinc/36/81/47/1077368147.db2.gz XXKJZSXXFYVPJQ-UHFFFAOYSA-N 0 0 403.778 2.602 20 30 HFEDRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccccc1 ZINC000791287204 1077371136 /nfs/dbraw/zinc/37/11/36/1077371136.db2.gz CGCFNJCQGWBYBD-FQEVSTJZSA-N 0 0 421.501 2.868 20 30 HFEDRN COc1ccc(CNC(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc1C#N ZINC000746775950 1077371925 /nfs/dbraw/zinc/37/19/25/1077371925.db2.gz 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C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)c1ccccc1Br ZINC000789046304 1077382734 /nfs/dbraw/zinc/38/27/34/1077382734.db2.gz SZSUQSUXJOBXBA-GFCCVEGCSA-N 0 0 415.243 2.865 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NCc2coc(-c3ccc(C)cc3)n2)n1 ZINC000789042294 1077392411 /nfs/dbraw/zinc/39/24/11/1077392411.db2.gz ADQISTZCWWSXHT-UHFFFAOYSA-N 0 0 407.474 2.838 20 30 HFEDRN COc1ccc(COC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1C#N ZINC000747009345 1077397366 /nfs/dbraw/zinc/39/73/66/1077397366.db2.gz TXLNCPLOHGAEGW-UHFFFAOYSA-N 0 0 402.472 2.791 20 30 HFEDRN COc1ccc(CNC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1C#N ZINC000746785217 1077397512 /nfs/dbraw/zinc/39/75/12/1077397512.db2.gz OQKUINQXHSKPOI-UHFFFAOYSA-N 0 0 410.449 2.764 20 30 HFEDRN Cn1cc(C#N)cc1C(=O)OCC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000791408421 1077401707 /nfs/dbraw/zinc/40/17/07/1077401707.db2.gz YJELFQHUJDRURQ-UHFFFAOYSA-N 0 0 413.389 2.737 20 30 HFEDRN C[C@@H](OC(=O)c1cnnn1-c1cccc(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000789105487 1077414270 /nfs/dbraw/zinc/41/42/70/1077414270.db2.gz JZZZVVPQSZAGTD-FAGJFJLWSA-N 0 0 413.453 2.883 20 30 HFEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)c1C ZINC000772730644 1077415101 /nfs/dbraw/zinc/41/51/01/1077415101.db2.gz OCYLTIOSVUYSRK-OAHLLOKOSA-N 0 0 419.613 2.668 20 30 HFEDRN COC(=O)[C@@H](OC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000789109442 1077416915 /nfs/dbraw/zinc/41/69/15/1077416915.db2.gz TYLDQTHSCLUIMX-MOPGFXCFSA-N 0 0 415.467 2.534 20 30 HFEDRN COC(=O)[C@@H](OC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)c1cccc(C#N)c1 ZINC000789115854 1077419646 /nfs/dbraw/zinc/41/96/46/1077419646.db2.gz SLWHKGMPVCTKLC-MOPGFXCFSA-N 0 0 415.467 2.534 20 30 HFEDRN COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000789116978 1077421984 /nfs/dbraw/zinc/42/19/84/1077421984.db2.gz LRNPCLKEUUHFFW-UHFFFAOYSA-N 0 0 420.381 2.727 20 30 HFEDRN N#Cc1cccc(-c2cc(C(=O)OCC(=O)Nc3nnc(-c4ccco4)o3)on2)c1 ZINC000789123539 1077424540 /nfs/dbraw/zinc/42/45/40/1077424540.db2.gz FAMVFNHABOSNDQ-UHFFFAOYSA-N 0 0 405.326 2.652 20 30 HFEDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000789125845 1077425394 /nfs/dbraw/zinc/42/53/94/1077425394.db2.gz VNNFCFNBPBCKAA-HKUYNNGSSA-N 0 0 420.531 2.838 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnn2-c2ccccc2)cc1 ZINC000791516175 1077451851 /nfs/dbraw/zinc/45/18/51/1077451851.db2.gz ISPBADKNTYJAIT-GFMRDNFCSA-N 0 0 423.498 2.937 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCOc3ccc(OCC)cc32)n1 ZINC000789205049 1077461627 /nfs/dbraw/zinc/46/16/27/1077461627.db2.gz CHBMEPHAQRONIO-HXUWFJFHSA-N 0 0 412.490 2.597 20 30 HFEDRN COc1ccc(COC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C#N ZINC000747020902 1077466345 /nfs/dbraw/zinc/46/63/45/1077466345.db2.gz GICOCVWVRZRPTF-UHFFFAOYSA-N 0 0 414.483 2.684 20 30 HFEDRN CC[C@H](C)n1ncc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1C ZINC000791581444 1077471272 /nfs/dbraw/zinc/47/12/72/1077471272.db2.gz UZKUCEPRFOVWKH-ZDUSSCGKSA-N 0 0 403.508 2.620 20 30 HFEDRN COc1ccc(COC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1C#N ZINC000747021076 1077480122 /nfs/dbraw/zinc/48/01/22/1077480122.db2.gz BAJMQUPMGJRIQF-KRWDZBQOSA-N 0 0 414.483 2.711 20 30 HFEDRN CCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3ccc(OC)c(C#N)c3)cc(C(C)C)nc21 ZINC000747022704 1077482405 /nfs/dbraw/zinc/48/24/05/1077482405.db2.gz QJIWEQQUPORVPK-UHFFFAOYSA-N 0 0 422.441 2.878 20 30 HFEDRN Cn1c(=O)[nH]c(=O)c2c(C(=O)OCC#Cc3ccccc3Cl)cc(C3CC3)nc21 ZINC000747022512 1077482490 /nfs/dbraw/zinc/48/24/90/1077482490.db2.gz NRGMFXLOOMDMNS-UHFFFAOYSA-N 0 0 409.829 2.773 20 30 HFEDRN C=C(C)CN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)Cc1ccccc1 ZINC000791566608 1077483193 /nfs/dbraw/zinc/48/31/93/1077483193.db2.gz RZBGFMFLEIXSCM-DEOSSOPVSA-N 0 0 420.513 2.953 20 30 HFEDRN Cc1nc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)n(-c2ccc(C#N)cc2)n1 ZINC000791607418 1077484044 /nfs/dbraw/zinc/48/40/44/1077484044.db2.gz XVUXDSLMQHZBNT-QGZVFWFLSA-N 0 0 424.258 2.574 20 30 HFEDRN CN(C)S(=O)(=O)c1ccc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 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Cn1cc([C@@H]2CSCCN2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cn1 ZINC000792419911 1077849641 /nfs/dbraw/zinc/84/96/41/1077849641.db2.gz XIUUZBMHFXZUDN-LPHOPBHVSA-N 0 0 404.499 2.747 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000792451060 1077854605 /nfs/dbraw/zinc/85/46/05/1077854605.db2.gz ZTIINLDLBKLPTE-CYBMUJFWSA-N 0 0 417.263 2.888 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000792453464 1077856319 /nfs/dbraw/zinc/85/63/19/1077856319.db2.gz CYXFXXPAQPXWIL-JTQLQIEISA-N 0 0 404.635 2.801 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 ZINC000792453724 1077856370 /nfs/dbraw/zinc/85/63/70/1077856370.db2.gz NYFBYBVRGDNTFB-MRXNPFEDSA-N 0 0 411.433 2.943 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000792453469 1077856495 /nfs/dbraw/zinc/85/64/95/1077856495.db2.gz DECKBQYDBCVHPW-SNVBAGLBSA-N 0 0 422.201 2.642 20 30 HFEDRN C[C@H](OC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000792456240 1077856755 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HFEDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000792475464 1077874322 /nfs/dbraw/zinc/87/43/22/1077874322.db2.gz ZLZWJRMRJYGRTK-MRXNPFEDSA-N 0 0 410.224 2.631 20 30 HFEDRN COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccccc1OC(F)F ZINC000789968552 1077875403 /nfs/dbraw/zinc/87/54/03/1077875403.db2.gz PRAUEGPMLILEJQ-GFCCVEGCSA-N 0 0 422.461 2.764 20 30 HFEDRN COCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccc(C)cc2)cn1 ZINC000789969591 1077875591 /nfs/dbraw/zinc/87/55/91/1077875591.db2.gz WHUXPIBURHQYAM-UHFFFAOYSA-N 0 0 422.518 2.611 20 30 HFEDRN COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnc(C2CCC2)s1 ZINC000789968111 1077875607 /nfs/dbraw/zinc/87/56/07/1077875607.db2.gz IWAKVGSLKLBTKQ-LBPRGKRZSA-N 0 0 417.564 2.887 20 30 HFEDRN COCCCn1nccc1C=Nn1c(-c2cnn(C)n2)csc1=Nc1ccccc1 ZINC000789970059 1077878269 /nfs/dbraw/zinc/87/82/69/1077878269.db2.gz LMCWWJIXFWWMAL-UHFFFAOYSA-N 0 0 422.518 2.693 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)CC2)o1 ZINC000789977622 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421.457 2.633 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3COC4(CCCCCC4)O3)CC2)o1 ZINC000789998320 1077896773 /nfs/dbraw/zinc/89/67/73/1077896773.db2.gz ZDEBWMUPGBHMTG-QGZVFWFLSA-N 0 0 402.495 2.653 20 30 HFEDRN COCc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NCCSC)c1 ZINC000790000533 1077897600 /nfs/dbraw/zinc/89/76/00/1077897600.db2.gz WJQIATFNNJPRDH-UHFFFAOYSA-N 0 0 402.549 2.637 20 30 HFEDRN COC(=O)[C@H](CS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)NC(C)=O ZINC000790001998 1077899338 /nfs/dbraw/zinc/89/93/38/1077899338.db2.gz TWJLATLRVNQNKZ-NHYWBVRUSA-N 0 0 423.560 2.627 20 30 HFEDRN Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)CC(C)(C)C#N)CC3)n2)cc1 ZINC000790007592 1077901287 /nfs/dbraw/zinc/90/12/87/1077901287.db2.gz SCRPPALLECIVFK-MRXNPFEDSA-N 0 0 417.535 2.603 20 30 HFEDRN C=CCN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(CC)c1 ZINC000789971146 1077901677 /nfs/dbraw/zinc/90/16/77/1077901677.db2.gz VBSDNLQODYDTFY-UHFFFAOYSA-N 0 0 415.544 2.805 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCCCOC)c2ccccc2)cc1 ZINC000792554526 1077901680 /nfs/dbraw/zinc/90/16/80/1077901680.db2.gz DRUDWVOFWLMTLH-NRFANRHFSA-N 0 0 414.527 2.886 20 30 HFEDRN CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc[nH]n1 ZINC000789973395 1077902208 /nfs/dbraw/zinc/90/22/08/1077902208.db2.gz PYFZHXRHZMDIJE-UHFFFAOYSA-N 0 0 419.869 2.586 20 30 HFEDRN CSc1ccccc1CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000792541728 1077904803 /nfs/dbraw/zinc/90/48/03/1077904803.db2.gz CAGJEUMEAZVUIA-UHFFFAOYSA-N 0 0 417.556 2.886 20 30 HFEDRN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790046476 1077910454 /nfs/dbraw/zinc/91/04/54/1077910454.db2.gz RTVGQSNBEJXNLH-WBVHZDCISA-N 0 0 415.918 2.999 20 30 HFEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC)[C@H](O)c2ccccc2)c1 ZINC000792560539 1077911676 /nfs/dbraw/zinc/91/16/76/1077911676.db2.gz BXGWPTXXXJZEMV-VQTJNVASSA-N 0 0 402.516 2.783 20 30 HFEDRN CC(C)CN1N=C(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCC1=O ZINC000792587066 1077922370 /nfs/dbraw/zinc/92/23/70/1077922370.db2.gz MPLUHADYITYTQM-IBGZPJMESA-N 0 0 415.925 2.683 20 30 HFEDRN CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000792587076 1077922389 /nfs/dbraw/zinc/92/23/89/1077922389.db2.gz MQMZOZDCDAQLCO-MSOLQXFVSA-N 0 0 406.914 2.820 20 30 HFEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000792588901 1077923823 /nfs/dbraw/zinc/92/38/23/1077923823.db2.gz RYJJZFVWVQYILE-YOEHRIQHSA-N 0 0 406.914 2.962 20 30 HFEDRN CCCC1N=NC(=S)N1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000792588448 1077924146 /nfs/dbraw/zinc/92/41/46/1077924146.db2.gz POIRUEMEVXSXGE-INIZCTEOSA-N 0 0 418.954 2.582 20 30 HFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(SC)CCC1 ZINC000790076897 1077924451 /nfs/dbraw/zinc/92/44/51/1077924451.db2.gz LVRDZAGPYPHCKF-HNNXBMFYSA-N 0 0 409.577 2.686 20 30 HFEDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2)C1=O ZINC000790084412 1077926745 /nfs/dbraw/zinc/92/67/45/1077926745.db2.gz 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1077975989 /nfs/dbraw/zinc/97/59/89/1077975989.db2.gz QKXBRFBEECLGAT-LJQANCHMSA-N 0 0 407.499 2.604 20 30 HFEDRN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790259020 1077978747 /nfs/dbraw/zinc/97/87/47/1077978747.db2.gz DBRJUSRPXUAQDV-QGZVFWFLSA-N 0 0 421.463 2.602 20 30 HFEDRN N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000790221636 1077979569 /nfs/dbraw/zinc/97/95/69/1077979569.db2.gz VUWRTIFCMVYNIN-HXUWFJFHSA-N 0 0 405.479 2.791 20 30 HFEDRN C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)c(F)c1 ZINC000792744619 1077982737 /nfs/dbraw/zinc/98/27/37/1077982737.db2.gz GLQCMZMMPBOPRU-RHSMWYFYSA-N 0 0 403.479 2.846 20 30 HFEDRN C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cc(OCC)ccc1OCC ZINC000792747589 1077984128 /nfs/dbraw/zinc/98/41/28/1077984128.db2.gz RKYJXTSQGNTICH-KBXCAEBGSA-N 0 0 417.531 2.963 20 30 HFEDRN C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 ZINC000792747901 1077984154 /nfs/dbraw/zinc/98/41/54/1077984154.db2.gz MKTMRERTEZKXEE-HZPDHXFCSA-N 0 0 411.462 2.988 20 30 HFEDRN CCOc1cccc(N=C2SC(CC(=O)NC)C(=O)N2C[C@H]2CCSC2)c1 ZINC000790285737 1077985481 /nfs/dbraw/zinc/98/54/81/1077985481.db2.gz TZUPROYLGJETCY-CZUORRHYSA-N 0 0 407.561 2.906 20 30 HFEDRN O=S(=O)(c1ccc(N=NCc2ccnn2-c2ccccc2)nc1)N1CCCCC1 ZINC000790286737 1077985701 /nfs/dbraw/zinc/98/57/01/1077985701.db2.gz CXPGRDGERBLTQA-UHFFFAOYSA-N 0 0 410.503 2.888 20 30 HFEDRN COc1ccc(CC2N=NC(=S)N2N=Cc2c(Br)c(C)nn2C)cc1 ZINC000790288033 1077985946 /nfs/dbraw/zinc/98/59/46/1077985946.db2.gz QSQBTDJAAMBLLM-UHFFFAOYSA-N 0 0 421.324 2.853 20 30 HFEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000790261084 1077988922 /nfs/dbraw/zinc/98/89/22/1077988922.db2.gz ISLLWPGHAZQJNV-UHFFFAOYSA-N 0 0 401.344 2.747 20 30 HFEDRN CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3cnc(Cl)cc3c2=O)cc1 ZINC000790272538 1077992651 /nfs/dbraw/zinc/99/26/51/1077992651.db2.gz NIIOKXKNYNPANR-UHFFFAOYSA-N 0 0 411.849 2.790 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000790273566 1077993078 /nfs/dbraw/zinc/99/30/78/1077993078.db2.gz GGHSLZVJBGXRET-ZWNOBZJWSA-N 0 0 403.863 2.516 20 30 HFEDRN CC(C)C[C@@H](C)n1nccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000792802519 1077996025 /nfs/dbraw/zinc/99/60/25/1077996025.db2.gz INPPTBDFINVBQN-OAHLLOKOSA-N 0 0 417.535 2.948 20 30 HFEDRN N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc(N3CCC3=O)c2)c1 ZINC000790350447 1078001748 /nfs/dbraw/zinc/00/17/48/1078001748.db2.gz GKQATIYXGFCFBA-UHFFFAOYSA-N 0 0 406.261 2.858 20 30 HFEDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000792832557 1078007745 /nfs/dbraw/zinc/00/77/45/1078007745.db2.gz UJJQLUDYNJSTLA-IBGZPJMESA-N 0 0 412.534 2.848 20 30 HFEDRN CC(C)C[C@@H](C)n1nccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000792803260 1078009282 /nfs/dbraw/zinc/00/92/82/1078009282.db2.gz PMYQPBPMIGTQHQ-CQSZACIVSA-N 0 0 403.508 2.558 20 30 HFEDRN Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)ccc1C#N ZINC000790384360 1078011061 /nfs/dbraw/zinc/01/10/61/1078011061.db2.gz LWKXJTKMEROEOG-HOTGVXAUSA-N 0 0 411.499 2.835 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](F)CC3CCCCC3)CC2)cc1 ZINC000792864907 1078011463 /nfs/dbraw/zinc/01/14/63/1078011463.db2.gz OZICMEKHLUTCLH-LJQANCHMSA-N 0 0 407.511 2.700 20 30 HFEDRN CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccccc3OC)nc2)cc1 ZINC000792865710 1078011551 /nfs/dbraw/zinc/01/15/51/1078011551.db2.gz HGKZUZFUDHCXBX-KPKJPENVSA-N 0 0 409.467 2.956 20 30 HFEDRN N#CCn1c(=O)c2ccccc2nc1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792886619 1078017048 /nfs/dbraw/zinc/01/70/48/1078017048.db2.gz WZBJIAQZTYGFOU-UHFFFAOYSA-N 0 0 409.440 2.911 20 30 HFEDRN Cc1nc2ccccc2c(=O)n1N=Cc1c(Br)n[nH]c1Br ZINC000792886107 1078017113 /nfs/dbraw/zinc/01/71/13/1078017113.db2.gz SFKPGQCGKFMEJJ-UHFFFAOYSA-N 0 0 411.057 2.835 20 30 HFEDRN CN([C@H]1CCN(CC(F)(F)F)C1=O)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000790374840 1078017900 /nfs/dbraw/zinc/01/79/00/1078017900.db2.gz ZRSCWNQZJJYGMO-NSHDSACASA-N 0 0 422.322 2.628 20 30 HFEDRN CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000747089047 1078019276 /nfs/dbraw/zinc/01/92/76/1078019276.db2.gz CQVAMQDZDHZDPV-HSZRJFAPSA-N 0 0 422.485 2.706 20 30 HFEDRN CC(=O)N1CC[C@](C)(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000747092542 1078022550 /nfs/dbraw/zinc/02/25/50/1078022550.db2.gz QQDFIZRGGPRCGX-XOBRGWDASA-N 0 0 403.504 2.821 20 30 HFEDRN CC(=O)N1CC[C@](C)(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000747092541 1078023728 /nfs/dbraw/zinc/02/37/28/1078023728.db2.gz QQDFIZRGGPRCGX-VLIAUNLRSA-N 0 0 403.504 2.821 20 30 HFEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccsc1 ZINC000790428630 1078024328 /nfs/dbraw/zinc/02/43/28/1078024328.db2.gz YXQQMWZCCDSAEE-UHFFFAOYSA-N 0 0 401.538 2.535 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)ccc1F ZINC000790396220 1078024513 /nfs/dbraw/zinc/02/45/13/1078024513.db2.gz DLTISIOADQMNTE-VQTJNVASSA-N 0 0 420.506 2.778 20 30 HFEDRN COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000792925593 1078027229 /nfs/dbraw/zinc/02/72/29/1078027229.db2.gz SUBMVOARVNCXJD-ONNFQVAWSA-N 0 0 412.398 2.745 20 30 HFEDRN CCc1ccc([C@H]2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CCO2)cc1 ZINC000790462991 1078028101 /nfs/dbraw/zinc/02/81/01/1078028101.db2.gz YYSWHPJRFKGQEG-JOCHJYFZSA-N 0 0 418.497 2.916 20 30 HFEDRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C(=O)NCCCCC#N)c2F)C1 ZINC000792978002 1078031229 /nfs/dbraw/zinc/03/12/29/1078031229.db2.gz BMENFUCAGHBFMR-UHFFFAOYSA-N 0 0 418.469 2.867 20 30 HFEDRN CCc1ccc([C@H]2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CCO2)cc1 ZINC000790460125 1078038333 /nfs/dbraw/zinc/03/83/33/1078038333.db2.gz NTVLOHZGDCARTD-JOCHJYFZSA-N 0 0 418.497 2.916 20 30 HFEDRN C=C(Cl)CNC(=O)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000792984067 1078040608 /nfs/dbraw/zinc/04/06/08/1078040608.db2.gz WGVMCAUYNXAREP-UHFFFAOYSA-N 0 0 411.861 2.926 20 30 HFEDRN COc1cccc(Cl)c1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000790486786 1078042437 /nfs/dbraw/zinc/04/24/37/1078042437.db2.gz NXJNHXCSJQEQGG-DOMZBBRYSA-N 0 0 408.886 2.907 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2Cc3ccccc3CO2)c1 ZINC000806218869 1079504119 /nfs/dbraw/zinc/50/41/19/1079504119.db2.gz ZJTJUSXHQDNQBY-QOCHGBHMSA-N 0 0 414.487 2.979 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)NCC2(S(C)(=O)=O)CCCC2)cc1C#N ZINC000806363637 1079651275 /nfs/dbraw/zinc/65/12/75/1079651275.db2.gz HXACMPHYSLQTFR-UHFFFAOYSA-N 0 0 408.480 2.606 20 30 HFEDRN C#Cc1cncc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000806368434 1079655932 /nfs/dbraw/zinc/65/59/32/1079655932.db2.gz ZFXXPNOPKLVPCQ-UHFFFAOYSA-N 0 0 413.499 2.889 20 30 HFEDRN C[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806372040 1079659183 /nfs/dbraw/zinc/65/91/83/1079659183.db2.gz ZEJZEDMHCLLKMP-OAQYLSRUSA-N 0 0 409.877 2.839 20 30 HFEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001130626018 1079675306 /nfs/dbraw/zinc/67/53/06/1079675306.db2.gz HEKQCVMPCPLUKR-UHFFFAOYSA-N 0 0 420.510 2.769 20 30 HFEDRN C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001130626277 1079676160 /nfs/dbraw/zinc/67/61/60/1079676160.db2.gz KQSPOICUPHKBQM-UHFFFAOYSA-N 0 0 413.923 2.697 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@@H]3CSCCS3)c2)s1 ZINC000806468777 1079699756 /nfs/dbraw/zinc/69/97/56/1079699756.db2.gz GIWXBUUUASXLRC-MRXNPFEDSA-N 0 0 417.581 2.868 20 30 HFEDRN C=C(CNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000806446305 1079716135 /nfs/dbraw/zinc/71/61/35/1079716135.db2.gz YPHIHEGQLGTMNC-UHFFFAOYSA-N 0 0 402.539 2.942 20 30 HFEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(Cc3ccccn3)n2)cc1 ZINC000806456097 1079725353 /nfs/dbraw/zinc/72/53/53/1079725353.db2.gz FPEYZRHUYWQRDD-AWEZNQCLSA-N 0 0 410.459 2.656 20 30 HFEDRN Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cn1 ZINC000806456168 1079725788 /nfs/dbraw/zinc/72/57/88/1079725788.db2.gz HCURRNJWNWLCME-CQSZACIVSA-N 0 0 424.486 2.583 20 30 HFEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000806456002 1079726303 /nfs/dbraw/zinc/72/63/03/1079726303.db2.gz CVCKRBSJNQPJAW-HOCLYGCPSA-N 0 0 407.492 2.570 20 30 HFEDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000806459219 1079731121 /nfs/dbraw/zinc/73/11/21/1079731121.db2.gz BLZUJFRGBDWXBP-ZBFHGGJFSA-N 0 0 422.507 2.505 20 30 HFEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000806459043 1079731642 /nfs/dbraw/zinc/73/16/42/1079731642.db2.gz SKVNGSGTTGTCEZ-CQSZACIVSA-N 0 0 401.488 2.921 20 30 HFEDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000806458529 1079732596 /nfs/dbraw/zinc/73/25/96/1079732596.db2.gz KKGRUNZTIFNFGZ-OLZOCXBDSA-N 0 0 403.460 2.969 20 30 HFEDRN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NCCNc1ccc(C#N)cn1 ZINC000806467999 1079738563 /nfs/dbraw/zinc/73/85/63/1079738563.db2.gz QPOWLVIQRKOXJL-RHSMWYFYSA-N 0 0 417.477 2.730 20 30 HFEDRN C#C[C@H](NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(Cl)cc1F ZINC000806533818 1079807041 /nfs/dbraw/zinc/80/70/41/1079807041.db2.gz IUOUENWBAXBSPQ-KRWDZBQOSA-N 0 0 416.840 2.532 20 30 HFEDRN COCCN(C(=O)c1ccc(C#N)n1C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001130678639 1079809855 /nfs/dbraw/zinc/80/98/55/1079809855.db2.gz BENDHYYTOVSPSU-UHFFFAOYSA-N 0 0 424.501 2.787 20 30 HFEDRN COc1ccc(C=CC(=O)C2=C(C)N=C3N=NNN3[C@@H]2C)c(Br)c1O ZINC000806560037 1079820312 /nfs/dbraw/zinc/82/03/12/1079820312.db2.gz IIDILROPNLGZHH-OTQAPUNGSA-N 0 0 406.240 2.965 20 30 HFEDRN Cc1cc(=O)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)nn1-c1ccccc1 ZINC000747336408 1079844085 /nfs/dbraw/zinc/84/40/85/1079844085.db2.gz OKXASNUQTXSKBB-UHFFFAOYSA-N 0 0 413.481 2.811 20 30 HFEDRN N#CCCn1cc(C(=O)NCCO[C@@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001130690362 1079852229 /nfs/dbraw/zinc/85/22/29/1079852229.db2.gz NVRRUEMOUGVFTM-OAHLLOKOSA-N 0 0 405.361 2.526 20 30 HFEDRN C=CCc1ccc(OC[C@@H](O)CN2C(=O)O[C@]3(CCc4ccccc43)C2=O)c(OC)c1 ZINC000806631354 1079887138 /nfs/dbraw/zinc/88/71/38/1079887138.db2.gz KJJOSBGQDZCSDP-UUOWRZLLSA-N 0 0 423.465 2.984 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(CS(C)(=O)=O)ccc1OC ZINC000806638356 1079894844 /nfs/dbraw/zinc/89/48/44/1079894844.db2.gz BOQBLWXFADSBLV-SFHVURJKSA-N 0 0 400.500 2.996 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000806644557 1079900119 /nfs/dbraw/zinc/90/01/19/1079900119.db2.gz AGEUOOKDTOIBGT-QFIPXVFZSA-N 0 0 418.541 2.659 20 30 HFEDRN COc1ccc(OCCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000747343203 1079906212 /nfs/dbraw/zinc/90/62/12/1079906212.db2.gz MMWZWFFNVPYYPV-UHFFFAOYSA-N 0 0 420.425 2.703 20 30 HFEDRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000747343469 1079917453 /nfs/dbraw/zinc/91/74/53/1079917453.db2.gz WJMPZEPUZZVAGN-UHFFFAOYSA-N 0 0 406.398 2.557 20 30 HFEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000806695604 1079918650 /nfs/dbraw/zinc/91/86/50/1079918650.db2.gz 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20 30 HFEDRN C=CCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1OC ZINC000790498267 1078043682 /nfs/dbraw/zinc/04/36/82/1078043682.db2.gz COTVREBNDLGFFC-UHFFFAOYSA-N 0 0 416.499 2.713 20 30 HFEDRN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C=NNC(=S)NCCc1ccccn1 ZINC000793004236 1078045899 /nfs/dbraw/zinc/04/58/99/1078045899.db2.gz ISAXWLIOKNWSOV-AWEZNQCLSA-N 0 0 413.494 2.719 20 30 HFEDRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C#N)cn2)cn1 ZINC000790511005 1078048022 /nfs/dbraw/zinc/04/80/22/1078048022.db2.gz SNDUPFSYJDLYAC-OAQYLSRUSA-N 0 0 404.474 2.615 20 30 HFEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1OC ZINC000793013635 1078048504 /nfs/dbraw/zinc/04/85/04/1078048504.db2.gz SYZNXQXEBPYKGC-HTAPYJJXSA-N 0 0 417.506 2.856 20 30 HFEDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000793031566 1078051699 /nfs/dbraw/zinc/05/16/99/1078051699.db2.gz LWDFIYWWNAQOEB-GOSISDBHSA-N 0 0 416.497 2.991 20 30 HFEDRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790570889 1078058015 /nfs/dbraw/zinc/05/80/15/1078058015.db2.gz MIJIPSTZOKYYQZ-CYBMUJFWSA-N 0 0 410.417 2.924 20 30 HFEDRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000790570391 1078058286 /nfs/dbraw/zinc/05/82/86/1078058286.db2.gz HSZYBUMDAUEYRL-ZDUSSCGKSA-N 0 0 410.417 2.842 20 30 HFEDRN Cc1nn(C)c(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1Br ZINC000790600261 1078064162 /nfs/dbraw/zinc/06/41/62/1078064162.db2.gz IUUGIYDTGICZPH-AATRIKPKSA-N 0 0 401.257 2.930 20 30 HFEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)OCCSCc2ccccc2)cc1 ZINC000790639805 1078073104 /nfs/dbraw/zinc/07/31/04/1078073104.db2.gz JLAPMIGZYZYYFF-UHFFFAOYSA-N 0 0 404.513 2.969 20 30 HFEDRN CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000793091472 1078066935 /nfs/dbraw/zinc/06/69/35/1078066935.db2.gz HWPQUYHJPQMOEV-PWRODBHTSA-N 0 0 423.513 2.555 20 30 HFEDRN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790631685 1078068772 /nfs/dbraw/zinc/06/87/72/1078068772.db2.gz 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COCc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)c1 ZINC000789991548 1077892063 /nfs/dbraw/zinc/89/20/63/1077892063.db2.gz QXAMDNNUKPARMV-UHFFFAOYSA-N 0 0 410.425 2.837 20 30 HFEDRN Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2ccc(C#N)cc2F)n1 ZINC000789992186 1077892748 /nfs/dbraw/zinc/89/27/48/1077892748.db2.gz WCRCTUUVBQJHOJ-UHFFFAOYSA-N 0 0 409.372 2.701 20 30 HFEDRN Cc1cc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)n(C)n1 ZINC000790001379 1077898226 /nfs/dbraw/zinc/89/82/26/1077898226.db2.gz HWCNFICVXWLCDC-SFHVURJKSA-N 0 0 411.531 2.837 20 30 HFEDRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000746871648 1077902413 /nfs/dbraw/zinc/90/24/13/1077902413.db2.gz BPXNJCWSBCJCSX-CQSZACIVSA-N 0 0 401.488 2.574 20 30 HFEDRN COc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000792542221 1077904600 /nfs/dbraw/zinc/90/46/00/1077904600.db2.gz OZWGGBGHSZIAJJ-HNNXBMFYSA-N 0 0 402.204 2.823 20 30 HFEDRN C[C@H](OC(=O)Cc1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000792565868 1077905565 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JJAASVQROYBDPI-HNNXBMFYSA-N 0 0 422.714 2.859 20 30 HFEDRN COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1C#N ZINC000747080975 1077916892 /nfs/dbraw/zinc/91/68/92/1077916892.db2.gz ZDVWUKSXCWLXPZ-UHFFFAOYSA-N 0 0 415.405 2.886 20 30 HFEDRN Cc1c2ccccc2sc1C(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000790027414 1077918731 /nfs/dbraw/zinc/91/87/31/1077918731.db2.gz UHZUKPYOFRYPNH-UHFFFAOYSA-N 0 0 405.545 2.847 20 30 HFEDRN N#Cc1ccc(CNC(=O)COC(=O)c2cnc(Br)c(Cl)c2)cc1 ZINC000792598403 1077920613 /nfs/dbraw/zinc/92/06/13/1077920613.db2.gz WSIWUHZJBYIEDY-UHFFFAOYSA-N 0 0 408.639 2.842 20 30 HFEDRN CCOC(=O)N[C@@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000792587080 1077922355 /nfs/dbraw/zinc/92/23/55/1077922355.db2.gz MQMZOZDCDAQLCO-QZTJIDSGSA-N 0 0 406.914 2.820 20 30 HFEDRN N#CCOc1ccccc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772806800 1077924038 /nfs/dbraw/zinc/92/40/38/1077924038.db2.gz VPQPBCCZYRMKIU-INIZCTEOSA-N 0 0 414.259 2.887 20 30 HFEDRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746876536 1077935248 /nfs/dbraw/zinc/93/52/48/1077935248.db2.gz BSIQFXDQYHMJLM-LJQANCHMSA-N 0 0 412.465 2.990 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)Cc2cc3c(cc2Br)OCCO3)n1 ZINC000790109917 1077940678 /nfs/dbraw/zinc/94/06/78/1077940678.db2.gz IGFWSHTUTGSNRL-UHFFFAOYSA-N 0 0 418.291 2.641 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)COc2ccc(C=O)cc2Br)n1 ZINC000790115406 1077942938 /nfs/dbraw/zinc/94/29/38/1077942938.db2.gz NUODCDDMAFCTFE-UHFFFAOYSA-N 0 0 404.264 2.519 20 30 HFEDRN C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170323425 1077943602 /nfs/dbraw/zinc/94/36/02/1077943602.db2.gz JWOPFZDQODBMOX-YOEHRIQHSA-N 0 0 422.478 2.954 20 30 HFEDRN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000790090663 1077945592 /nfs/dbraw/zinc/94/55/92/1077945592.db2.gz OEDQBJPDSNTKCD-UHFFFAOYSA-N 0 0 404.488 2.605 20 30 HFEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001170335076 1077946750 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RQNWAPISRSGOSS-ZDUSSCGKSA-N 0 0 403.870 2.934 20 30 HFEDRN C=CCc1ccc(OC[C@H](O)Cn2cnc3cnc(Cl)cc3c2=O)c(OC)c1 ZINC000790132841 1077952651 /nfs/dbraw/zinc/95/26/51/1077952651.db2.gz OSBLXYBVUBRYGU-CQSZACIVSA-N 0 0 401.850 2.622 20 30 HFEDRN CN=c1scc(-c2ccc(N3CCOC3=O)cc2)n1N=Cc1cccc(OC)n1 ZINC000790135266 1077953785 /nfs/dbraw/zinc/95/37/85/1077953785.db2.gz YDWOUSUOLVZUKB-UHFFFAOYSA-N 0 0 409.471 2.990 20 30 HFEDRN CC(C)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)S(=O)(=O)C1CC1 ZINC000792633635 1077954555 /nfs/dbraw/zinc/95/45/55/1077954555.db2.gz DKHJWPXXALZBSO-UHFFFAOYSA-N 0 0 402.472 2.637 20 30 HFEDRN S=C(NCCN1CCOCC1)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000790143209 1077955811 /nfs/dbraw/zinc/95/58/11/1077955811.db2.gz CDZQNAXCWYXOFV-UHFFFAOYSA-N 0 0 400.335 2.605 20 30 HFEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(CN3C(=O)CSC3=O)c2)cc1 ZINC000792651817 1077958821 /nfs/dbraw/zinc/95/88/21/1077958821.db2.gz MRDHVUSSAWWZMT-LJQANCHMSA-N 0 0 418.478 2.752 20 30 HFEDRN CC(C)(C)OC1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001170395262 1077959727 /nfs/dbraw/zinc/95/97/27/1077959727.db2.gz SAJLKIRCIGCDQU-UHFFFAOYSA-N 0 0 421.563 2.748 20 30 HFEDRN O=S(=O)(NC1CCCC1)c1ccc(N=NCc2nccn2-c2ccccc2)nc1 ZINC000790157495 1077961400 /nfs/dbraw/zinc/96/14/00/1077961400.db2.gz CUBLQPYGZIOWDP-UHFFFAOYSA-N 0 0 410.503 2.934 20 30 HFEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccn(-c4ccccc4Cl)n3)C2=O)cc1 ZINC000792660199 1077961468 /nfs/dbraw/zinc/96/14/68/1077961468.db2.gz BHFYMFCKAWKBST-LJQANCHMSA-N 0 0 419.872 2.928 20 30 HFEDRN O=C(/C=C/c1nccn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000790214262 1077972131 /nfs/dbraw/zinc/97/21/31/1077972131.db2.gz JFJMMMDOEGMTLZ-ZHACJKMWSA-N 0 0 423.494 2.789 20 30 HFEDRN Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1ccc(N(C)C(C)C)nc1 ZINC000790221542 1077979564 /nfs/dbraw/zinc/97/95/64/1077979564.db2.gz CFVSNFHLZADOFM-CLFYSBASSA-N 0 0 404.536 2.680 20 30 HFEDRN COC1(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCOCC1 ZINC000792735709 1077980263 /nfs/dbraw/zinc/98/02/63/1077980263.db2.gz POYKOQCMQXMBAF-CYBMUJFWSA-N 0 0 406.504 2.954 20 30 HFEDRN CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2c(Br)c(C)nn2C)C1=O ZINC000790289220 1077986831 /nfs/dbraw/zinc/98/68/31/1077986831.db2.gz AQBVQKPNNVPKCJ-QGZVFWFLSA-N 0 0 404.268 2.682 20 30 HFEDRN C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cc(Cl)ccc1OC ZINC000792786378 1077990886 /nfs/dbraw/zinc/99/08/86/1077990886.db2.gz UJVKRFJFFFCOQN-MEDUHNTESA-N 0 0 405.907 2.971 20 30 HFEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(F)(F)C2CCOCC2)CC1 ZINC000790268708 1077991180 /nfs/dbraw/zinc/99/11/80/1077991180.db2.gz PQHOPAXWTYSGPO-UHFFFAOYSA-N 0 0 406.389 2.517 20 30 HFEDRN COc1cc(C=NNc2nccn2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000790301605 1077999231 /nfs/dbraw/zinc/99/92/31/1077999231.db2.gz FMOWPSMVEQZUEY-UHFFFAOYSA-N 0 0 400.460 2.951 20 30 HFEDRN C#CCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cc(Cl)ccc1OC ZINC000792780647 1077999646 /nfs/dbraw/zinc/99/96/46/1077999646.db2.gz FXFYZBUPPUUDCQ-MRXNPFEDSA-N 0 0 405.907 2.972 20 30 HFEDRN C=CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790352657 1078002220 /nfs/dbraw/zinc/00/22/20/1078002220.db2.gz KEYMCQOEOMRMQR-VGSWGCGISA-N 0 0 415.538 2.907 20 30 HFEDRN N#Cc1ccc(I)c(OS(=O)(=O)CCC(F)(F)F)c1 ZINC000790332419 1078005611 /nfs/dbraw/zinc/00/56/11/1078005611.db2.gz PFTJAHOFWOFQOH-UHFFFAOYSA-N 0 0 405.135 2.824 20 30 HFEDRN C=C(Br)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000792858141 1078009962 /nfs/dbraw/zinc/00/99/62/1078009962.db2.gz IHZTWTRBAXMEJV-UHFFFAOYSA-N 0 0 413.272 2.734 20 30 HFEDRN CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)c1 ZINC000792870742 1078012103 /nfs/dbraw/zinc/01/21/03/1078012103.db2.gz BGKQCJKKIMWXIN-KHPPLWFESA-N 0 0 409.467 2.956 20 30 HFEDRN CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1Cl ZINC000792886391 1078017000 /nfs/dbraw/zinc/01/70/00/1078017000.db2.gz KLOPPQSQQCTHGU-QPJJXVBHSA-N 0 0 403.866 2.983 20 30 HFEDRN CC(=O)N(c1nc(/C=C2\CCc3c(cnn3-c3ncccn3)C2=O)cs1)C1CC1 ZINC000792898177 1078019116 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20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OC)c1OC)c1ccc(Cl)cc1F ZINC000807327689 1080526399 /nfs/dbraw/zinc/52/63/99/1080526399.db2.gz DDHIWHNNVKZEKJ-CQSZACIVSA-N 0 0 420.824 2.934 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(CC(=O)OC)c1)c1ccc(Cl)cc1F ZINC000807327741 1080526402 /nfs/dbraw/zinc/52/64/02/1080526402.db2.gz IUPHYMWHLWFBIM-KRWDZBQOSA-N 0 0 402.809 2.624 20 30 HFEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000807329860 1080528719 /nfs/dbraw/zinc/52/87/19/1080528719.db2.gz HSYPVSJNZMMZGL-DYXWJJEUSA-N 0 0 422.456 2.807 20 30 HFEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1F ZINC000807331202 1080529154 /nfs/dbraw/zinc/52/91/54/1080529154.db2.gz TYTSJWLSDAVGEG-QGZVFWFLSA-N 0 0 400.841 2.904 20 30 HFEDRN N#CCOc1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000807330462 1080530580 /nfs/dbraw/zinc/53/05/80/1080530580.db2.gz OXGMTULSVIUIRQ-HKBOAZHASA-N 0 0 405.454 2.559 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000807337251 1080537395 /nfs/dbraw/zinc/53/73/95/1080537395.db2.gz NFUOCXWIINHXNQ-HXUWFJFHSA-N 0 0 417.509 2.920 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000807337145 1080537661 /nfs/dbraw/zinc/53/76/61/1080537661.db2.gz MFJMQVQIBVLEIX-OAQYLSRUSA-N 0 0 405.498 2.744 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000807337406 1080538097 /nfs/dbraw/zinc/53/80/97/1080538097.db2.gz RISJBGNOAXGZJA-LAUBAEHRSA-N 0 0 406.482 2.728 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000807338234 1080538440 /nfs/dbraw/zinc/53/84/40/1080538440.db2.gz DDEGIJNFYAFKLE-MRXNPFEDSA-N 0 0 411.889 2.731 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000807338417 1080540302 /nfs/dbraw/zinc/54/03/02/1080540302.db2.gz HPEUUACHVYHJOV-OAQYLSRUSA-N 0 0 417.509 2.888 20 30 HFEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 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TXJBAPIODSTGTK-SFHVURJKSA-N 0 0 409.442 2.606 20 30 HFEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1 ZINC000807400220 1080594684 /nfs/dbraw/zinc/59/46/84/1080594684.db2.gz IHIAJLSWBGFNDS-LBPRGKRZSA-N 0 0 400.410 2.764 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000807403614 1080598580 /nfs/dbraw/zinc/59/85/80/1080598580.db2.gz LEUJKFDFROPWCG-UHFFFAOYSA-N 0 0 403.341 2.797 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC ZINC000807403693 1080599166 /nfs/dbraw/zinc/59/91/66/1080599166.db2.gz AQJDVHRXACAHET-UHFFFAOYSA-N 0 0 403.482 2.976 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000807406250 1080599810 /nfs/dbraw/zinc/59/98/10/1080599810.db2.gz KUBHHPZRFPNWBM-UHFFFAOYSA-N 0 0 407.861 2.580 20 30 HFEDRN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)c1C#N ZINC000807415411 1080615550 /nfs/dbraw/zinc/61/55/50/1080615550.db2.gz VRWWRAKMVRAGBN-QGZVFWFLSA-N 0 0 412.490 2.855 20 30 HFEDRN C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC000807417524 1080618204 /nfs/dbraw/zinc/61/82/04/1080618204.db2.gz ZUGDGJLIACPTNH-MOPGFXCFSA-N 0 0 417.506 2.831 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000807465324 1080642526 /nfs/dbraw/zinc/64/25/26/1080642526.db2.gz HWXKVMPGBIFXBF-LEWJYISDSA-N 0 0 417.575 2.657 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000807470471 1080652151 /nfs/dbraw/zinc/65/21/51/1080652151.db2.gz SDPHBNBGBPKQPM-LJQANCHMSA-N 0 0 411.468 2.917 20 30 HFEDRN CN(CC(=O)N(c1cccc(C#N)c1)C1CCC1)C1=NS(=O)(=O)c2ccccc21 ZINC001130953311 1080661152 /nfs/dbraw/zinc/66/11/52/1080661152.db2.gz XUEARVZDNYYKLL-UHFFFAOYSA-N 0 0 408.483 2.525 20 30 HFEDRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000807485194 1080666788 /nfs/dbraw/zinc/66/67/88/1080666788.db2.gz KNOBPBYBOONHLB-OAHLLOKOSA-N 0 0 409.870 2.674 20 30 HFEDRN Cc1cc(C#N)cc(N(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C2CC2)n1 ZINC001130968093 1080676915 /nfs/dbraw/zinc/67/69/15/1080676915.db2.gz NIXGBFMDHALSKI-UHFFFAOYSA-N 0 0 403.402 2.619 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807489753 1080678682 /nfs/dbraw/zinc/67/86/82/1080678682.db2.gz VWHRGJYKEDKBAQ-WBMJQRKESA-N 0 0 421.375 2.785 20 30 HFEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)c1nccn1-c1ccccc1 ZINC000807494777 1080688176 /nfs/dbraw/zinc/68/81/76/1080688176.db2.gz MWKZMOPNEDVXBU-CQSZACIVSA-N 0 0 407.405 2.730 20 30 HFEDRN C#Cc1cncc(C(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)c1 ZINC000807483245 1080738841 /nfs/dbraw/zinc/73/88/41/1080738841.db2.gz HKPSDHWDQJFDER-UHFFFAOYSA-N 0 0 406.305 2.665 20 30 HFEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(C2(O)COC2)cc1 ZINC000807532789 1080747388 /nfs/dbraw/zinc/74/73/88/1080747388.db2.gz ZHEBNWGGUAVECU-AWEZNQCLSA-N 0 0 411.483 2.733 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)C(C)(C)C ZINC000807534775 1080749782 /nfs/dbraw/zinc/74/97/82/1080749782.db2.gz MJTZKNYJFAHDER-NRFANRHFSA-N 0 0 416.477 2.976 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)C ZINC000807536048 1080751346 /nfs/dbraw/zinc/75/13/46/1080751346.db2.gz JMTLRONYAPGIIN-INIZCTEOSA-N 0 0 411.424 2.645 20 30 HFEDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000328608099 569419322 /nfs/dbraw/zinc/41/93/22/569419322.db2.gz XYTMCHYWDBISRC-SKDZVZGDSA-N 0 0 406.508 2.907 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)cc(Cl)n1 ZINC001164652624 719303575 /nfs/dbraw/zinc/30/35/75/719303575.db2.gz NRIYBBBSGSWOPQ-WBHUJUFNSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164679356 719540795 /nfs/dbraw/zinc/54/07/95/719540795.db2.gz YGQXMKYLAHORAN-KBMXLJTQSA-N 0 0 410.852 2.758 20 30 HFEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001164693362 719770523 /nfs/dbraw/zinc/77/05/23/719770523.db2.gz YZMCDOLFSJOSHR-JKSUJKDBSA-N 0 0 403.820 2.926 20 30 HFEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001164819003 720263859 /nfs/dbraw/zinc/26/38/59/720263859.db2.gz OUHSEUMMZHJJDB-AWEZNQCLSA-N 0 0 420.851 2.607 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21 ZINC001164822163 720419082 /nfs/dbraw/zinc/41/90/82/720419082.db2.gz BYZRCQPBYZHWQN-KFWWJZLASA-N 0 0 412.868 2.765 20 30 HFEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@@H]21 ZINC001164828608 720421274 /nfs/dbraw/zinc/42/12/74/720421274.db2.gz YJGOMMVEFOAOFQ-RBSFLKMASA-N 0 0 412.868 2.765 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1 ZINC001164848503 720810466 /nfs/dbraw/zinc/81/04/66/720810466.db2.gz CUGVBMAHCMCSLM-ZIAGYGMSSA-N 0 0 403.820 2.641 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@H]3C2)c1 ZINC001164849395 720811472 /nfs/dbraw/zinc/81/14/72/720811472.db2.gz GRAHRLNTYWWDTI-GJZGRUSLSA-N 0 0 403.820 2.641 20 30 HFEDRN 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N#Cc1cc(C(F)(F)N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)cc(Cl)n1 ZINC001164885085 721364282 /nfs/dbraw/zinc/36/42/82/721364282.db2.gz WSLVUZGMTDKVEX-CVEARBPZSA-N 0 0 422.794 2.911 20 30 HFEDRN N#Cc1cc(C(F)(F)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)cc(Cl)n1 ZINC001164885091 721364342 /nfs/dbraw/zinc/36/43/42/721364342.db2.gz WSLVUZGMTDKVEX-JKSUJKDBSA-N 0 0 422.794 2.911 20 30 HFEDRN Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)CC2=O)cn1 ZINC001164887230 721370186 /nfs/dbraw/zinc/37/01/86/721370186.db2.gz POQTWMQWWPAUJN-KRWDZBQOSA-N 0 0 406.824 2.518 20 30 HFEDRN Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)CC2=O)cn1 ZINC001164887484 721371315 /nfs/dbraw/zinc/37/13/15/721371315.db2.gz SCBOQPPRSZAXJC-KRWDZBQOSA-N 0 0 406.824 2.518 20 30 HFEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164806026 721607393 /nfs/dbraw/zinc/60/73/93/721607393.db2.gz QSTFLLVMKHIFFW-KSSFIOAISA-N 0 0 423.851 2.803 20 30 HFEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1 ZINC001164802249 721607838 /nfs/dbraw/zinc/60/78/38/721607838.db2.gz HPZXIAITMFQLQQ-QAPCUYQASA-N 0 0 423.851 2.803 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001165007513 721695903 /nfs/dbraw/zinc/69/59/03/721695903.db2.gz DJJAGLWBPBNAJE-UHFFFAOYSA-N 0 0 409.872 2.994 20 30 HFEDRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001165009806 721705173 /nfs/dbraw/zinc/70/51/73/721705173.db2.gz DUKCJNNFPOFEIA-UHFFFAOYSA-N 0 0 409.872 2.994 20 30 HFEDRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001165011897 721738336 /nfs/dbraw/zinc/73/83/36/721738336.db2.gz WIBGMLXLALCVMT-UHFFFAOYSA-N 0 0 411.884 2.675 20 30 HFEDRN COc1cc(C(F)(F)N2C[C@@H]3C(=O)N(c4cccnc4)C[C@H]3C2)c(C#N)c(Cl)n1 ZINC001165024884 721791407 /nfs/dbraw/zinc/79/14/07/721791407.db2.gz UFIVLFFKUIHAKH-RISCZKNCSA-N 0 0 419.819 2.654 20 30 HFEDRN CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCN(CCOc2ccccc2)CC1 ZINC001165045012 721961524 /nfs/dbraw/zinc/96/15/24/721961524.db2.gz RYJUELQQJYBLIB-IBGZPJMESA-N 0 0 423.517 2.626 20 30 HFEDRN COc1cc(C(F)(F)N2CCN(CCc3ccccn3)CC2)c(C#N)c(Cl)n1 ZINC001165056281 722014936 /nfs/dbraw/zinc/01/49/36/722014936.db2.gz RSCUMNPWGKETOV-UHFFFAOYSA-N 0 0 407.852 2.920 20 30 HFEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CCO2 ZINC001164973795 722166533 /nfs/dbraw/zinc/16/65/33/722166533.db2.gz DFBZYKWYMRLETE-FZKQIMNGSA-N 0 0 415.868 2.957 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3[nH]c(C#N)cc3n1)C2 ZINC001165006934 722267530 /nfs/dbraw/zinc/26/75/30/722267530.db2.gz OQOKDOFQBXVOPQ-QFIPXVFZSA-N 0 0 404.449 2.501 20 30 HFEDRN C=CC[C@]1(C(=O)NCc2nnnn2-c2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000790516951 1078049173 /nfs/dbraw/zinc/04/91/73/1078049173.db2.gz KTKYTTMHLAWTCO-OAQYLSRUSA-N 0 0 412.494 2.624 20 30 HFEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CCC(=O)c3cccn32)n1 ZINC000790526565 1078051051 /nfs/dbraw/zinc/05/10/51/1078051051.db2.gz YJBJLSKSSCSSQW-ZDUSSCGKSA-N 0 0 414.516 2.758 20 30 HFEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793071085 1078062573 /nfs/dbraw/zinc/06/25/73/1078062573.db2.gz HGYISRCESYLNRV-UHFFFAOYSA-N 0 0 413.424 2.654 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000793053653 1078057214 /nfs/dbraw/zinc/05/72/14/1078057214.db2.gz FMHGNIYYJYPWBF-HNNXBMFYSA-N 0 0 417.481 2.976 20 30 HFEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000790543326 1078059264 /nfs/dbraw/zinc/05/92/64/1078059264.db2.gz OYJCUCAXZVZJGU-HNNXBMFYSA-N 0 0 414.474 2.534 20 30 HFEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2ccc(Cl)cc2-n2cncn2)C1 ZINC000793079613 1078063637 /nfs/dbraw/zinc/06/36/37/1078063637.db2.gz ZWVGGSIMBTXGKO-GDBMZVCRSA-N 0 0 402.886 2.769 20 30 HFEDRN N#Cc1ccc([C@@H](OC(=O)COc2ccc(Oc3ccccn3)cc2)C(N)=O)cc1 ZINC000746932148 1078070187 /nfs/dbraw/zinc/07/01/87/1078070187.db2.gz VVNKWPJRCLKESS-OAQYLSRUSA-N 0 0 403.394 2.894 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC000793100727 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411.499 2.906 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000790844850 1078146268 /nfs/dbraw/zinc/14/62/68/1078146268.db2.gz VYFXPLRBDJHPSS-UHFFFAOYSA-N 0 0 409.432 2.688 20 30 HFEDRN Cc1ccc(N2CCC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)cc1 ZINC000790850095 1078148580 /nfs/dbraw/zinc/14/85/80/1078148580.db2.gz DGQBKXXJDWAQDA-LJQANCHMSA-N 0 0 401.463 2.621 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC000790854661 1078151675 /nfs/dbraw/zinc/15/16/75/1078151675.db2.gz GNSRHBGGAWEBBD-GOSISDBHSA-N 0 0 409.504 2.535 20 30 HFEDRN C=CCOC(=O)N1CCC(OC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000790854766 1078151690 /nfs/dbraw/zinc/15/16/90/1078151690.db2.gz IITPTVXMUMHHSF-LJQANCHMSA-N 0 0 400.447 2.666 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 ZINC000793371547 1078151752 /nfs/dbraw/zinc/15/17/52/1078151752.db2.gz HSSDUTBFOJYBHN-APWZRJJASA-N 0 0 401.484 2.540 20 30 HFEDRN 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Cc1nc(C#N)c(N2CCC(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)o1 ZINC000793641698 1078239121 /nfs/dbraw/zinc/23/91/21/1078239121.db2.gz ZVCVOGFEQFJMMU-UHFFFAOYSA-N 0 0 403.826 2.949 20 30 HFEDRN N#Cc1ccncc1N1CCN(Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000793676296 1078250394 /nfs/dbraw/zinc/25/03/94/1078250394.db2.gz YZOIPVXNXNDNII-UHFFFAOYSA-N 0 0 411.560 2.765 20 30 HFEDRN N#Cc1ccncc1N1CCN(Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 ZINC000793672149 1078247659 /nfs/dbraw/zinc/24/76/59/1078247659.db2.gz HBSISDIVZCJINH-UHFFFAOYSA-N 0 0 424.578 2.786 20 30 HFEDRN Cc1cccc(-c2nn(CN3CCN(c4cnccc4C#N)CC3)c(=S)n2C)c1 ZINC000793675045 1078250108 /nfs/dbraw/zinc/25/01/08/1078250108.db2.gz SSRFSFCRFBDNKE-UHFFFAOYSA-N 0 0 405.531 2.973 20 30 HFEDRN C=CCn1c(COc2ccccc2F)nn(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1=S ZINC000793656304 1078258522 /nfs/dbraw/zinc/25/85/22/1078258522.db2.gz RYBCGXYIYPPDGZ-UOIKSKOESA-N 0 0 418.494 2.626 20 30 HFEDRN Cc1ccc(N2C(=O)C[C@H](N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1Cl ZINC000793707808 1078277354 /nfs/dbraw/zinc/27/73/54/1078277354.db2.gz WESSXLWNYAJTDI-WMZOPIPTSA-N 0 0 410.861 2.700 20 30 HFEDRN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000793792417 1078298355 /nfs/dbraw/zinc/29/83/55/1078298355.db2.gz OVFADDASBGUTAW-SFHVURJKSA-N 0 0 421.497 2.820 20 30 HFEDRN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000793809660 1078314404 /nfs/dbraw/zinc/31/44/04/1078314404.db2.gz QAHROIBQRLXVHE-UHFFFAOYSA-N 0 0 416.485 2.501 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)c1ccncc1 ZINC000793899766 1078332846 /nfs/dbraw/zinc/33/28/46/1078332846.db2.gz RHJWJUSWWRIIIP-LJQANCHMSA-N 0 0 407.449 2.765 20 30 HFEDRN N#Cc1ccc([C@H](O)C(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1 ZINC000793990130 1078357963 /nfs/dbraw/zinc/35/79/63/1078357963.db2.gz VXXLQZCLCZGUDA-INIZCTEOSA-N 0 0 413.231 2.721 20 30 HFEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccnc2F)cc1[N+](=O)[O-] ZINC000794012903 1078361392 /nfs/dbraw/zinc/36/13/92/1078361392.db2.gz KDZZDTZPLPSXPK-UHFFFAOYSA-N 0 0 424.392 2.845 20 30 HFEDRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)OC(C)(C)C#N)c1 ZINC000794018581 1078361841 /nfs/dbraw/zinc/36/18/41/1078361841.db2.gz ANSDJNLYYSVQOQ-UHFFFAOYSA-N 0 0 403.298 2.939 20 30 HFEDRN C#C[C@H](NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C)c1ccc(Cl)cc1 ZINC000794050285 1078366009 /nfs/dbraw/zinc/36/60/09/1078366009.db2.gz FUBAMWJKAKHCFW-SFHVURJKSA-N 0 0 413.905 2.747 20 30 HFEDRN CC(C)Cc1ncc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 ZINC000772842049 1078366197 /nfs/dbraw/zinc/36/61/97/1078366197.db2.gz MTUUYKLDIOQSQE-UHFFFAOYSA-N 0 0 421.592 2.724 20 30 HFEDRN C=CC[C@@]1(C(=O)N(CCO)Cc2ccnn2CC)CCCN1C(=O)OC(C)(C)C ZINC000794055637 1078366948 /nfs/dbraw/zinc/36/69/48/1078366948.db2.gz ADBXCSNNCUSQFT-NRFANRHFSA-N 0 0 406.527 2.570 20 30 HFEDRN C[C@@H](CC(=O)N[C@@H]1CCCc2ccc(F)cc21)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000794059544 1078367626 /nfs/dbraw/zinc/36/76/26/1078367626.db2.gz WIPVWEQUGMWXTK-SCLBCKFNSA-N 0 0 415.490 2.837 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2OC)OC)ccc1F 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/nfs/dbraw/zinc/85/01/19/1077850119.db2.gz IVEOHQMVAZXKGQ-HUUCEWRRSA-N 0 0 418.494 2.678 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000792448126 1077853621 /nfs/dbraw/zinc/85/36/21/1077853621.db2.gz HZOMLFYTWJSVDS-OAHLLOKOSA-N 0 0 402.447 2.515 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)[C@H]2CC[C@H](C)C2)cc1C#N ZINC000792451579 1077855347 /nfs/dbraw/zinc/85/53/47/1077855347.db2.gz BWMREDSSPZQKEP-YOEHRIQHSA-N 0 0 416.478 2.729 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000792453468 1077856580 /nfs/dbraw/zinc/85/65/80/1077856580.db2.gz DECKBQYDBCVHPW-JTQLQIEISA-N 0 0 422.201 2.642 20 30 HFEDRN C[C@@H](OC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000792456242 1077856810 /nfs/dbraw/zinc/85/68/10/1077856810.db2.gz OWYGSYVJCWICIA-SNVBAGLBSA-N 0 0 424.837 2.938 20 30 HFEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)Cc2ccc3c[nH]nc3c2)c1 ZINC000789960240 1077870324 /nfs/dbraw/zinc/87/03/24/1077870324.db2.gz PMCRAYDACSURMJ-LYBHJNIJSA-N 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COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccccn2)c(OC)c1 ZINC000789988762 1077888056 /nfs/dbraw/zinc/88/80/56/1077888056.db2.gz AHBWHZAMTVOAIU-UHFFFAOYSA-N 0 0 421.486 2.872 20 30 HFEDRN Cc1nc(F)ccc1C=Nn1c(-c2cnn(C)n2)csc1=NCCc1ccccn1 ZINC000789992174 1077892880 /nfs/dbraw/zinc/89/28/80/1077892880.db2.gz VVAFCWWFGUQFME-UHFFFAOYSA-N 0 0 422.493 2.608 20 30 HFEDRN COC(=O)[C@H](CS[C@@H](C)C(=O)/C=C1\N(C)c2ccccc2C1(C)C)NC(C)=O ZINC000790002619 1077898970 /nfs/dbraw/zinc/89/89/70/1077898970.db2.gz FUMYMODVKDOCCW-GZAJEKFCSA-N 0 0 404.532 2.666 20 30 HFEDRN N#Cc1cccc(OCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000772798030 1077900082 /nfs/dbraw/zinc/90/00/82/1077900082.db2.gz LZTXGTHMBYYCCJ-QGZVFWFLSA-N 0 0 414.259 2.621 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCCCOC)c2ccccc2)c1 ZINC000792554267 1077900933 /nfs/dbraw/zinc/90/09/33/1077900933.db2.gz CHURUUYIGQZKSJ-NRFANRHFSA-N 0 0 414.527 2.886 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccccc1F ZINC000747080278 1077901041 /nfs/dbraw/zinc/90/10/41/1077901041.db2.gz MSMIXGKMGSHHFP-UHFFFAOYSA-N 0 0 413.380 2.666 20 30 HFEDRN CCOC(=O)C1=C(C(C)=O)[C@H](c2cnn(Cc3ccccc3)c2Cl)NC(=S)N1 ZINC000790032668 1077903996 /nfs/dbraw/zinc/90/39/96/1077903996.db2.gz HKNIFCBOLCDCPP-HNNXBMFYSA-N 0 0 418.906 2.510 20 30 HFEDRN COc1cc(OC)cc(N2C[C@@H](C(=O)OCc3ccc(OC)c(C#N)c3)CC2=O)c1 ZINC000747079392 1077904299 /nfs/dbraw/zinc/90/42/99/1077904299.db2.gz CCIKBBIICIUNJK-INIZCTEOSA-N 0 0 410.426 2.680 20 30 HFEDRN COc1cc(OC)cc(N2C[C@H](C(=O)OCc3ccc(OC)c(C#N)c3)CC2=O)c1 ZINC000747079393 1077904389 /nfs/dbraw/zinc/90/43/89/1077904389.db2.gz CCIKBBIICIUNJK-MRXNPFEDSA-N 0 0 410.426 2.680 20 30 HFEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NCc1ccc(C#N)s1 ZINC001170208509 1077907464 /nfs/dbraw/zinc/90/74/64/1077907464.db2.gz JSPULITZBUOSTP-UHFFFAOYSA-N 0 0 420.560 2.567 20 30 HFEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CCC)[C@@H](O)c2ccccc2)ccc1F ZINC000792564777 1077912896 /nfs/dbraw/zinc/91/28/96/1077912896.db2.gz XTWKNVPBBUPQAR-ICSRJNTNSA-N 0 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ZINC000790070519 1077921350 /nfs/dbraw/zinc/92/13/50/1077921350.db2.gz BORCTPJKJRRJCT-MRXNPFEDSA-N 0 0 417.510 2.587 20 30 HFEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC000792590594 1077925592 /nfs/dbraw/zinc/92/55/92/1077925592.db2.gz YFYRUVOTZJDVND-WOJBJXKFSA-N 0 0 409.877 2.637 20 30 HFEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1NC1CC1 ZINC001170249382 1077927388 /nfs/dbraw/zinc/92/73/88/1077927388.db2.gz SISWFVUSRMVWPS-LBPRGKRZSA-N 0 0 402.451 2.577 20 30 HFEDRN N#Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 ZINC000772807683 1077933423 /nfs/dbraw/zinc/93/34/23/1077933423.db2.gz UYQLTOAOFQJDEH-VMPITWQZSA-N 0 0 400.431 2.614 20 30 HFEDRN COc1ccc(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1C#N ZINC000746876170 1077935620 /nfs/dbraw/zinc/93/56/20/1077935620.db2.gz BTPSWWXLSWOQKU-CEXWTWQISA-N 0 0 409.486 2.549 20 30 HFEDRN N#CCOc1ccccc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000792611009 1077936214 /nfs/dbraw/zinc/93/62/14/1077936214.db2.gz IHQGSFLRIFQNST-KRWDZBQOSA-N 0 0 419.359 2.801 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000790106113 1077938030 /nfs/dbraw/zinc/93/80/30/1077938030.db2.gz RLCGKUSXCFNQCO-UHFFFAOYSA-N 0 0 418.538 2.529 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)n(Cc3ccncc3)c2C)n1 ZINC000790107843 1077938352 /nfs/dbraw/zinc/93/83/52/1077938352.db2.gz NATFZUUGVDNSHN-UHFFFAOYSA-N 0 0 405.502 2.667 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000790110528 1077940269 /nfs/dbraw/zinc/94/02/69/1077940269.db2.gz VJLKPXUUKZJVLB-OXJNMPFZSA-N 0 0 416.884 2.877 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2c(F)cccc2I)n1 ZINC000790117668 1077943827 /nfs/dbraw/zinc/94/38/27/1077943827.db2.gz CJVXUPMGOOZSEH-UHFFFAOYSA-N 0 0 411.218 2.922 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)n1 ZINC000790118275 1077944228 /nfs/dbraw/zinc/94/42/28/1077944228.db2.gz SHVLYSGOHAXMEA-UHFFFAOYSA-N 0 0 402.380 2.778 20 30 HFEDRN Cc1nc(CN2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)oc1C ZINC000772747753 1077946492 /nfs/dbraw/zinc/94/64/92/1077946492.db2.gz VBFUSCTUJVSTGP-MRXNPFEDSA-N 0 0 409.515 2.895 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000790105596 1077950571 /nfs/dbraw/zinc/95/05/71/1077950571.db2.gz RISYUKGCRTYIGM-UHFFFAOYSA-N 0 0 400.788 2.872 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2c(Cl)nccc2C(F)(F)F)n1 ZINC000790105816 1077950591 /nfs/dbraw/zinc/95/05/91/1077950591.db2.gz CIASTPOUCFPDBV-UHFFFAOYSA-N 0 0 400.788 2.872 20 30 HFEDRN N#Cc1ccc(C[S@@](=O)Cc2nnnn2-c2ccc(OC(F)F)cc2)cc1F ZINC000790140318 1077955112 /nfs/dbraw/zinc/95/51/12/1077955112.db2.gz RVXFUZSQBRHTTB-MUUNZHRXSA-N 0 0 407.377 2.723 20 30 HFEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000792653911 1077959483 /nfs/dbraw/zinc/95/94/83/1077959483.db2.gz JVBQZRCGOZFVLJ-LJQANCHMSA-N 0 0 414.421 2.986 20 30 HFEDRN CCOc1ccccc1OCC1N=NC(=S)N1N=Cc1cc(C(=O)OC)n(C)c1 ZINC000790153109 1077960252 /nfs/dbraw/zinc/96/02/52/1077960252.db2.gz CWZPNLXHCPAYLD-UHFFFAOYSA-N 0 0 415.475 2.552 20 30 HFEDRN Cc1cc(-n2c(C)cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C)no1 ZINC000792660418 1077961497 /nfs/dbraw/zinc/96/14/97/1077961497.db2.gz VGGNFUMDHCATFE-HXUWFJFHSA-N 0 0 417.469 2.793 20 30 HFEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCC12CC2 ZINC001170129343 1077965467 /nfs/dbraw/zinc/96/54/67/1077965467.db2.gz JANNEBLCIAZPTH-RDJZCZTQSA-N 0 0 403.548 2.980 20 30 HFEDRN Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1ccc(C#N)s1 ZINC000792676871 1077971401 /nfs/dbraw/zinc/97/14/01/1077971401.db2.gz UIFLYNJUCFPKSH-UHFFFAOYSA-N 0 0 416.507 2.537 20 30 HFEDRN C=CCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000790183437 1077973056 /nfs/dbraw/zinc/97/30/56/1077973056.db2.gz NOKZUBKEBVKPLP-UHFFFAOYSA-N 0 0 414.833 2.789 20 30 HFEDRN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Oc1cccc(F)c1C#N ZINC000790241344 1077974959 /nfs/dbraw/zinc/97/49/59/1077974959.db2.gz 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407.474 2.977 20 30 HFEDRN C#Cc1cncc(C(=O)NCc2ccc([C@H](C)NC(=O)c3cncc(C#C)c3)cc2)c1 ZINC000807227247 1080387245 /nfs/dbraw/zinc/38/72/45/1080387245.db2.gz VMQSVWRYMXBRHB-KRWDZBQOSA-N 0 0 408.461 2.860 20 30 HFEDRN C=CCCSCCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC001130881668 1080390294 /nfs/dbraw/zinc/39/02/94/1080390294.db2.gz MJESNCWGJSTTIC-UHFFFAOYSA-N 0 0 421.382 2.739 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCc4ncsc4C3)c2)s1 ZINC000807248941 1080405981 /nfs/dbraw/zinc/40/59/81/1080405981.db2.gz ZMHDKOYJPPTZQH-UHFFFAOYSA-N 0 0 408.508 2.944 20 30 HFEDRN CN(C)c1cccc(CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 ZINC000807248530 1080406607 /nfs/dbraw/zinc/40/66/07/1080406607.db2.gz ARFDBNSKHATVPR-UHFFFAOYSA-N 0 0 419.510 2.680 20 30 HFEDRN C[C@@]1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000807250217 1080406840 /nfs/dbraw/zinc/40/68/40/1080406840.db2.gz VCABNLPLXLGORL-NRFANRHFSA-N 0 0 409.877 2.839 20 30 HFEDRN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)Nc2ccccc2)C1=O 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CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000807305602 1080499328 /nfs/dbraw/zinc/49/93/28/1080499328.db2.gz XHPYUPDNAPTNIE-KRWDZBQOSA-N 0 0 410.434 2.542 20 30 HFEDRN N#CCn1cc(NC(=O)C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cn1 ZINC000807316548 1080510189 /nfs/dbraw/zinc/51/01/89/1080510189.db2.gz TZHDJWZOMRXPCZ-HNNXBMFYSA-N 0 0 407.352 2.511 20 30 HFEDRN CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000807360554 1080522783 /nfs/dbraw/zinc/52/27/83/1080522783.db2.gz MTVQOVXOCFRZEI-UHFFFAOYSA-N 0 0 400.479 2.644 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc2c1OCCC2=O)c1ccc(Cl)cc1F ZINC000807327696 1080526332 /nfs/dbraw/zinc/52/63/32/1080526332.db2.gz DEXVYKFSNJBEEC-HNNXBMFYSA-N 0 0 400.793 2.874 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000807330369 1080530584 /nfs/dbraw/zinc/53/05/84/1080530584.db2.gz OASFRVIJNMSKRZ-RBAQFSTRSA-N 0 0 419.481 2.947 20 30 HFEDRN N#CCOc1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000807330469 1080530653 /nfs/dbraw/zinc/53/06/53/1080530653.db2.gz OXGMTULSVIUIRQ-QHAWAJNXSA-N 0 0 405.454 2.559 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1F ZINC000807331979 1080531049 /nfs/dbraw/zinc/53/10/49/1080531049.db2.gz XOLPCBZNYZFGJD-KRWDZBQOSA-N 0 0 401.825 2.610 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000807332701 1080532484 /nfs/dbraw/zinc/53/24/84/1080532484.db2.gz CPFHGKVVNRMFTR-RHSMWYFYSA-N 0 0 416.478 2.607 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000807335271 1080534373 /nfs/dbraw/zinc/53/43/73/1080534373.db2.gz GHVQUIZYYZWGOX-WOIUINJBSA-N 0 0 419.525 2.990 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000807335273 1080534480 /nfs/dbraw/zinc/53/44/80/1080534480.db2.gz GHVQUIZYYZWGOX-XQBPLPMBSA-N 0 0 419.525 2.990 20 30 HFEDRN C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000807335842 1080536221 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COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]([C@H](O)c4nccn4C)C3)c2c1 ZINC000804562267 1078596733 /nfs/dbraw/zinc/59/67/33/1078596733.db2.gz XRRNUELWEGATEO-QKKBWIMNSA-N 0 0 407.474 2.807 20 30 HFEDRN Cn1cc(N2C[C@H](C(=O)Nc3cccc(OC(F)(F)F)c3C#N)CCC2=O)cn1 ZINC001129630332 1078602995 /nfs/dbraw/zinc/60/29/95/1078602995.db2.gz IDZAXCCHFQSIQV-LLVKDONJSA-N 0 0 407.352 2.572 20 30 HFEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1ccccc1I ZINC001129928554 1078623107 /nfs/dbraw/zinc/62/31/07/1078623107.db2.gz VZVKEUDLWYELKX-JSGCOSHPSA-N 0 0 401.244 2.767 20 30 HFEDRN CCn1ncc2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc21 ZINC000747214917 1078633450 /nfs/dbraw/zinc/63/34/50/1078633450.db2.gz VYUVQYHDFMGZES-UHFFFAOYSA-N 0 0 411.487 2.514 20 30 HFEDRN COC[C@]1(CNC(=O)CNc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C ZINC000804789068 1078645218 /nfs/dbraw/zinc/64/52/18/1078645218.db2.gz AGTZIDMQKRLMGU-OAQYLSRUSA-N 0 0 402.495 2.502 20 30 HFEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCN(c4ncccc4F)CC3)C2)c(F)c1 ZINC000804608641 1078655426 /nfs/dbraw/zinc/65/54/26/1078655426.db2.gz DGYIWDHRJBJESB-QGZVFWFLSA-N 0 0 411.456 2.797 20 30 HFEDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000804825298 1078664060 /nfs/dbraw/zinc/66/40/60/1078664060.db2.gz MSGNDTHSJAXWCW-UHFFFAOYSA-N 0 0 415.515 2.670 20 30 HFEDRN CSCC[C@H](C(=O)Nc1cc(C#N)ccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001129715738 1078670184 /nfs/dbraw/zinc/67/01/84/1078670184.db2.gz NMGLQLWIRVZJEP-CKEIUWERSA-N 0 0 403.479 2.933 20 30 HFEDRN C#C[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(Cl)cc1 ZINC001129723325 1078674269 /nfs/dbraw/zinc/67/42/69/1078674269.db2.gz UOPRIGAYDMQEEL-PBHICJAKSA-N 0 0 419.909 2.598 20 30 HFEDRN N#C[C@H]1CCC[C@H](OC(=O)c2cc(I)ccc2-n2cnnn2)C1 ZINC001129725414 1078675274 /nfs/dbraw/zinc/67/52/74/1078675274.db2.gz VDBVSKMYMWKNNO-JQWIXIFHSA-N 0 0 423.214 2.506 20 30 HFEDRN N#Cc1ccc(OC2CCN(C(=O)c3cnc(C4OCCO4)s3)CC2)c(F)c1 ZINC000804626297 1078676386 /nfs/dbraw/zinc/67/63/86/1078676386.db2.gz RIEMUZYXELTYNE-UHFFFAOYSA-N 0 0 403.435 2.883 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000804835122 1078677664 /nfs/dbraw/zinc/67/76/64/1078677664.db2.gz ZJNYJEXQOBQZJR-UHFFFAOYSA-N 0 0 400.425 2.907 20 30 HFEDRN C#C[C@@H](NC(=O)Cn1nnnc1-c1ccsc1)c1ccc(Br)cc1 ZINC001129731843 1078680421 /nfs/dbraw/zinc/68/04/21/1078680421.db2.gz ZQPHCJDHJGAJOI-CQSZACIVSA-N 0 0 402.277 2.655 20 30 HFEDRN N#Cc1ccc(N2CC[C@H](C(=O)NCCCNC(=O)/C=C\c3ccccc3)C2)c(F)c1 ZINC000804650527 1078707488 /nfs/dbraw/zinc/70/74/88/1078707488.db2.gz OPNADBQBISXYCC-WSCHBXBGSA-N 0 0 420.488 2.860 20 30 HFEDRN COc1ccc(C2=NO[C@H](CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)cc1 ZINC000804650603 1078707601 /nfs/dbraw/zinc/70/76/01/1078707601.db2.gz QKQAIGXDVLYXFK-HKUYNNGSSA-N 0 0 422.460 2.842 20 30 HFEDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC001129983432 1078709387 /nfs/dbraw/zinc/70/93/87/1078709387.db2.gz BJCRPLNUEVRIKE-CMJOXMDJSA-N 0 0 420.469 2.553 20 30 HFEDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)C2=O)cc1 ZINC001129983435 1078709416 /nfs/dbraw/zinc/70/94/16/1078709416.db2.gz BJCRPLNUEVRIKE-WNSKOXEYSA-N 0 0 420.469 2.553 20 30 HFEDRN CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2S1(=O)=O ZINC001129983797 1078710279 /nfs/dbraw/zinc/71/02/79/1078710279.db2.gz NLIXQXMILHTPGZ-AWEZNQCLSA-N 0 0 411.483 2.944 20 30 HFEDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000804885377 1078713604 /nfs/dbraw/zinc/71/36/04/1078713604.db2.gz PCVXQBWYQRGVPS-INIZCTEOSA-N 0 0 421.881 2.836 20 30 HFEDRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001129976839 1078728089 /nfs/dbraw/zinc/72/80/89/1078728089.db2.gz AMTGYEBZGZSDGZ-HXUWFJFHSA-N 0 0 420.513 2.669 20 30 HFEDRN COc1ccc(C#N)cc1CN1C(=O)c2ccc(Br)cc2S1(=O)=O ZINC000804920777 1078740955 /nfs/dbraw/zinc/74/09/55/1078740955.db2.gz OCMSSWJJNJZIOI-UHFFFAOYSA-N 0 0 407.245 2.674 20 30 HFEDRN C#CCCCS(=O)(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000804949447 1078777279 /nfs/dbraw/zinc/77/72/79/1078777279.db2.gz NNFGKYYSHZUYBL-UHFFFAOYSA-N 0 0 411.571 2.842 20 30 HFEDRN CN(CCCC(=O)Nc1ccc(Br)c(C#N)n1)C(=O)c1ccncc1 ZINC001130039931 1078791586 /nfs/dbraw/zinc/79/15/86/1078791586.db2.gz SIWDZTUBRMTDET-UHFFFAOYSA-N 0 0 402.252 2.602 20 30 HFEDRN C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nc(C(F)(F)F)no1 ZINC001130030267 1078803234 /nfs/dbraw/zinc/80/32/34/1078803234.db2.gz UZQNYJZHBHOIQS-SSDOTTSWSA-N 0 0 419.157 2.979 20 30 HFEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC001130037542 1078819998 /nfs/dbraw/zinc/81/99/98/1078819998.db2.gz XMZLWFXSQZQZSE-AWEZNQCLSA-N 0 0 407.474 2.615 20 30 HFEDRN C=CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccncc1 ZINC000805006061 1078851820 /nfs/dbraw/zinc/85/18/20/1078851820.db2.gz XDWPVNBLXOMTDT-CYBMUJFWSA-N 0 0 402.444 2.674 20 30 HFEDRN N#Cc1cccc(C2(NS(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)c1 ZINC000805044785 1078860094 /nfs/dbraw/zinc/86/00/94/1078860094.db2.gz FUDCLKXIFGGNDY-UHFFFAOYSA-N 0 0 412.439 2.522 20 30 HFEDRN C=CCN(CCc1ccco1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805059511 1078872159 /nfs/dbraw/zinc/87/21/59/1078872159.db2.gz VRBMUKRKHHMYLR-UHFFFAOYSA-N 0 0 423.434 2.993 20 30 HFEDRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc3c(c2C#N)COCC3)c1 ZINC001130064925 1078864683 /nfs/dbraw/zinc/86/46/83/1078864683.db2.gz LAINHWYZJRQSKY-UHFFFAOYSA-N 0 0 405.863 2.725 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000805051429 1078864957 /nfs/dbraw/zinc/86/49/57/1078864957.db2.gz VAVLITBRYKCVRT-BZPMIXESSA-N 0 0 419.391 2.979 20 30 HFEDRN N#Cc1c(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)ncc2c1COCC2 ZINC001130065373 1078864999 /nfs/dbraw/zinc/86/49/99/1078864999.db2.gz VTBWVZZJUNMTIM-INIZCTEOSA-N 0 0 400.232 2.731 20 30 HFEDRN CC(C)c1nnc2n1CCN(S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]2C ZINC000805073531 1078905585 /nfs/dbraw/zinc/90/55/85/1078905585.db2.gz NCGCMWRHBLRKIX-LLVKDONJSA-N 0 0 424.324 2.801 20 30 HFEDRN C[C@@H]1C[C@H]1c1cc(NC(=O)CCCCCN=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000747227099 1078908137 /nfs/dbraw/zinc/90/81/37/1078908137.db2.gz JFCDXTJHCSBWSY-UKRRQHHQSA-N 0 0 415.519 2.771 20 30 HFEDRN CC1(C)CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)[C@H]1C#N ZINC000805080410 1078911332 /nfs/dbraw/zinc/91/13/32/1078911332.db2.gz JXJLCKHNVZDGKF-ZDUSSCGKSA-N 0 0 410.439 2.683 20 30 HFEDRN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000805091481 1078918438 /nfs/dbraw/zinc/91/84/38/1078918438.db2.gz KTTGJBCWOODMFJ-UHFFFAOYSA-N 0 0 407.584 2.714 20 30 HFEDRN Cc1c(Br)cccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000805092335 1078919464 /nfs/dbraw/zinc/91/94/64/1078919464.db2.gz AMQDXJUKXMZOSO-UHFFFAOYSA-N 0 0 421.320 2.535 20 30 HFEDRN COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805122457 1078921658 /nfs/dbraw/zinc/92/16/58/1078921658.db2.gz XLEWIOCGBMZVRX-CQSZACIVSA-N 0 0 400.378 2.598 20 30 HFEDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000805129138 1078928886 /nfs/dbraw/zinc/92/88/86/1078928886.db2.gz JLXVVZXLHBLJMO-HZMBPMFUSA-N 0 0 401.435 2.513 20 30 HFEDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805137377 1078935183 /nfs/dbraw/zinc/93/51/83/1078935183.db2.gz ONDXWXLIIPIAIH-SJORKVTESA-N 0 0 402.470 2.603 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C4CCCC4)C3)CC2)cc1 ZINC001130093085 1078937821 /nfs/dbraw/zinc/93/78/21/1078937821.db2.gz FWIUIWSOPLYVCV-FQEVSTJZSA-N 0 0 415.559 2.998 20 30 HFEDRN COc1ccc(C(=O)NCC(=O)OCc2ccc(Br)cc2C#N)cc1 ZINC000805336613 1079024834 /nfs/dbraw/zinc/02/48/34/1079024834.db2.gz VAXUEMGEYPPIIU-UHFFFAOYSA-N 0 0 403.232 2.803 20 30 HFEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCCCSCC#N)C2)s1 ZINC000805360937 1079046354 /nfs/dbraw/zinc/04/63/54/1079046354.db2.gz ODHSPOLUPAMTOX-AWEZNQCLSA-N 0 0 402.563 2.647 20 30 HFEDRN N#Cc1cc(Br)ccc1COC(=O)CCc1nc(-c2ncccn2)no1 ZINC000805440467 1079066946 /nfs/dbraw/zinc/06/69/46/1079066946.db2.gz IIKHMVVUTMVFRA-UHFFFAOYSA-N 0 0 414.219 2.837 20 30 HFEDRN CCS(=O)(=O)c1ccc(CC(=O)OCCOc2ccc(C#N)cc2OC)cc1 ZINC000805442999 1079067709 /nfs/dbraw/zinc/06/77/09/1079067709.db2.gz LPLBAOWWOYSPCZ-UHFFFAOYSA-N 0 0 403.456 2.525 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000805445710 1079069742 /nfs/dbraw/zinc/06/97/42/1079069742.db2.gz AMXARZWCKJJBSY-HNNXBMFYSA-N 0 0 406.504 2.827 20 30 HFEDRN COc1cc(C#N)ccc1OCCOC(=O)[C@H](O)c1ccc(Br)cc1 ZINC000805455501 1079081617 /nfs/dbraw/zinc/08/16/17/1079081617.db2.gz CKXPLSVDUHCIHW-QGZVFWFLSA-N 0 0 406.232 2.985 20 30 HFEDRN O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cc(F)c(C(F)(F)F)cc1F ZINC000805463480 1079085532 /nfs/dbraw/zinc/08/55/32/1079085532.db2.gz CQSQTRHATVXNLS-NXVVXOECSA-N 0 0 404.291 2.943 20 30 HFEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3Cc4ccc(C#N)cc4C3)C2)cc1 ZINC001130215152 1079092270 /nfs/dbraw/zinc/09/22/70/1079092270.db2.gz YLBWWVLDYGJVJH-IBGZPJMESA-N 0 0 409.511 2.810 20 30 HFEDRN C=CCc1ccc(OCC(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c(OC)c1 ZINC001130223059 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COc1ccc(COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1C#N ZINC000746955332 1077258224 /nfs/dbraw/zinc/25/82/24/1077258224.db2.gz WSHCALRTTSVCKA-OTWHNJEPSA-N 0 0 410.470 2.976 20 30 HFEDRN COc1ccc(COC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1C#N ZINC000746955330 1077258336 /nfs/dbraw/zinc/25/83/36/1077258336.db2.gz WSHCALRTTSVCKA-CEXWTWQISA-N 0 0 410.470 2.976 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](O)c3ccc(OC(C)C)cc3)CC2)o1 ZINC000788663494 1077258924 /nfs/dbraw/zinc/25/89/24/1077258924.db2.gz VXULEDOYZOVAPX-HXUWFJFHSA-N 0 0 412.490 2.708 20 30 HFEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)CC2)o1 ZINC000788668565 1077261293 /nfs/dbraw/zinc/26/12/93/1077261293.db2.gz OCKJSJRFRRPMKD-DJJJIMSYSA-N 0 0 400.454 2.839 20 30 HFEDRN NC(=O)c1ccccc1C=NN1C(=S)N=NC1c1ccccc1Br ZINC000788705930 1077265658 /nfs/dbraw/zinc/26/56/58/1077265658.db2.gz ZRBLEMJEKMDGMH-UHFFFAOYSA-N 0 0 402.277 2.977 20 30 HFEDRN O=S(=O)(NC1CCCC1)c1ccc(N=NCC2CCC3(CC2)OCCO3)nc1 ZINC000788712165 1077268199 /nfs/dbraw/zinc/26/81/99/1077268199.db2.gz OHOGXMZCZSUVQB-UHFFFAOYSA-N 0 0 408.524 2.634 20 30 HFEDRN Cn1nc(Br)c2c1ncnc2N=NCC[C@H]1CCCCC12OCCO2 ZINC000788715329 1077268993 /nfs/dbraw/zinc/26/89/93/1077268993.db2.gz VDKLEWHSCAQXQT-LLVKDONJSA-N 0 0 409.288 2.847 20 30 HFEDRN C[C@H](CC(=O)N1CCc2cc(Cl)ccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000790983732 1077269625 /nfs/dbraw/zinc/26/96/25/1077269625.db2.gz XDRPZJNPIWLOCB-CYBMUJFWSA-N 0 0 417.918 2.742 20 30 HFEDRN C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000788694832 1077274714 /nfs/dbraw/zinc/27/47/14/1077274714.db2.gz XUXKQQUGDKVXSO-UHFFFAOYSA-N 0 0 415.437 2.514 20 30 HFEDRN COC(=O)COc1ccc(/C=C\C(=O)c2nnn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000788733327 1077284814 /nfs/dbraw/zinc/28/48/14/1077284814.db2.gz OXSJSEALBGEDBS-NTMALXAHSA-N 0 0 422.397 2.932 20 30 HFEDRN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2CCC2CC(OCC)C2)c1 ZINC000788797532 1077290853 /nfs/dbraw/zinc/29/08/53/1077290853.db2.gz HNXTVGQBAOLDRV-NKELODKYSA-N 0 0 413.543 2.941 20 30 HFEDRN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(CCOC(F)(F)F)C1=O ZINC000788799886 1077291950 /nfs/dbraw/zinc/29/19/50/1077291950.db2.gz WDHJGEBZYUUIKC-WSFYXQBFSA-N 0 0 409.455 2.782 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)CCc2cc(Br)cs2)n1 ZINC000788809980 1077294557 /nfs/dbraw/zinc/29/45/57/1077294557.db2.gz BHDRZWIPIWKJKD-UHFFFAOYSA-N 0 0 410.337 2.948 20 30 HFEDRN COc1ccc2c(c1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCC2 ZINC000791118734 1077302966 /nfs/dbraw/zinc/30/29/66/1077302966.db2.gz CIEKSBNOFJXFSH-CYBMUJFWSA-N 0 0 413.499 2.640 20 30 HFEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000791120123 1077304204 /nfs/dbraw/zinc/30/42/04/1077304204.db2.gz AXLQZAZWBNXGAV-OAHLLOKOSA-N 0 0 402.438 2.649 20 30 HFEDRN CCO[C@@H]1C[C@](O)(CNC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C1(C)C ZINC000788790693 1077305433 /nfs/dbraw/zinc/30/54/33/1077305433.db2.gz XOVDMDWJCWMCLQ-NBCNXNJRSA-N 0 0 419.522 2.741 20 30 HFEDRN CCO[C@@H]1C[C@](O)(CNC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1(C)C ZINC000788790695 1077305515 /nfs/dbraw/zinc/30/55/15/1077305515.db2.gz XOVDMDWJCWMCLQ-PERKRYKHSA-N 0 0 419.522 2.741 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)n1 ZINC000788815871 1077306821 /nfs/dbraw/zinc/30/68/21/1077306821.db2.gz ZRAPUOPBVBXTDV-OAHLLOKOSA-N 0 0 409.408 2.978 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cncc(-c3ccc(OC)cc3)c2)n1 ZINC000788820436 1077308283 /nfs/dbraw/zinc/30/82/83/1077308283.db2.gz QXPJIQLHEPIHHK-UHFFFAOYSA-N 0 0 404.470 2.876 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)c2cccc(COC3CCOCC3)c2)n1 ZINC000788819967 1077308503 /nfs/dbraw/zinc/30/85/03/1077308503.db2.gz MFIHTQOFMCHTEK-UHFFFAOYSA-N 0 0 411.502 2.501 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 ZINC000788822982 1077309875 /nfs/dbraw/zinc/30/98/75/1077309875.db2.gz KHUTVRGOTBXDGR-UHFFFAOYSA-N 0 0 422.510 2.979 20 30 HFEDRN C#CCn1ccc(CN(CC)C(=O)N[C@@H](CCSC)c2nnc3ccccn32)n1 ZINC000788854158 1077310659 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1077332188 /nfs/dbraw/zinc/33/21/88/1077332188.db2.gz RQURINAKMKVPQH-UHFFFAOYSA-N 0 0 411.405 2.825 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1 ZINC000772725938 1077334656 /nfs/dbraw/zinc/33/46/56/1077334656.db2.gz DSLJSWBCECTOCB-UHFFFAOYSA-N 0 0 408.483 2.653 20 30 HFEDRN N#Cc1ccc(COC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1F ZINC000791237493 1077340384 /nfs/dbraw/zinc/34/03/84/1077340384.db2.gz BAVLSWQUAZXLTO-LJQANCHMSA-N 0 0 402.447 2.984 20 30 HFEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCCc2ccccc2)cc1 ZINC000746774589 1077342634 /nfs/dbraw/zinc/34/26/34/1077342634.db2.gz IYMDFVFGXQUBTP-ATJXCDBQSA-N 0 0 415.515 2.697 20 30 HFEDRN C#CCN(C(=O)N[C@H](C)C(=O)N(C)CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000788895589 1077342640 /nfs/dbraw/zinc/34/26/40/1077342640.db2.gz HRKKTFVHOWNNAJ-CZUORRHYSA-N 0 0 422.323 2.784 20 30 HFEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000746774574 1077342649 /nfs/dbraw/zinc/34/26/49/1077342649.db2.gz HWPHSOMOKWDGDO-UAGDZQSXSA-N 0 0 417.535 2.592 20 30 HFEDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000746774595 1077342674 /nfs/dbraw/zinc/34/26/74/1077342674.db2.gz JGCUQMSKYBINAO-UAGDZQSXSA-N 0 0 417.535 2.592 20 30 HFEDRN C#C[C@H](CCC)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000791205989 1077342854 /nfs/dbraw/zinc/34/28/54/1077342854.db2.gz YYODIKFEHCMIDE-OAHLLOKOSA-N 0 0 402.428 2.894 20 30 HFEDRN C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000788906549 1077347908 /nfs/dbraw/zinc/34/79/08/1077347908.db2.gz WQMVPKGZHYMIKN-IFMALSPDSA-N 0 0 410.518 2.842 20 30 HFEDRN O=C(NCc1ccc(C(=O)NO)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000791273005 1077355597 /nfs/dbraw/zinc/35/55/97/1077355597.db2.gz OLFKJLWXLAKQOG-UHFFFAOYSA-N 0 0 413.437 2.983 20 30 HFEDRN O=C(CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC#Cc1ccccc1 ZINC000791273790 1077355820 /nfs/dbraw/zinc/35/58/20/1077355820.db2.gz CCBPSLVXBPGZRJ-UHFFFAOYSA-N 0 0 422.846 2.512 20 30 HFEDRN CN([C@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000788947246 1077357343 /nfs/dbraw/zinc/35/73/43/1077357343.db2.gz UEPGUBQUQPCRJJ-SFHVURJKSA-N 0 0 403.891 2.633 20 30 HFEDRN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000791299435 1077361918 /nfs/dbraw/zinc/36/19/18/1077361918.db2.gz LXVIKVGDZDVYEU-SFHVURJKSA-N 0 0 409.490 2.920 20 30 HFEDRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)c1C ZINC000791300572 1077362630 /nfs/dbraw/zinc/36/26/30/1077362630.db2.gz FHWQQHCBALYUIJ-UHFFFAOYSA-N 0 0 404.463 2.953 20 30 HFEDRN O=C(OCC#Cc1ccccc1)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000791302972 1077363786 /nfs/dbraw/zinc/36/37/86/1077363786.db2.gz UDDMYLYUFTVLFV-XMMPIXPASA-N 0 0 400.434 2.723 20 30 HFEDRN COc1ccc(COC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1C#N ZINC000746995617 1077364727 /nfs/dbraw/zinc/36/47/27/1077364727.db2.gz GKXTYUTWNMJYMB-UHFFFAOYSA-N 0 0 402.472 2.596 20 30 HFEDRN COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccc(C#N)c(F)c2)cc1OC ZINC000791305723 1077366149 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C=CCCn1cc(C(=O)Nc2c(F)cc(I)cc2F)nn1 ZINC001129851705 1078534207 /nfs/dbraw/zinc/53/42/07/1078534207.db2.gz BFHRWRJJKVGOTN-UHFFFAOYSA-N 0 0 404.158 2.989 20 30 HFEDRN CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000804698592 1078538948 /nfs/dbraw/zinc/53/89/48/1078538948.db2.gz MRJJDQAXGYJBAI-UHFFFAOYSA-N 0 0 409.494 2.679 20 30 HFEDRN C=CCNC(=O)c1ccc(NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)nc1 ZINC000804701207 1078543111 /nfs/dbraw/zinc/54/31/11/1078543111.db2.gz QHNSPFCJCHMTRS-QHCPKHFHSA-N 0 0 419.485 2.834 20 30 HFEDRN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)cc2)C1=O ZINC000804702757 1078568385 /nfs/dbraw/zinc/56/83/85/1078568385.db2.gz MVZYVMNVOZECTK-NRFANRHFSA-N 0 0 420.429 2.886 20 30 HFEDRN N#Cc1ccc2c(c1)N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(=O)N2 ZINC001129605361 1078576430 /nfs/dbraw/zinc/57/64/30/1078576430.db2.gz SRRIUBKMXCBNQZ-UHFFFAOYSA-N 0 0 401.176 2.828 20 30 HFEDRN C#CC[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000747196716 1078577296 /nfs/dbraw/zinc/57/72/96/1078577296.db2.gz VTYMDRGWOAEBJN-AWEZNQCLSA-N 0 0 402.310 2.904 20 30 HFEDRN C#C[C@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)c1ccc(Br)cc1 ZINC001129608229 1078578145 /nfs/dbraw/zinc/57/81/45/1078578145.db2.gz APYSXQRROSNUBM-INIZCTEOSA-N 0 0 413.275 2.847 20 30 HFEDRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2)C[C@H](C)O1 ZINC001129609121 1078578408 /nfs/dbraw/zinc/57/84/08/1078578408.db2.gz OMWCBBPKWYXPNY-KYHPRHEASA-N 0 0 406.504 2.724 20 30 HFEDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCO1 ZINC000804553399 1078578495 /nfs/dbraw/zinc/57/84/95/1078578495.db2.gz RPBRATGEHXLZCO-SWLSCSKDSA-N 0 0 405.886 2.978 20 30 HFEDRN CC(=O)N(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 ZINC001129914174 1078583048 /nfs/dbraw/zinc/58/30/48/1078583048.db2.gz NMMUHMFKESXICZ-AWEZNQCLSA-N 0 0 411.849 2.581 20 30 HFEDRN Cc1cc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000804554770 1078583237 /nfs/dbraw/zinc/58/32/37/1078583237.db2.gz BEXSAACWAGCPKH-FDDCHVKYSA-N 0 0 419.485 2.559 20 30 HFEDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000804539039 1078585895 /nfs/dbraw/zinc/58/58/95/1078585895.db2.gz ALXRMPFJTNNPDU-GDBMZVCRSA-N 0 0 404.486 2.943 20 30 HFEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=C)C)Cc2cnn(C(C)C)c2)cc1 ZINC000804559475 1078593681 /nfs/dbraw/zinc/59/36/81/1078593681.db2.gz ZZKYXQQQRJXGDW-UHFFFAOYSA-N 0 0 414.531 2.594 20 30 HFEDRN CC1(C(=O)NCCCCS(C)(=O)=O)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001129936455 1078600361 /nfs/dbraw/zinc/60/03/61/1078600361.db2.gz YRKLGVSJNHSZNU-UHFFFAOYSA-N 0 0 411.955 2.759 20 30 HFEDRN N#Cc1c(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cccc1OC(F)(F)F ZINC001129630307 1078602968 /nfs/dbraw/zinc/60/29/68/1078602968.db2.gz HFIALZZKAXYMFG-UHFFFAOYSA-N 0 0 418.331 2.867 20 30 HFEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000804573339 1078613334 /nfs/dbraw/zinc/61/33/34/1078613334.db2.gz KFIPROHOQOUOIP-INIZCTEOSA-N 0 0 418.497 2.693 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000804763897 1078621101 /nfs/dbraw/zinc/62/11/01/1078621101.db2.gz MMBKSJUWNDDSSQ-MRXNPFEDSA-N 0 0 418.925 2.979 20 30 HFEDRN N#CCOc1cccc(OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC001129661704 1078623121 /nfs/dbraw/zinc/62/31/21/1078623121.db2.gz MKTGKBRRGOBTRA-KRWDZBQOSA-N 0 0 406.394 2.583 20 30 HFEDRN CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC001129646069 1078635274 /nfs/dbraw/zinc/63/52/74/1078635274.db2.gz QBZURLPODMZHQN-QGZVFWFLSA-N 0 0 405.470 2.727 20 30 HFEDRN COC[C@@]1(CNC(=O)c2ccc(C=NOC)cc2)CCCN1C(=O)OC(C)(C)C ZINC000804787843 1078644285 /nfs/dbraw/zinc/64/42/85/1078644285.db2.gz JGTYFSABAFUXDR-NRFANRHFSA-N 0 0 405.495 2.813 20 30 HFEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804601188 1078644846 /nfs/dbraw/zinc/64/48/46/1078644846.db2.gz SSDZRPBDWNWBDI-HZPDHXFCSA-N 0 0 405.514 2.825 20 30 HFEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3C[C@H]3c3ccccc3F)C2=O)cc1 ZINC001129695770 1078654792 /nfs/dbraw/zinc/65/47/92/1078654792.db2.gz KYCQYRPQXFPDKY-YTQUADARSA-N 0 0 406.417 2.575 20 30 HFEDRN CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000804613645 1078663670 /nfs/dbraw/zinc/66/36/70/1078663670.db2.gz NOSNRNPNPQXMTK-KNQAVFIVSA-N 0 0 420.488 2.783 20 30 HFEDRN Cc1nsc(N(C)C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)c1C#N ZINC001129711390 1078668019 /nfs/dbraw/zinc/66/80/19/1078668019.db2.gz NZZWORMFNYHPHG-UHFFFAOYSA-N 0 0 410.908 2.793 20 30 HFEDRN C#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Cl)cc1 ZINC001129722614 1078673906 /nfs/dbraw/zinc/67/39/06/1078673906.db2.gz MTOXDSGVPKQIPJ-DLBZAZTESA-N 0 0 404.894 2.711 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000804833179 1078674323 /nfs/dbraw/zinc/67/43/23/1078674323.db2.gz JPKDNQKXROATPZ-UHFFFAOYSA-N 0 0 411.255 2.707 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC001129724518 1078674935 /nfs/dbraw/zinc/67/49/35/1078674935.db2.gz ICYQDRSSCKRKSK-AEFFLSMTSA-N 0 0 401.488 2.585 20 30 HFEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCC2)CC1 ZINC000804623624 1078675220 /nfs/dbraw/zinc/67/52/20/1078675220.db2.gz DPVZRZJXXWUITE-KRWDZBQOSA-N 0 0 403.548 2.933 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000804836699 1078678208 /nfs/dbraw/zinc/67/82/08/1078678208.db2.gz HKHGCRNRMGMHNB-GOSISDBHSA-N 0 0 422.481 2.727 20 30 HFEDRN C#CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000804836139 1078678600 /nfs/dbraw/zinc/67/86/00/1078678600.db2.gz XHADXSXRBNHPJS-UHFFFAOYSA-N 0 0 405.479 2.580 20 30 HFEDRN C#C[C@H](CC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001129729577 1078679168 /nfs/dbraw/zinc/67/91/68/1078679168.db2.gz ZXIWYTBQOVOUHC-OIISXLGYSA-N 0 0 412.349 2.571 20 30 HFEDRN C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 ZINC001129730685 1078680028 /nfs/dbraw/zinc/68/00/28/1078680028.db2.gz LRFZKXGTRGVARG-QGZVFWFLSA-N 0 0 421.316 2.804 20 30 HFEDRN COc1ccc(C2=NO[C@@H](CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)cc1 ZINC000804650606 1078707967 /nfs/dbraw/zinc/70/79/67/1078707967.db2.gz QKQAIGXDVLYXFK-PKOBYXMFSA-N 0 0 422.460 2.842 20 30 HFEDRN N#Cc1nc(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)ccc1Br ZINC001130039545 1078790877 /nfs/dbraw/zinc/79/08/77/1078790877.db2.gz LJDKQGFJCKQZQQ-LLVKDONJSA-N 0 0 406.261 2.615 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC(C)C)cc2C1=O ZINC000804927811 1078783581 /nfs/dbraw/zinc/78/35/81/1078783581.db2.gz KFDRLRYSCZSQSA-INIZCTEOSA-N 0 0 413.474 2.598 20 30 HFEDRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000804978420 1078813621 /nfs/dbraw/zinc/81/36/21/1078813621.db2.gz SBWJJGVKXLCHIC-HOCLYGCPSA-N 0 0 409.508 2.951 20 30 HFEDRN N#Cc1c(Br)cccc1S(=O)(=O)Oc1cc(Cl)ccc1C(N)=O ZINC000804972312 1078809123 /nfs/dbraw/zinc/80/91/23/1078809123.db2.gz DPZZPSWCNSKWGP-UHFFFAOYSA-N 0 0 415.652 2.841 20 30 HFEDRN CCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805027419 1078839702 /nfs/dbraw/zinc/83/97/02/1078839702.db2.gz LTKCIBCWZMQOQI-IAGOWNOFSA-N 0 0 402.470 2.651 20 30 HFEDRN C#CCCCS(=O)(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000805059370 1078872566 /nfs/dbraw/zinc/87/25/66/1078872566.db2.gz QQQQTHDRMWMERG-FQEVSTJZSA-N 0 0 417.531 2.614 20 30 HFEDRN C#CCCCS(=O)(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000805063599 1078874840 /nfs/dbraw/zinc/87/48/40/1078874840.db2.gz CQKKMGKBIVVALZ-INIZCTEOSA-N 0 0 413.337 2.586 20 30 HFEDRN C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000805119052 1078902343 /nfs/dbraw/zinc/90/23/43/1078902343.db2.gz HXMUGGFDKOSIKK-HNNXBMFYSA-N 0 0 411.424 2.689 20 30 HFEDRN N#Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000805119429 1078902766 /nfs/dbraw/zinc/90/27/66/1078902766.db2.gz DLFWDDKVKKOFAT-LSDHHAIUSA-N 0 0 406.439 2.848 20 30 HFEDRN N#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)o1 ZINC000805075097 1078907269 /nfs/dbraw/zinc/90/72/69/1078907269.db2.gz QSVJSYAMMDEDQY-IBGZPJMESA-N 0 0 410.451 2.957 20 30 HFEDRN N#Cc1ccc(N2CCN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000805092740 1078919172 /nfs/dbraw/zinc/91/91/72/1078919172.db2.gz WIQAVEJYGDNOTM-UHFFFAOYSA-N 0 0 411.314 2.912 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000805123821 1078921953 /nfs/dbraw/zinc/92/19/53/1078921953.db2.gz BGZHBQRPDGHUOX-IFMALSPDSA-N 0 0 405.498 2.730 20 30 HFEDRN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000805134208 1078931952 /nfs/dbraw/zinc/93/19/52/1078931952.db2.gz UCQYKDQHWDZJOX-RBBKRZOGSA-N 0 0 405.546 2.526 20 30 HFEDRN N#Cc1ccc(-c2cccc(CNC(=O)NC3CCC4(CC3)NC(=O)NC4=O)c2)s1 ZINC000805143028 1078940601 /nfs/dbraw/zinc/94/06/01/1078940601.db2.gz AAVMMIYSIGWVOM-UHFFFAOYSA-N 0 0 423.498 2.607 20 30 HFEDRN COc1ccc(CNC(=O)C(=O)NCCc2ccc(OCC(C)C)cc2)cc1C#N ZINC000805143275 1078943162 /nfs/dbraw/zinc/94/31/62/1078943162.db2.gz FQTOTIYUBJAWQZ-UHFFFAOYSA-N 0 0 409.486 2.577 20 30 HFEDRN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F ZINC000805146962 1078944625 /nfs/dbraw/zinc/94/46/25/1078944625.db2.gz GLZPOCWZGSQTGE-GFCCVEGCSA-N 0 0 406.273 2.977 20 30 HFEDRN N#Cc1ccncc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000805175565 1078961403 /nfs/dbraw/zinc/96/14/03/1078961403.db2.gz IUSYCBLSFYXOQV-UHFFFAOYSA-N 0 0 405.336 2.843 20 30 HFEDRN COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000805233088 1078975854 /nfs/dbraw/zinc/97/58/54/1078975854.db2.gz SYCNRASZHBVOHV-CKDIWJPDSA-N 0 0 421.453 2.518 20 30 HFEDRN C#CC[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccccc1 ZINC000805235216 1078977672 /nfs/dbraw/zinc/97/76/72/1078977672.db2.gz XZHLANQKUCTAHK-SFHVURJKSA-N 0 0 419.934 2.991 20 30 HFEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC001130117484 1078987781 /nfs/dbraw/zinc/98/77/81/1078987781.db2.gz NAVRGFCAGQUJRB-GUYCJALGSA-N 0 0 400.928 2.690 20 30 HFEDRN COc1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C#N ZINC000805223532 1078992589 /nfs/dbraw/zinc/99/25/89/1078992589.db2.gz JYBSZMCTUNXJLZ-OAHLLOKOSA-N 0 0 412.412 2.700 20 30 HFEDRN COc1cc(C)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1C ZINC000805290887 1079013470 /nfs/dbraw/zinc/01/34/70/1079013470.db2.gz AIIQHDNRRRLAFM-UHFFFAOYSA-N 0 0 401.488 2.688 20 30 HFEDRN C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H]1C(=O)OC(C)(C)C ZINC001130142992 1079014413 /nfs/dbraw/zinc/01/44/13/1079014413.db2.gz LJTVEQDLSICDLD-OXFYSEKESA-N 0 0 411.502 2.880 20 30 HFEDRN N#Cc1cc(Br)ccc1COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000805338919 1079025400 /nfs/dbraw/zinc/02/54/00/1079025400.db2.gz QDFVINCOHSUAQU-HUUCEWRRSA-N 0 0 405.248 2.539 20 30 HFEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCc1ccccc1Cl ZINC000805329472 1079021467 /nfs/dbraw/zinc/02/14/67/1079021467.db2.gz KWWLKLIRRXWDLW-UHFFFAOYSA-N 0 0 406.891 2.945 20 30 HFEDRN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 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MHUSHHUEYJVFRA-HSZRJFAPSA-N 0 0 417.513 2.627 20 30 HFEDRN C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000792445211 1077852367 /nfs/dbraw/zinc/85/23/67/1077852367.db2.gz NUCXIDVETSJZCZ-IBGZPJMESA-N 0 0 412.511 2.658 20 30 HFEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)c1nc(Cl)cs1 ZINC000789894425 1077852971 /nfs/dbraw/zinc/85/29/71/1077852971.db2.gz AFXMREUEPHRFOW-UHFFFAOYSA-N 0 0 404.858 2.938 20 30 HFEDRN COc1cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc(Br)c1OC ZINC000792446403 1077853104 /nfs/dbraw/zinc/85/31/04/1077853104.db2.gz CXGAJIQJTSYHHY-QGZVFWFLSA-N 0 0 413.268 2.678 20 30 HFEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)cc1C#N ZINC000792451577 1077855354 /nfs/dbraw/zinc/85/53/54/1077855354.db2.gz BWMREDSSPZQKEP-WMLDXEAASA-N 0 0 416.478 2.729 20 30 HFEDRN C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(Br)ccc1OCCOCC ZINC000792452341 1077856097 /nfs/dbraw/zinc/85/60/97/1077856097.db2.gz IZWXZJWKXCQWTM-CQSZACIVSA-N 0 0 411.296 2.721 20 30 HFEDRN 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URXXWWRCQIZUQS-UHFFFAOYSA-N 0 0 406.530 2.691 20 30 HFEDRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793515892 1078197081 /nfs/dbraw/zinc/19/70/81/1078197081.db2.gz LTZJPAJGHPWNHU-JOCHJYFZSA-N 0 0 400.523 2.793 20 30 HFEDRN C=CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccncc1 ZINC000793517538 1078197597 /nfs/dbraw/zinc/19/75/97/1078197597.db2.gz LATSHUCWNVALNL-QRWLVFNGSA-N 0 0 421.501 2.976 20 30 HFEDRN C=CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccncc1 ZINC000793517536 1078197616 /nfs/dbraw/zinc/19/76/16/1078197616.db2.gz LATSHUCWNVALNL-FOIQADDNSA-N 0 0 421.501 2.976 20 30 HFEDRN N#Cc1ccc(N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)c(Cl)c1 ZINC000793516342 1078197628 /nfs/dbraw/zinc/19/76/28/1078197628.db2.gz NDWSWZISOVNSLV-UHFFFAOYSA-N 0 0 407.905 2.904 20 30 HFEDRN C#CCn1ccc(CN(CCOC)Cc2cccc(I)c2)n1 ZINC000793591860 1078217695 /nfs/dbraw/zinc/21/76/95/1078217695.db2.gz SAALHBJMECMAKE-UHFFFAOYSA-N 0 0 409.271 2.770 20 30 HFEDRN 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C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000804403116 1078466779 /nfs/dbraw/zinc/46/67/79/1078466779.db2.gz WZTQSVXQFLFTRN-JHVJFLLYSA-N 0 0 409.461 2.989 20 30 HFEDRN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000804403594 1078468299 /nfs/dbraw/zinc/46/82/99/1078468299.db2.gz QZAQXNJOQWBJES-RVKKMQEKSA-N 0 0 414.506 2.640 20 30 HFEDRN C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1F ZINC000804418685 1078468902 /nfs/dbraw/zinc/46/89/02/1078468902.db2.gz TWEXXYXYFJMKQU-INIZCTEOSA-N 0 0 412.845 2.777 20 30 HFEDRN C#C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC000804423592 1078471323 /nfs/dbraw/zinc/47/13/23/1078471323.db2.gz SRLJJFKBPMAWST-IAGOWNOFSA-N 0 0 400.903 2.864 20 30 HFEDRN C#C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)cc1F ZINC000804423591 1078471339 /nfs/dbraw/zinc/47/13/39/1078471339.db2.gz SRLJJFKBPMAWST-DLBZAZTESA-N 0 0 400.903 2.864 20 30 HFEDRN C#C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1F 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20 30 HFEDRN C[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCc2ccccc21 ZINC000746870002 1077900730 /nfs/dbraw/zinc/90/07/30/1077900730.db2.gz YBDVXYATWHGEPL-MRXNPFEDSA-N 0 0 417.469 2.906 20 30 HFEDRN CC(C)(C)OC(=O)N1CCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)[C@@H](C#N)C1 ZINC000789974643 1077902416 /nfs/dbraw/zinc/90/24/16/1077902416.db2.gz USOKHPRRKWSHIQ-JCYILVPMSA-N 0 0 420.554 2.679 20 30 HFEDRN N#CC(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCc1ccccc1 ZINC000747080249 1077909986 /nfs/dbraw/zinc/90/99/86/1077909986.db2.gz MLMNWWFULQRONX-UHFFFAOYSA-N 0 0 423.444 2.781 20 30 HFEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000792581170 1077916312 /nfs/dbraw/zinc/91/63/12/1077916312.db2.gz IPDNFCGXBKFBOO-OAQYLSRUSA-N 0 0 420.904 2.872 20 30 HFEDRN C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCCN(C)c1ccccc1 ZINC000790021262 1077916559 /nfs/dbraw/zinc/91/65/59/1077916559.db2.gz LODCIJQSVAQHJU-YHIPKCMFSA-N 0 0 414.575 2.890 20 30 HFEDRN 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HFEDRN CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F ZINC000787684388 1076910364 /nfs/dbraw/zinc/91/03/64/1076910364.db2.gz HOJVBSXCWAECGW-OCCSQVGLSA-N 0 0 405.442 2.597 20 30 HFEDRN COc1c(Br)c(C)sc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787722206 1076913088 /nfs/dbraw/zinc/91/30/88/1076913088.db2.gz PPLJDFGXBMRUJK-MRVPVSSYSA-N 0 0 401.282 2.935 20 30 HFEDRN COc1c(Br)c(C)sc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787722209 1076913469 /nfs/dbraw/zinc/91/34/69/1076913469.db2.gz PPLJDFGXBMRUJK-QMMMGPOBSA-N 0 0 401.282 2.935 20 30 HFEDRN Cc1nc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)nn1-c1c(Cl)cccc1Cl ZINC000787693913 1076915281 /nfs/dbraw/zinc/91/52/81/1076915281.db2.gz YJAPQJDVDCKWLZ-SNVBAGLBSA-N 0 0 422.272 2.990 20 30 HFEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000787698230 1076916515 /nfs/dbraw/zinc/91/65/15/1076916515.db2.gz VXYNTBOSNGDGMH-HIFRSBDPSA-N 0 0 419.469 2.843 20 30 HFEDRN C[C@@H](OC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000787698610 1076917377 /nfs/dbraw/zinc/91/73/77/1076917377.db2.gz YVOXBIOANMXTHI-CQSZACIVSA-N 0 0 407.426 2.686 20 30 HFEDRN Cc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)nn1-c1cccc(C#N)c1 ZINC000787749511 1076925652 /nfs/dbraw/zinc/92/56/52/1076925652.db2.gz RILIVEPPCXUWKF-QKKBWIMNSA-N 0 0 404.426 2.633 20 30 HFEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787753210 1076927379 /nfs/dbraw/zinc/92/73/79/1076927379.db2.gz FNKAIKGQQSXBKO-CYBMUJFWSA-N 0 0 419.407 2.720 20 30 HFEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000787758836 1076929261 /nfs/dbraw/zinc/92/92/61/1076929261.db2.gz LCKQOAHEZUDLGR-GOSISDBHSA-N 0 0 411.893 2.889 20 30 HFEDRN Cc1cccc(-c2cccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)c2)c1 ZINC000787758708 1076929287 /nfs/dbraw/zinc/92/92/87/1076929287.db2.gz JIIKAEUOQFRUHE-UHFFFAOYSA-N 0 0 413.481 2.773 20 30 HFEDRN CCCCCCCCn1nc(C)c(S(=O)(=O)NCC2(O)CCOCC2)c1C ZINC000772705727 1076931478 /nfs/dbraw/zinc/93/14/78/1076931478.db2.gz KJARLVPFECYLFB-UHFFFAOYSA-N 0 0 401.573 2.680 20 30 HFEDRN Cc1ccc(S(=O)(=O)C2(C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)CCCC2)cc1 ZINC000787733408 1076934719 /nfs/dbraw/zinc/93/47/19/1076934719.db2.gz UFXGKUVCXIHGID-MRXNPFEDSA-N 0 0 418.515 2.576 20 30 HFEDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787776342 1076943131 /nfs/dbraw/zinc/94/31/31/1076943131.db2.gz HOEKCGQACXAZKI-INIZCTEOSA-N 0 0 419.407 2.600 20 30 HFEDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787786978 1076946114 /nfs/dbraw/zinc/94/61/14/1076946114.db2.gz GGNHCXJOVJFHBC-HUUCEWRRSA-N 0 0 413.909 2.785 20 30 HFEDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000787786932 1076946141 /nfs/dbraw/zinc/94/61/41/1076946141.db2.gz FQYIOVJUHQWOJR-VQTJNVASSA-N 0 0 405.502 2.585 20 30 HFEDRN C[C@H](OC(=O)c1cnc2ncc(Br)cc2c1)C(=O)NC1(C#N)CCC1 ZINC000787795833 1076948471 /nfs/dbraw/zinc/94/84/71/1076948471.db2.gz HTXHOXCNZGJEAW-JTQLQIEISA-N 0 0 403.236 2.500 20 30 HFEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000787823575 1076954296 /nfs/dbraw/zinc/95/42/96/1076954296.db2.gz LOYILIDRLTUKDP-RBSFLKMASA-N 0 0 403.504 2.854 20 30 HFEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1C#N ZINC000787827564 1076955496 /nfs/dbraw/zinc/95/54/96/1076955496.db2.gz VIRHLTVGCUXXRI-DLBZAZTESA-N 0 0 422.485 2.739 20 30 HFEDRN C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)cc2C1=O ZINC000787830178 1076956354 /nfs/dbraw/zinc/95/63/54/1076956354.db2.gz JHKOLSWZKSUTKP-QGZVFWFLSA-N 0 0 402.809 2.725 20 30 HFEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787836643 1076958567 /nfs/dbraw/zinc/95/85/67/1076958567.db2.gz SZWAHOMXAYTPCW-SFHVURJKSA-N 0 0 415.856 2.793 20 30 HFEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2cc(C)cnc2Cl)ccc1OC ZINC000787885284 1076977548 /nfs/dbraw/zinc/97/75/48/1076977548.db2.gz QPICDEJTOABIOR-AWEZNQCLSA-N 0 0 416.865 2.988 20 30 HFEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787892171 1076980584 /nfs/dbraw/zinc/98/05/84/1076980584.db2.gz VGHARSRZGFICCM-UHFFFAOYSA-N 0 0 423.355 2.564 20 30 HFEDRN Cc1csc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1I ZINC000787860754 1076984979 /nfs/dbraw/zinc/98/49/79/1076984979.db2.gz OHMWYYOCMZZWIW-UHFFFAOYSA-N 0 0 406.245 2.579 20 30 HFEDRN C=CCN(C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)C(C)C ZINC000787895246 1077002817 /nfs/dbraw/zinc/00/28/17/1077002817.db2.gz BEJCEFZCTYBPPV-UHFFFAOYSA-N 0 0 423.355 2.562 20 30 HFEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000787896336 1077002979 /nfs/dbraw/zinc/00/29/79/1077002979.db2.gz QMFMIVNWXZDOQT-QWHCGFSZSA-N 0 0 419.197 2.703 20 30 HFEDRN COc1ccc(CNC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1C#N ZINC000746715547 1077002986 /nfs/dbraw/zinc/00/29/86/1077002986.db2.gz BDCVGJLXLJPUQG-HXUWFJFHSA-N 0 0 408.458 2.684 20 30 HFEDRN COc1ccc(CNC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1C#N ZINC000746716312 1077003286 /nfs/dbraw/zinc/00/32/86/1077003286.db2.gz MGNCWDLJWMHAPP-QGZVFWFLSA-N 0 0 408.502 2.787 20 30 HFEDRN COC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccco1 ZINC000746720606 1077009362 /nfs/dbraw/zinc/00/93/62/1077009362.db2.gz OSDVHVRESLUOKF-USCXLKSCSA-N 0 0 420.491 2.602 20 30 HFEDRN Nc1nc(Cl)c(CN=Nc2nnc(-c3ccccn3)s2)c(N2CCCC2)n1 ZINC000788029652 1077034786 /nfs/dbraw/zinc/03/47/86/1077034786.db2.gz GOLAPGRUQZHING-UHFFFAOYSA-N 0 0 401.887 2.672 20 30 HFEDRN CCC(O)(CC)CCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)cc1 ZINC000788040931 1077038146 /nfs/dbraw/zinc/03/81/46/1077038146.db2.gz OJJVJRDVOSAKON-MRXNPFEDSA-N 0 0 407.536 2.704 20 30 HFEDRN C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788042180 1077038504 /nfs/dbraw/zinc/03/85/04/1077038504.db2.gz VTTQWEJYZJOKON-UHFFFAOYSA-N 0 0 414.680 2.981 20 30 HFEDRN Cc1nn(C)c(N2CCN(Cn3nc(-c4ccc(C)cc4)n(C)c3=S)CC2)c1C#N ZINC000788045656 1077040016 /nfs/dbraw/zinc/04/00/16/1077040016.db2.gz YBFWCWBNGWUMNO-UHFFFAOYSA-N 0 0 422.562 2.620 20 30 HFEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 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N#Cc1ccc(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1Cl ZINC001164808786 721607162 /nfs/dbraw/zinc/60/71/62/721607162.db2.gz ZCKLIAXMJTZNFQ-MAUKXSAKSA-N 0 0 423.851 2.803 20 30 HFEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164806005 721607608 /nfs/dbraw/zinc/60/76/08/721607608.db2.gz QNUFCPPPZLPGQQ-QAPCUYQASA-N 0 0 423.851 2.803 20 30 HFEDRN COC(=O)c1cc(C#N)cnc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164910960 721765028 /nfs/dbraw/zinc/76/50/28/721765028.db2.gz MGZMNMNLBVGACC-UHFFFAOYSA-N 0 0 417.469 2.923 20 30 HFEDRN N#CC1(c2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nc2)CCC1 ZINC001164914914 721782374 /nfs/dbraw/zinc/78/23/74/721782374.db2.gz HTTRYADXFUBIGE-DEOSSOPVSA-N 0 0 419.529 2.530 20 30 HFEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3c(C#N)c[nH]c3n1)C2 ZINC001165008720 722265265 /nfs/dbraw/zinc/26/52/65/722265265.db2.gz YMNHCZRGJDVPCD-QFIPXVFZSA-N 0 0 404.449 2.501 20 30 HFEDRN Cc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(Cl)cc1C#N ZINC001165007435 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1076861802 /nfs/dbraw/zinc/86/18/02/1076861802.db2.gz INXWLAHBEJGADZ-AWEZNQCLSA-N 0 0 401.463 2.819 20 30 HFEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C)c(OC(C)C)c2)c1 ZINC000787560602 1076865004 /nfs/dbraw/zinc/86/50/04/1076865004.db2.gz PFGTWCCNCTYJOI-UHFFFAOYSA-N 0 0 407.470 2.799 20 30 HFEDRN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)NC1(C#N)CCC1 ZINC000787581929 1076872229 /nfs/dbraw/zinc/87/22/29/1076872229.db2.gz NYVUCFZJKHLILL-ZDUSSCGKSA-N 0 0 424.423 2.811 20 30 HFEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787583262 1076872696 /nfs/dbraw/zinc/87/26/96/1076872696.db2.gz ZIADQFQBJKPEOL-HUUCEWRRSA-N 0 0 412.421 2.520 20 30 HFEDRN NC(=NOCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccnc1N1CCCCC1 ZINC000746694530 1076873011 /nfs/dbraw/zinc/87/30/11/1076873011.db2.gz LMCNEDRNLAATOT-UHFFFAOYSA-N 0 0 411.550 2.794 20 30 HFEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000787609304 1076876592 /nfs/dbraw/zinc/87/65/92/1076876592.db2.gz HRBOODODUMJDSN-QGZVFWFLSA-N 0 0 414.506 2.880 20 30 HFEDRN C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCC1 ZINC000787628383 1076882883 /nfs/dbraw/zinc/88/28/83/1076882883.db2.gz KRAAPCOTDSNUIV-NVXWUHKLSA-N 0 0 415.490 2.617 20 30 HFEDRN CN(C)c1ncccc1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787630521 1076884507 /nfs/dbraw/zinc/88/45/07/1076884507.db2.gz BVTHTIPXTWYWDS-UHFFFAOYSA-N 0 0 419.510 2.680 20 30 HFEDRN C[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000787594572 1076886479 /nfs/dbraw/zinc/88/64/79/1076886479.db2.gz CQTUHGOBRSBWJS-APWZRJJASA-N 0 0 405.454 2.652 20 30 HFEDRN C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC1(C#N)CCC1 ZINC000787677406 1076890865 /nfs/dbraw/zinc/89/08/65/1076890865.db2.gz HVOQPKBVDRPKOQ-LLVKDONJSA-N 0 0 400.416 2.826 20 30 HFEDRN COc1ccc(-c2noc(CCCC(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)n2)cc1 ZINC000787641485 1076893052 /nfs/dbraw/zinc/89/30/52/1076893052.db2.gz RJXYPFXRVOVTEV-CQSZACIVSA-N 0 0 412.446 2.562 20 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C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787653929 1076899155 /nfs/dbraw/zinc/89/91/55/1076899155.db2.gz WHYDLLMFMNSGMU-GHMZBOCLSA-N 0 0 412.273 2.606 20 30 HFEDRN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(=O)NC1(C#N)CCC1 ZINC000787660238 1076902117 /nfs/dbraw/zinc/90/21/17/1076902117.db2.gz ASUQGBOSYXVCSF-LBPRGKRZSA-N 0 0 423.922 2.748 20 30 HFEDRN COc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1C#N ZINC000746702679 1076906913 /nfs/dbraw/zinc/90/69/13/1076906913.db2.gz RPUIICPAIXLDAB-KRWDZBQOSA-N 0 0 400.504 2.501 20 30 HFEDRN COc1ccc(CNC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1C#N ZINC000746706221 1076907254 /nfs/dbraw/zinc/90/72/54/1076907254.db2.gz YJFHAAHXHFFMGO-GOSISDBHSA-N 0 0 407.518 2.577 20 30 HFEDRN O=C(OCCOCC(F)(F)C(F)F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000787685194 1076910586 /nfs/dbraw/zinc/91/05/86/1076910586.db2.gz JXPVHYILLIYUJJ-UHFFFAOYSA-N 0 0 416.253 2.755 20 30 HFEDRN C[C@H](OC(=O)Cc1c[nH]c2cc(Br)ccc12)C(=O)NC1(C#N)CCC1 ZINC000787748174 1076925533 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