smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C)nc(Cl)n3)CC2)CC1 ZINC001164614314 719024500 /nfs/dbraw/zinc/02/45/00/719024500.db2.gz REDGBGGMJITHAZ-UHFFFAOYSA-N 0 3 416.900 3.227 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)n2)c2c1CCNC2 ZINC001164682345 719606129 /nfs/dbraw/zinc/60/61/29/719606129.db2.gz CNRQICHCOLHSIZ-UHFFFAOYSA-N 0 3 405.280 3.063 20 0 HGADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734738 720442895 /nfs/dbraw/zinc/44/28/95/720442895.db2.gz TZXBXDOVVJNCPI-LEWJYISDSA-N 0 3 415.497 3.163 20 0 HGADHN CN(C)Cc1ccnc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729504 720496340 /nfs/dbraw/zinc/49/63/40/720496340.db2.gz RHXSYLSFJMGCFX-AUSIDOKSSA-N 0 3 414.525 3.006 20 0 HGADHN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837939 720738526 /nfs/dbraw/zinc/73/85/26/720738526.db2.gz PCANKVYLCPQEAS-UHFFFAOYSA-N 0 3 414.913 3.213 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164738493 720756583 /nfs/dbraw/zinc/75/65/83/720756583.db2.gz FVDMPTPZSDMJMA-CVEARBPZSA-N 0 3 422.558 3.010 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3c3ccc(CN4CCCC4)cn3)O2)nc1 ZINC001164848928 720777127 /nfs/dbraw/zinc/77/71/27/720777127.db2.gz RAHWSRUNZKGRSI-YTFSRNRJSA-N 0 3 408.546 3.416 20 0 HGADHN CN(Cc1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1)C1CC1 ZINC001164861539 720902091 /nfs/dbraw/zinc/90/20/91/720902091.db2.gz TVXLAKRQJXHTBZ-PXDATVDWSA-N 0 3 420.557 3.234 20 0 HGADHN CN(Cc1ccc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1)C1CC1 ZINC001164765371 721030960 /nfs/dbraw/zinc/03/09/60/721030960.db2.gz OVGNMPLFJBDSBM-VWNXMTODSA-N 0 3 408.546 3.416 20 0 HGADHN Clc1nnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164866042 721064341 /nfs/dbraw/zinc/06/43/41/721064341.db2.gz BXOAOACGAZETRB-HUUCEWRRSA-N 0 3 401.923 3.219 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164771191 721084317 /nfs/dbraw/zinc/08/43/17/721084317.db2.gz ROEOECVOWDPORR-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc1-2 ZINC001164879493 721126379 /nfs/dbraw/zinc/12/63/79/721126379.db2.gz SVBKQWLEVXOFGW-FGZHOGPDSA-N 0 3 413.525 3.117 20 0 HGADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164879570 721127693 /nfs/dbraw/zinc/12/76/93/721127693.db2.gz UAVVYXYQOFXPSG-IAGOWNOFSA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164772349 721180276 /nfs/dbraw/zinc/18/02/76/721180276.db2.gz SQBGDNAVBMXQDL-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164774441 721195275 /nfs/dbraw/zinc/19/52/75/721195275.db2.gz ZEUQAYBXZCTTAR-IRXDYDNUSA-N 0 3 402.974 3.428 20 0 HGADHN Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164767140 721238524 /nfs/dbraw/zinc/23/85/24/721238524.db2.gz VXDQUJOXNAIMLH-QZTJIDSGSA-N 0 3 400.958 3.398 20 0 HGADHN Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ncccc1CN1CCCC1)CC2 ZINC001164785916 721442154 /nfs/dbraw/zinc/44/21/54/721442154.db2.gz UIHLYWNVPDUXKA-JOCHJYFZSA-N 0 3 418.545 3.127 20 0 HGADHN CN(Cc1ccc(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164897014 721475744 /nfs/dbraw/zinc/47/57/44/721475744.db2.gz ZLLUETDLSAUSTR-XMMPIXPASA-N 0 3 405.546 3.232 20 0 HGADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900773 721509451 /nfs/dbraw/zinc/50/94/51/721509451.db2.gz UPMJXLAHOJDIBS-WBVHZDCISA-N 0 3 419.884 3.393 20 0 HGADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900260 721510837 /nfs/dbraw/zinc/51/08/37/721510837.db2.gz PGBGVPIUZUOMIM-GOEBONIOSA-N 0 3 405.857 3.003 20 0 HGADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCCC1 ZINC001164900671 721513444 /nfs/dbraw/zinc/51/34/44/721513444.db2.gz SRCOQDTZRRCSOX-TZIWHRDSSA-N 0 3 424.520 3.189 20 0 HGADHN CCOC(=O)/C=C/c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902230 721513626 /nfs/dbraw/zinc/51/36/26/721513626.db2.gz ZZNUCMNUTZVNKX-AUGFPLSNSA-N 0 3 411.477 3.139 20 0 HGADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897066 721513847 /nfs/dbraw/zinc/51/38/47/721513847.db2.gz DMORBQPMIUKFQP-WBVHZDCISA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1Cl ZINC001164899603 721514670 /nfs/dbraw/zinc/51/46/70/721514670.db2.gz LGINNCUIZATLDO-ZBFHGGJFSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CCN3C2)c1 ZINC001164903525 721557823 /nfs/dbraw/zinc/55/78/23/721557823.db2.gz BZMQVKNGENSJJA-UYAOXDASSA-N 0 3 409.440 3.159 20 0 HGADHN Cc1nc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2n1C ZINC001164904346 721703648 /nfs/dbraw/zinc/70/36/48/721703648.db2.gz BXRDBUFPCVHJEP-NRFANRHFSA-N 0 3 412.488 3.409 20 0 HGADHN CN(Cc1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1)C1CC1 ZINC001164916705 721811135 /nfs/dbraw/zinc/81/11/35/721811135.db2.gz ITXWOPNJKNJTLN-SFGWALBWSA-N 0 3 414.575 3.333 20 0 HGADHN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)n1 ZINC001164919454 721811565 /nfs/dbraw/zinc/81/15/65/721811565.db2.gz XYCDJGKOWHXZOY-IRFCIJBXSA-N 0 3 414.575 3.335 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN(C)C4CC4)cn3)C[C@H]12 ZINC001164947820 721967700 /nfs/dbraw/zinc/96/77/00/721967700.db2.gz RNIUQHIOUGNEQR-ZCYQVOJMSA-N 0 3 404.558 3.445 20 0 HGADHN FC(F)(c1nccc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961900 722053166 /nfs/dbraw/zinc/05/31/66/722053166.db2.gz XSHGZOBJZSWKCW-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN Clc1cc2[nH]cnc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963799 722057432 /nfs/dbraw/zinc/05/74/32/722057432.db2.gz LITZXIFOLVQDPA-UHFFFAOYSA-N 0 3 412.925 3.125 20 0 HGADHN FC(F)(c1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960735 722058384 /nfs/dbraw/zinc/05/83/84/722058384.db2.gz JXWBQUIHEIKGDI-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981350 722098584 /nfs/dbraw/zinc/09/85/84/722098584.db2.gz LDPSFBSEVXSMBQ-SJLPKXTDSA-N 0 3 408.880 3.402 20 0 HGADHN FC(F)(c1ccnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986537 722100630 /nfs/dbraw/zinc/10/06/30/722100630.db2.gz ZGZOVUHCEZCHKK-AEFFLSMTSA-N 0 3 408.880 3.402 20 0 HGADHN Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985716 722105627 /nfs/dbraw/zinc/10/56/27/722105627.db2.gz WGTJXLIJJFZDAL-SJORKVTESA-N 0 3 423.895 3.106 20 0 HGADHN FC(F)(Oc1cccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986650 722107028 /nfs/dbraw/zinc/10/70/28/722107028.db2.gz ZYSVZHBNYWUGSX-SJLPKXTDSA-N 0 3 424.879 3.282 20 0 HGADHN Clc1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982132 722109918 /nfs/dbraw/zinc/10/99/18/722109918.db2.gz WCEXXTCXCGMNLJ-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982140 722110288 /nfs/dbraw/zinc/11/02/88/722110288.db2.gz WCEXXTCXCGMNLJ-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccnc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164971857 722113828 /nfs/dbraw/zinc/11/38/28/722113828.db2.gz CRRZQASFVTUBEB-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN CCc1c(Cl)nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1CC ZINC001164980413 722119651 /nfs/dbraw/zinc/11/96/51/722119651.db2.gz RDBQBYGFHZKXFF-XLIONFOSSA-N 0 3 415.969 3.377 20 0 HGADHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164984645 722132410 /nfs/dbraw/zinc/13/24/10/722132410.db2.gz YEWRKXCHLXULCP-WMZHIEFXSA-N 0 3 404.514 3.366 20 0 HGADHN COc1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974133 722133942 /nfs/dbraw/zinc/13/39/42/722133942.db2.gz CJLGOQXLUZOFCS-REWPJTCUSA-N 0 3 404.514 3.366 20 0 HGADHN Cc1nc(C2CC2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973137 722144524 /nfs/dbraw/zinc/14/45/24/722144524.db2.gz BAPRDOZEDRUVFW-RBUKOAKNSA-N 0 3 413.953 3.438 20 0 HGADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccco2)n1 ZINC001164983861 722147427 /nfs/dbraw/zinc/14/74/27/722147427.db2.gz VWQMEYOWTNZJAR-CTNGQTDRSA-N 0 3 405.502 3.167 20 0 HGADHN Cc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1C ZINC001164972658 722152512 /nfs/dbraw/zinc/15/25/12/722152512.db2.gz IVMMVXOCEGGQHZ-OFNKIYASSA-N 0 3 403.530 3.369 20 0 HGADHN Fc1ccc(-c2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971144 722153971 /nfs/dbraw/zinc/15/39/71/722153971.db2.gz AUDYYFGZWJBRDS-REWPJTCUSA-N 0 3 419.504 3.405 20 0 HGADHN CSc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164974787 722156022 /nfs/dbraw/zinc/15/60/22/722156022.db2.gz QLGJLMONQXNIRI-IAGOWNOFSA-N 0 3 417.604 3.043 20 0 HGADHN OC[C@H](Cc1c[nH]c2ccccc12)NCc1ccccc1I ZINC000734845546 1126106847 /nfs/dbraw/zinc/10/68/47/1126106847.db2.gz SGUXAQYVKCAWAI-HNNXBMFYSA-N 0 3 406.267 3.466 20 0 HGADHN CCc1oc(CN[C@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)OC ZINC001206855661 1126159629 /nfs/dbraw/zinc/15/96/29/1126159629.db2.gz JGNNQWNQQACUFV-IBGZPJMESA-N 0 3 410.308 3.474 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2cc3c(cc2Cl)OCCO3)cc1OC ZINC001460867987 1126192815 /nfs/dbraw/zinc/19/28/15/1126192815.db2.gz LDIPDVJJZYSJJW-OAQYLSRUSA-N 0 3 407.894 3.212 20 0 HGADHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)c([O-])c(OC)c2)cc1 ZINC001560580132 1126213446 /nfs/dbraw/zinc/21/34/46/1126213446.db2.gz LJQRUOPVRJYPKE-IBGZPJMESA-N 0 3 410.308 3.255 20 0 HGADHN Brc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000020477788 558374507 /nfs/dbraw/zinc/37/45/07/558374507.db2.gz VRNFAZYHOIOPKP-UHFFFAOYSA-N 0 3 405.336 3.450 20 0 HGADHN COc1c(Br)cc(CNCCCN2CCOCC2)cc1Br ZINC000020967615 568460856 /nfs/dbraw/zinc/46/08/56/568460856.db2.gz JVSKKDLIBPHLSM-UHFFFAOYSA-N 0 3 422.161 3.032 20 0 HGADHN CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725401 720380573 /nfs/dbraw/zinc/38/05/73/720380573.db2.gz NFOLIKPSHNJBMZ-WOJBJXKFSA-N 0 3 403.486 3.055 20 0 HGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1)C1CC1 ZINC001164731536 720429142 /nfs/dbraw/zinc/42/91/42/720429142.db2.gz LQDXAKXIKMEAKY-BHDDXSALSA-N 0 3 406.530 3.387 20 0 HGADHN c1ccc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726268 720429564 /nfs/dbraw/zinc/42/95/64/720429564.db2.gz BFVUUKOUTPOMJL-FCHUYYIVSA-N 0 3 400.530 3.478 20 0 HGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)C1 ZINC001164731480 720435588 /nfs/dbraw/zinc/43/55/88/720435588.db2.gz KWNMNGMOPYWHMW-COPCDDAFSA-N 0 3 405.546 3.202 20 0 HGADHN COc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)c(OC)c1 ZINC001164735365 720458010 /nfs/dbraw/zinc/45/80/10/720458010.db2.gz WQXFFJDUPXAMDD-FCHUYYIVSA-N 0 3 417.513 3.409 20 0 HGADHN COC(=O)c1nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c2ccccc2c1OC ZINC001164735069 720461012 /nfs/dbraw/zinc/46/10/12/720461012.db2.gz VMWBOBHGKAUJSN-PMACEKPBSA-N 0 3 418.497 3.278 20 0 HGADHN CC(C)(C)c1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2s1 ZINC001164743212 720656791 /nfs/dbraw/zinc/65/67/91/720656791.db2.gz XBRONWLHIBIQOW-HUUCEWRRSA-N 0 3 410.547 3.121 20 0 HGADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737564 720675721 /nfs/dbraw/zinc/67/57/21/720675721.db2.gz GECIPGOTGKGKCR-VQTJNVASSA-N 0 3 424.508 3.429 20 0 HGADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737952 720695402 /nfs/dbraw/zinc/69/54/02/720695402.db2.gz HWMBHCURWKQZQC-OLZOCXBDSA-N 0 3 417.300 3.069 20 0 HGADHN COc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164740106 720697341 /nfs/dbraw/zinc/69/73/41/720697341.db2.gz QARIHEZOSRGOIR-CVEARBPZSA-N 0 3 411.893 3.029 20 0 HGADHN CN(C)Cc1ccnc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)c1 ZINC001164843911 720746879 /nfs/dbraw/zinc/74/68/79/720746879.db2.gz MPCNVQVTBBTXKI-UHFFFAOYSA-N 0 3 421.570 3.135 20 0 HGADHN CN(Cc1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1)C1CC1 ZINC001164845172 720778648 /nfs/dbraw/zinc/77/86/48/720778648.db2.gz FIZPNCGBGJYNCC-VABKMULXSA-N 0 3 408.546 3.414 20 0 HGADHN c1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868810 721066003 /nfs/dbraw/zinc/06/60/03/721066003.db2.gz QRKSRRTVAUPFAW-CTNGQTDRSA-N 0 3 403.486 3.144 20 0 HGADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865751 721078635 /nfs/dbraw/zinc/07/86/35/721078635.db2.gz PGTZQVGAKSXWRZ-HOTGVXAUSA-N 0 3 413.884 3.297 20 0 HGADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865753 721079503 /nfs/dbraw/zinc/07/95/03/721079503.db2.gz PGTZQVGAKSXWRZ-JKSUJKDBSA-N 0 3 413.884 3.297 20 0 HGADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc1-2 ZINC001164879491 721124788 /nfs/dbraw/zinc/12/47/88/721124788.db2.gz SVBKQWLEVXOFGW-FCHUYYIVSA-N 0 3 413.525 3.117 20 0 HGADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164879568 721127052 /nfs/dbraw/zinc/12/70/52/721127052.db2.gz UAVVYXYQOFXPSG-DLBZAZTESA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(-c5cccc(Cl)n5)n4)C[C@@H]3C2)cn1 ZINC001164770590 721136819 /nfs/dbraw/zinc/13/68/19/721136819.db2.gz RBYZKEKVQINFTO-ROUUACIJSA-N 0 3 408.937 3.489 20 0 HGADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164879055 721162226 /nfs/dbraw/zinc/16/22/26/721162226.db2.gz ROTJYRKVKMHVOY-ROUUACIJSA-N 0 3 423.467 3.297 20 0 HGADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164880348 721167985 /nfs/dbraw/zinc/16/79/85/721167985.db2.gz WAANWLNKPDVCSZ-SFTDATJTSA-N 0 3 416.529 3.030 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164768704 721174192 /nfs/dbraw/zinc/17/41/92/721174192.db2.gz LOQYPSZFKIPFES-VXKWHMMOSA-N 0 3 403.530 3.352 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876478 721180065 /nfs/dbraw/zinc/18/00/65/721180065.db2.gz MRWODYFUMIPJRW-PMACEKPBSA-N 0 3 419.504 3.466 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4OCc4ccccc4)C[C@H]3C2)cn1 ZINC001164768636 721192109 /nfs/dbraw/zinc/19/21/09/721192109.db2.gz LKHNUVCAWNMHHO-FGZHOGPDSA-N 0 3 403.530 3.352 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(Cl)nc4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164772371 721215367 /nfs/dbraw/zinc/21/53/67/721215367.db2.gz TXSUEOUSTIEUHJ-OALUTQOASA-N 0 3 408.937 3.489 20 0 HGADHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164777037 721327204 /nfs/dbraw/zinc/32/72/04/721327204.db2.gz KONNFODCRGETOJ-IBGZPJMESA-N 0 3 412.509 3.418 20 0 HGADHN COc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc2ccccc21 ZINC001164894419 721425194 /nfs/dbraw/zinc/42/51/94/721425194.db2.gz MLCHYDLLFWWIIH-YADARESESA-N 0 3 410.562 3.009 20 0 HGADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164903454 721538566 /nfs/dbraw/zinc/53/85/66/721538566.db2.gz CRPOTYRRGPBHER-QFBILLFUSA-N 0 3 424.476 3.128 20 0 HGADHN CC1CCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164911655 721555503 /nfs/dbraw/zinc/55/55/03/721555503.db2.gz ZKJCFWBXWLRIKU-CTNGQTDRSA-N 0 3 411.525 3.194 20 0 HGADHN C[C@@H]1CCCN(c2cc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncn2)C1 ZINC001164910849 721559867 /nfs/dbraw/zinc/55/98/67/721559867.db2.gz XLHRHYQOFLERPI-YFVAEKQCSA-N 0 3 411.525 3.194 20 0 HGADHN C[C@@H]1CCCN(c2cc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncn2)C1 ZINC001164910829 721559929 /nfs/dbraw/zinc/55/99/29/721559929.db2.gz XLHRHYQOFLERPI-LMNJBCLMSA-N 0 3 411.525 3.194 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164903543 721560409 /nfs/dbraw/zinc/56/04/09/721560409.db2.gz CCYWJVDAFZZQBQ-TZIWHRDSSA-N 0 3 411.525 3.338 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164910445 721562545 /nfs/dbraw/zinc/56/25/45/721562545.db2.gz WZIMIDPETLMIQL-AZUAARDMSA-N 0 3 421.476 3.490 20 0 HGADHN CCOC(=O)c1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908234 721697614 /nfs/dbraw/zinc/69/76/14/721697614.db2.gz YDMRXFQYQDSNLC-NRFANRHFSA-N 0 3 416.472 3.391 20 0 HGADHN CC(=O)Nc1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904814 721703974 /nfs/dbraw/zinc/70/39/74/721703974.db2.gz DFLVCVLEQVXRBA-FQEVSTJZSA-N 0 3 401.461 3.173 20 0 HGADHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2cc(CN(C)C)ccn2)C3)n1 ZINC001164962725 722027328 /nfs/dbraw/zinc/02/73/28/722027328.db2.gz ROBZAFYRYYSJSJ-VWNXMTODSA-N 0 3 410.562 3.439 20 0 HGADHN FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983409 722100681 /nfs/dbraw/zinc/10/06/81/722100681.db2.gz PYVPYQKCSVHCAO-SJORKVTESA-N 0 3 408.880 3.402 20 0 HGADHN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977247 722101711 /nfs/dbraw/zinc/10/17/11/722101711.db2.gz FKEPTOAWBBMNOF-DLBZAZTESA-N 0 3 423.895 3.106 20 0 HGADHN c1ccc(Oc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164979355 722105722 /nfs/dbraw/zinc/10/57/22/722105722.db2.gz ICNDKDLLEBSEER-UNMCSNQZSA-N 0 3 417.513 3.391 20 0 HGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164971936 722109641 /nfs/dbraw/zinc/10/96/41/722109641.db2.gz DUHCXFKFPVORPT-OFNKIYASSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981083 722112732 /nfs/dbraw/zinc/11/27/32/722112732.db2.gz SKLVFPHLHRQPSB-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2c(cnnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981167 722121346 /nfs/dbraw/zinc/12/13/46/722121346.db2.gz TZMGALLBHGFTCJ-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1ccc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981168 722124874 /nfs/dbraw/zinc/12/48/74/722124874.db2.gz UADDAZHNWPJOSI-HKUYNNGSSA-N 0 3 402.926 3.256 20 0 HGADHN CCCN(CCC)c1cncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983833 722131186 /nfs/dbraw/zinc/13/11/86/722131186.db2.gz VNEPVHRWHPIXTC-VXKWHMMOSA-N 0 3 424.593 3.225 20 0 HGADHN c1ccc(-c2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164978020 722140565 /nfs/dbraw/zinc/14/05/65/722140565.db2.gz JDTVVWJOZZOWFH-GMAHTHKFSA-N 0 3 401.514 3.266 20 0 HGADHN c1ccc(-c2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164978022 722140923 /nfs/dbraw/zinc/14/09/23/722140923.db2.gz JDTVVWJOZZOWFH-JTHBVZDNSA-N 0 3 401.514 3.266 20 0 HGADHN Fc1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164984625 722144485 /nfs/dbraw/zinc/14/44/85/722144485.db2.gz XXBFVXASIFJYAM-OFNKIYASSA-N 0 3 419.504 3.405 20 0 HGADHN CSc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164974786 722156310 /nfs/dbraw/zinc/15/63/10/722156310.db2.gz QLGJLMONQXNIRI-DLBZAZTESA-N 0 3 417.604 3.043 20 0 HGADHN COc1cc2c(cc1CN[C@@](C)(CO)Cc1ccc(Br)cc1)OCO2 ZINC001474227524 1126203622 /nfs/dbraw/zinc/20/36/22/1126203622.db2.gz YGMQOLVIQOVGAE-LJQANCHMSA-N 0 3 408.292 3.270 20 0 HGADHN FC(F)(F)[C@H]1N(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CCC12CC[NH2+]CC2 ZINC001164387316 718814998 /nfs/dbraw/zinc/81/49/98/718814998.db2.gz FNMOHNLDMUHYIU-JTQLQIEISA-N 0 3 402.820 3.474 20 0 HGADHN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164389368 718825481 /nfs/dbraw/zinc/82/54/81/718825481.db2.gz HZNDTRQILVSFPR-QZTJIDSGSA-N 0 3 409.864 3.426 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(C)n3)CC2)CC1 ZINC001164614724 719023233 /nfs/dbraw/zinc/02/32/33/719023233.db2.gz XJXQIUKBCIYTCU-UHFFFAOYSA-N 0 3 416.900 3.227 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)CC1 ZINC001164617549 719030832 /nfs/dbraw/zinc/03/08/32/719030832.db2.gz OIBHSRBVBLPWKH-UHFFFAOYSA-N 0 3 416.900 3.106 20 0 HGADHN CCOC(=O)c1ncnc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164625974 719092781 /nfs/dbraw/zinc/09/27/81/719092781.db2.gz HVOLGXXATQPDKE-DLBZAZTESA-N 0 3 400.910 3.408 20 0 HGADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164631691 719094691 /nfs/dbraw/zinc/09/46/91/719094691.db2.gz ZCRFENRSUBQYKN-QAPCUYQASA-N 0 3 420.891 3.480 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1c(C)nc(-c3ccccc3)nc1Cl)CC2 ZINC001164690133 719744617 /nfs/dbraw/zinc/74/46/17/719744617.db2.gz UEVMVBXTZLNFEJ-UHFFFAOYSA-N 0 3 413.953 3.286 20 0 HGADHN COCc1nn(-c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)c2c1CNC2 ZINC001164710161 720078567 /nfs/dbraw/zinc/07/85/67/720078567.db2.gz IGLOKVBGDRFFJD-UHFFFAOYSA-N 0 3 420.542 3.355 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(CN(C)C3CC3)cn2)cs1 ZINC001164816033 720259927 /nfs/dbraw/zinc/25/99/27/720259927.db2.gz FOTVAYGUBNJJJB-PMACEKPBSA-N 0 3 411.575 3.211 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2CN2CCCC2)cs1 ZINC001164818353 720260464 /nfs/dbraw/zinc/26/04/64/720260464.db2.gz YSOSXXJTPXLVPU-WOJBJXKFSA-N 0 3 411.575 3.212 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821837 720391201 /nfs/dbraw/zinc/39/12/01/720391201.db2.gz JGWHCHIKRQDGIA-VWPQPMDRSA-N 0 3 414.575 3.395 20 0 HGADHN CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)CC1 ZINC001164727975 720436319 /nfs/dbraw/zinc/43/63/19/720436319.db2.gz FMJQJMMKQJMUAA-YADHBBJMSA-N 0 3 405.546 3.202 20 0 HGADHN CN(C)Cc1ccnc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729508 720496950 /nfs/dbraw/zinc/49/69/50/720496950.db2.gz RHXSYLSFJMGCFX-WMZHIEFXSA-N 0 3 414.525 3.006 20 0 HGADHN COc1ccc2c(cc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744849 720732767 /nfs/dbraw/zinc/73/27/67/720732767.db2.gz SVWAWJILTFLRJF-WBVHZDCISA-N 0 3 411.893 3.029 20 0 HGADHN COc1cc2cnc(Cl)cc2cc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749825 720807693 /nfs/dbraw/zinc/80/76/93/720807693.db2.gz UPKWFEQHBRGWQG-IAGOWNOFSA-N 0 3 411.893 3.029 20 0 HGADHN c1ccc(CO[C@H]2CO[C@@]3(C2)CCCN(c2ccc(CN4CCCC4)cn2)C3)nc1 ZINC001164771053 721030592 /nfs/dbraw/zinc/03/05/92/721030592.db2.gz ZIYLKQRKCUFMAH-ISKFKSNPSA-N 0 3 408.546 3.417 20 0 HGADHN c1ccc(Oc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164868031 721061539 /nfs/dbraw/zinc/06/15/39/721061539.db2.gz MHLZAHIMDDBYOI-CTNGQTDRSA-N 0 3 403.486 3.144 20 0 HGADHN Fc1ccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864382 721081973 /nfs/dbraw/zinc/08/19/73/721081973.db2.gz FRKQEFAOIWQTQP-NHCUHLMSSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@@H]3C2)cn1 ZINC001164773926 721108509 /nfs/dbraw/zinc/10/85/09/721108509.db2.gz ZHLBBWOWMBDRJD-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN Cc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878967 721146910 /nfs/dbraw/zinc/14/69/10/721146910.db2.gz RDGAAKFPKNMLNH-FGZHOGPDSA-N 0 3 401.514 3.327 20 0 HGADHN COc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164874452 721146921 /nfs/dbraw/zinc/14/69/21/721146921.db2.gz KAVLYCLGXKQUAQ-IRLDBZIGSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164872508 721147514 /nfs/dbraw/zinc/14/75/14/721147514.db2.gz HJVWIQARMKVMHK-PMACEKPBSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccccc1-c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164879424 721155014 /nfs/dbraw/zinc/15/50/14/721155014.db2.gz SDHBCSLWXJAUEF-PMACEKPBSA-N 0 3 417.513 3.027 20 0 HGADHN Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164771381 721162346 /nfs/dbraw/zinc/16/23/46/721162346.db2.gz SLQNHJRHBIMIBU-ZWKOTPCHSA-N 0 3 402.502 3.376 20 0 HGADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164871081 721167014 /nfs/dbraw/zinc/16/70/14/721167014.db2.gz DINJZMUNUCNYPM-PMACEKPBSA-N 0 3 420.517 3.130 20 0 HGADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164871083 721167568 /nfs/dbraw/zinc/16/75/68/721167568.db2.gz DINJZMUNUCNYPM-VQTJNVASSA-N 0 3 420.517 3.130 20 0 HGADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880734 721182347 /nfs/dbraw/zinc/18/23/47/721182347.db2.gz XJLHLSBQYMOXNE-MOPGFXCFSA-N 0 3 422.920 3.067 20 0 HGADHN Cc1ccc(C)c(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164772867 721212139 /nfs/dbraw/zinc/21/21/39/721212139.db2.gz VQDPRUIITUKMMP-NHCUHLMSSA-N 0 3 402.546 3.452 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164766735 721230370 /nfs/dbraw/zinc/23/03/70/721230370.db2.gz VIGIBSHMTZSSDW-CABCVRRESA-N 0 3 416.451 3.398 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164769863 721238374 /nfs/dbraw/zinc/23/83/74/721238374.db2.gz ZWFPFABCCCHRLV-WOJBJXKFSA-N 0 3 420.586 3.461 20 0 HGADHN COC(=O)c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1Cl ZINC001164899595 721514290 /nfs/dbraw/zinc/51/42/90/721514290.db2.gz LGINNCUIZATLDO-GDBMZVCRSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CSC5)CCN3C2)c1 ZINC001164901625 721524502 /nfs/dbraw/zinc/52/45/02/721524502.db2.gz XTMLLXBEJAVHFX-UKRRQHHQSA-N 0 3 406.914 3.358 20 0 HGADHN COC(=O)/C=C/c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906912 721547837 /nfs/dbraw/zinc/54/78/37/721547837.db2.gz LTMREJWRDKQNLU-VKEZQZQQSA-N 0 3 411.477 3.057 20 0 HGADHN FC1(F)CCN(c2ccc(CN3CCCC3)cn2)C[C@]12CCN(c1cnccn1)C2 ZINC001164917772 721803002 /nfs/dbraw/zinc/80/30/02/721803002.db2.gz YHJDJUMHJAEQKR-NRFANRHFSA-N 0 3 414.504 3.210 20 0 HGADHN FC(F)(c1ccc(Cl)nn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961948 722054187 /nfs/dbraw/zinc/05/41/87/722054187.db2.gz ZPZPEILMNUPLJF-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN c1cc2c(nc(C3CC3)nc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)[nH]1 ZINC001164963693 722061697 /nfs/dbraw/zinc/06/16/97/722061697.db2.gz BZAFLVKZHYHAPD-UHFFFAOYSA-N 0 3 418.545 3.349 20 0 HGADHN CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164964646 722066421 /nfs/dbraw/zinc/06/64/21/722066421.db2.gz ABLWQYKVITZVBA-UHFFFAOYSA-N 0 3 413.591 3.125 20 0 HGADHN FC(F)(c1ccnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986541 722100768 /nfs/dbraw/zinc/10/07/68/722100768.db2.gz ZGZOVUHCEZCHKK-SJLPKXTDSA-N 0 3 408.880 3.402 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164974998 722109812 /nfs/dbraw/zinc/10/98/12/722109812.db2.gz JEDBUHGQVQZAGQ-IAGOWNOFSA-N 0 3 423.895 3.106 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@@H]3C2)c1 ZINC001164980365 722139237 /nfs/dbraw/zinc/13/92/37/722139237.db2.gz NFSIRPJQQMFSEX-MJGOQNOKSA-N 0 3 421.570 3.302 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nn1 ZINC001164979700 722143402 /nfs/dbraw/zinc/14/34/02/722143402.db2.gz LTJUJBGYAWGQLX-SJLPKXTDSA-N 0 3 423.895 3.106 20 0 HGADHN c1ccc(Cc2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985060 722147061 /nfs/dbraw/zinc/14/70/61/722147061.db2.gz ZATCDMUFLIUBBL-XZOQPEGZSA-N 0 3 415.541 3.190 20 0 HGADHN CCc1nc2sccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980954 722150557 /nfs/dbraw/zinc/15/05/57/722150557.db2.gz OFZWXTHKQZPEDM-HKUYNNGSSA-N 0 3 409.559 3.376 20 0 HGADHN CSc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164972558 722153966 /nfs/dbraw/zinc/15/39/66/722153966.db2.gz IKCCJTLQNCHQCS-GCJKJVERSA-N 0 3 421.570 3.474 20 0 HGADHN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751355 1126198923 /nfs/dbraw/zinc/19/89/23/1126198923.db2.gz UCBGRZVZHYRQIV-LEWJYISDSA-N 0 3 408.464 3.143 20 0 HGADHN NC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626574 719056031 /nfs/dbraw/zinc/05/60/31/719056031.db2.gz SFZDTRFCUXHOAL-NVXWUHKLSA-N 0 3 420.891 3.480 20 0 HGADHN CN(C)Cc1ccnc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)c1 ZINC001164655131 719323425 /nfs/dbraw/zinc/32/34/25/719323425.db2.gz NVUZDZYSCHGNEG-UHFFFAOYSA-N 0 3 418.545 3.286 20 0 HGADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164726642 720340206 /nfs/dbraw/zinc/34/02/06/720340206.db2.gz QTIUWCQPZBUDMP-PMACEKPBSA-N 0 3 403.486 3.055 20 0 HGADHN CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)CC1 ZINC001164727971 720435225 /nfs/dbraw/zinc/43/52/25/720435225.db2.gz FMJQJMMKQJMUAA-FGZHOGPDSA-N 0 3 405.546 3.202 20 0 HGADHN COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)c(OC)c1 ZINC001164735366 720457542 /nfs/dbraw/zinc/45/75/42/720457542.db2.gz WQXFFJDUPXAMDD-FGZHOGPDSA-N 0 3 417.513 3.409 20 0 HGADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737565 720677581 /nfs/dbraw/zinc/67/75/81/720677581.db2.gz GECIPGOTGKGKCR-WOJBJXKFSA-N 0 3 424.508 3.429 20 0 HGADHN c1ccc(CO[C@H]2CO[C@]3(C2)CCCN(c2ccc(CN4CCCC4)cn2)C3)nc1 ZINC001164771063 721030130 /nfs/dbraw/zinc/03/01/30/721030130.db2.gz ZIYLKQRKCUFMAH-VWNXMTODSA-N 0 3 408.546 3.417 20 0 HGADHN CN(Cc1ccc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1)C1CC1 ZINC001164765362 721030908 /nfs/dbraw/zinc/03/09/08/721030908.db2.gz OVGNMPLFJBDSBM-ISKFKSNPSA-N 0 3 408.546 3.416 20 0 HGADHN Fc1ccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864388 721081950 /nfs/dbraw/zinc/08/19/50/721081950.db2.gz FRKQEFAOIWQTQP-SFTDATJTSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164773261 721122585 /nfs/dbraw/zinc/12/25/85/721122585.db2.gz XOASRQFQZMHGJK-SJORKVTESA-N 0 3 400.958 3.091 20 0 HGADHN Fc1cccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164880704 721125422 /nfs/dbraw/zinc/12/54/22/721125422.db2.gz XDODDAXTJKZJNT-PZJWPPBQSA-N 0 3 421.476 3.283 20 0 HGADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164879574 721128855 /nfs/dbraw/zinc/12/88/55/721128855.db2.gz UAVVYXYQOFXPSG-SJORKVTESA-N 0 3 413.884 3.297 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164874570 721140166 /nfs/dbraw/zinc/14/01/66/721140166.db2.gz KRRGRCFRGKRRHB-ZWKOTPCHSA-N 0 3 421.570 3.363 20 0 HGADHN COc1ccccc1-c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881078 721155295 /nfs/dbraw/zinc/15/52/95/721155295.db2.gz YXFYNYPYFZPIMK-UXHICEINSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164880687 721162801 /nfs/dbraw/zinc/16/28/01/721162801.db2.gz XCPPNVZLFFQOBP-NHCUHLMSSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccccc5Cl)nn4)C[C@@H]3C2)cn1 ZINC001164768524 721164634 /nfs/dbraw/zinc/16/46/34/721164634.db2.gz LHGRLKZCVHNGDI-MSOLQXFVSA-N 0 3 408.937 3.489 20 0 HGADHN CSc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878638 721180013 /nfs/dbraw/zinc/18/00/13/721180013.db2.gz QTWPWRHSLOSFGB-QZTJIDSGSA-N 0 3 407.543 3.226 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@@H]3C2)cn1 ZINC001164765062 721185745 /nfs/dbraw/zinc/18/57/45/721185745.db2.gz HOKTZBCPNXGBLK-HOTGVXAUSA-N 0 3 421.936 3.456 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@H]3C2)cn1 ZINC001164765068 721185789 /nfs/dbraw/zinc/18/57/89/721185789.db2.gz HOKTZBCPNXGBLK-JKSUJKDBSA-N 0 3 421.936 3.456 20 0 HGADHN CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771438 721186339 /nfs/dbraw/zinc/18/63/39/721186339.db2.gz PVBLRPXTMJMCMD-DLBZAZTESA-N 0 3 413.957 3.357 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@@H]3C2)cn1 ZINC001164762038 721189763 /nfs/dbraw/zinc/18/97/63/721189763.db2.gz CCTAQZYGCRCHOB-KBPBESRZSA-N 0 3 418.332 3.023 20 0 HGADHN Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164767139 721237936 /nfs/dbraw/zinc/23/79/36/721237936.db2.gz VXDQUJOXNAIMLH-MSOLQXFVSA-N 0 3 400.958 3.398 20 0 HGADHN Cc1c(Cl)nc(C2CCC2)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164767145 721238787 /nfs/dbraw/zinc/23/87/87/721238787.db2.gz VXDQUJOXNAIMLH-ZWKOTPCHSA-N 0 3 400.958 3.398 20 0 HGADHN COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887119 721380709 /nfs/dbraw/zinc/38/07/09/721380709.db2.gz HAKMCMFAEIVXEN-DHLKQENFSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164884083 721421934 /nfs/dbraw/zinc/42/19/34/721421934.db2.gz DAPYKUWZXSYGOC-BWKNWUBXSA-N 0 3 424.589 3.317 20 0 HGADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901682 721524841 /nfs/dbraw/zinc/52/48/41/721524841.db2.gz XYJNBCYZAIHITI-GDBMZVCRSA-N 0 3 418.900 3.376 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5ncsc54)CCN3C2)c1 ZINC001164908615 721535729 /nfs/dbraw/zinc/53/57/29/721535729.db2.gz PUODREVGXFWMMC-TZMCWYRMSA-N 0 3 405.886 3.221 20 0 HGADHN COC(=O)/C=C/c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906913 721547329 /nfs/dbraw/zinc/54/73/29/721547329.db2.gz LTMREJWRDKQNLU-WBWXQYNJSA-N 0 3 411.477 3.057 20 0 HGADHN FC1(F)CCN(c2cncc(N3CCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907323 721715449 /nfs/dbraw/zinc/71/54/49/721715449.db2.gz QXPQPWQKMTYEGV-OAQYLSRUSA-N 0 3 414.504 3.210 20 0 HGADHN FC1(F)CCN(c2cncc(N3CCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907322 721716524 /nfs/dbraw/zinc/71/65/24/721716524.db2.gz QXPQPWQKMTYEGV-NRFANRHFSA-N 0 3 414.504 3.210 20 0 HGADHN FC1(F)CCN(c2ncccc2CN2CCCC2)C[C@@]12CCN(c1cnccn1)C2 ZINC001164918001 721803427 /nfs/dbraw/zinc/80/34/27/721803427.db2.gz YYGQLFICFIOQCE-NRFANRHFSA-N 0 3 414.504 3.210 20 0 HGADHN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc(CN3CCCC3)cn2)n1 ZINC001164917589 721810909 /nfs/dbraw/zinc/81/09/09/721810909.db2.gz NOIKITURTLWLFV-NNMXDRDESA-N 0 3 414.575 3.335 20 0 HGADHN CN(C)C(=O)c1cc2cnc(N3CCN(C4CCCC4)CC3)nc2n1C1CCCC1 ZINC001165027965 721856309 /nfs/dbraw/zinc/85/63/09/721856309.db2.gz DWLMBDPJNJCCMX-UHFFFAOYSA-N 0 3 410.566 3.313 20 0 HGADHN c1nc(COc2cccnc2)c2n1CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164949738 721998326 /nfs/dbraw/zinc/99/83/26/721998326.db2.gz GOWCNXKOMNVKRP-UHFFFAOYSA-N 0 3 404.518 3.258 20 0 HGADHN F[C@H](Oc1cccc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962481 722055991 /nfs/dbraw/zinc/05/59/91/722055991.db2.gz DVPYBTRSZWNKRI-FQEVSTJZSA-N 0 3 420.916 3.377 20 0 HGADHN Cc1cncc(COCc2cnc3n2CCN(c2cc(CN(C)C)ccn2)[C@@H]3C)c1 ZINC001164962798 722063426 /nfs/dbraw/zinc/06/34/26/722063426.db2.gz ADTFJVIMQBLQNP-GOSISDBHSA-N 0 3 406.534 3.341 20 0 HGADHN Cc1nc2ccc(F)cc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984387 722108015 /nfs/dbraw/zinc/10/80/15/722108015.db2.gz TWXHELHCSBGPOQ-AVRDEDQJSA-N 0 3 407.493 3.200 20 0 HGADHN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978301 722108848 /nfs/dbraw/zinc/10/88/48/722108848.db2.gz OKKUUVULGLIBMY-AEFFLSMTSA-N 0 3 424.879 3.282 20 0 HGADHN COc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164971935 722109572 /nfs/dbraw/zinc/10/95/72/722109572.db2.gz DUHCXFKFPVORPT-NZQKXSOJSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ccnc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc12 ZINC001164971856 722113478 /nfs/dbraw/zinc/11/34/78/722113478.db2.gz CRRZQASFVTUBEB-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981526 722114680 /nfs/dbraw/zinc/11/46/80/722114680.db2.gz ULVPKFUMFIWVRM-IEBWSBKVSA-N 0 3 402.926 3.256 20 0 HGADHN Clc1ccc2c(cnnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981166 722121748 /nfs/dbraw/zinc/12/17/48/722121748.db2.gz TZMGALLBHGFTCJ-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1ccc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981170 722125137 /nfs/dbraw/zinc/12/51/37/722125137.db2.gz UADDAZHNWPJOSI-MJGOQNOKSA-N 0 3 402.926 3.256 20 0 HGADHN Cc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)o1 ZINC001164974402 722147835 /nfs/dbraw/zinc/14/78/35/722147835.db2.gz DRMFDXAFNSDCAI-UGKGYDQZSA-N 0 3 405.502 3.167 20 0 HGADHN Fc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164977039 722148183 /nfs/dbraw/zinc/14/81/83/722148183.db2.gz IAVBYYPFEVVSOE-AUSIDOKSSA-N 0 3 419.504 3.405 20 0 HGADHN CC(C)c1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973350 722153276 /nfs/dbraw/zinc/15/32/76/722153276.db2.gz LXYYDISJJXIYRI-MSOLQXFVSA-N 0 3 401.942 3.376 20 0 HGADHN Fc1ccc(-c2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971139 722153959 /nfs/dbraw/zinc/15/39/59/722153959.db2.gz AUDYYFGZWJBRDS-NZQKXSOJSA-N 0 3 419.504 3.405 20 0 HGADHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN[C@H](CO)Cc3ccccc3)o2)CC1 ZINC001308375279 1126165455 /nfs/dbraw/zinc/16/54/55/1126165455.db2.gz JPENNKQKYHFZIK-IBGZPJMESA-N 0 3 415.534 3.030 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(CCc3ccccc3)s2)[C@@H](O)C1 ZINC001308496152 1126167317 /nfs/dbraw/zinc/16/73/17/1126167317.db2.gz QIPRCIABKJTMJS-MOPGFXCFSA-N 0 3 417.575 3.388 20 0 HGADHN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2cn3ccccc3n2)s1 ZINC000556234242 370702883 /nfs/dbraw/zinc/70/28/83/370702883.db2.gz OJTMGSUMLSDIOZ-OAHLLOKOSA-N 0 3 406.577 3.320 20 0 HGADHN c1cnc(-c2noc([C@@]34CCC[C@@H]3CN(Cc3ccc(N5CCCC5)nc3)C4)n2)cn1 ZINC000328604101 569417250 /nfs/dbraw/zinc/41/72/50/569417250.db2.gz INNKFEYNUNGNRB-WZONZLPQSA-N 0 3 417.517 3.076 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)c2c1CCNC2 ZINC001164680145 719634356 /nfs/dbraw/zinc/63/43/56/719634356.db2.gz PZBGOGDUOSQMDS-UHFFFAOYSA-N 0 3 408.884 3.496 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164689850 719745183 /nfs/dbraw/zinc/74/51/83/719745183.db2.gz LZTGGKAKWJYOQL-UHFFFAOYSA-N 0 3 417.916 3.117 20 0 HGADHN O=C1COC2(CCN(c3ncccc3CN3CCCC3)CC2)CN1c1ccccc1 ZINC001164700365 719836958 /nfs/dbraw/zinc/83/69/58/719836958.db2.gz JQDJWNHSWCFCEL-UHFFFAOYSA-N 0 3 406.530 3.080 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(CN3CCCC3)cn2)cs1 ZINC001164816278 720258332 /nfs/dbraw/zinc/25/83/32/720258332.db2.gz HIPKJRDRIYLJBM-UXHICEINSA-N 0 3 411.575 3.212 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2CN2CCCC2)cs1 ZINC001164818350 720260645 /nfs/dbraw/zinc/26/06/45/720260645.db2.gz YSOSXXJTPXLVPU-VQTJNVASSA-N 0 3 411.575 3.212 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2CN2CCCC2)cs1 ZINC001164818348 720260862 /nfs/dbraw/zinc/26/08/62/720260862.db2.gz YSOSXXJTPXLVPU-UXHICEINSA-N 0 3 411.575 3.212 20 0 HGADHN CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164728390 720330577 /nfs/dbraw/zinc/33/05/77/720330577.db2.gz VLLHWSNPOQLXGW-IAGOWNOFSA-N 0 3 423.542 3.425 20 0 HGADHN COc1cc2nc(C)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723747 720386483 /nfs/dbraw/zinc/38/64/83/720386483.db2.gz HDDFPGVWCFZPLG-VQTJNVASSA-N 0 3 405.502 3.204 20 0 HGADHN CN(C)Cc1ccnc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729509 720496269 /nfs/dbraw/zinc/49/62/69/720496269.db2.gz RHXSYLSFJMGCFX-XXBNENTESA-N 0 3 414.525 3.006 20 0 HGADHN c1ccc(-c2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164739300 720690219 /nfs/dbraw/zinc/69/02/19/720690219.db2.gz MVZXXMKFDXWLKA-UXHICEINSA-N 0 3 424.508 3.429 20 0 HGADHN COc1ccc2c(c1)nc(Cl)cc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744336 720694188 /nfs/dbraw/zinc/69/41/88/720694188.db2.gz ZJVWJCMGFHRSCN-ZBFHGGJFSA-N 0 3 411.893 3.029 20 0 HGADHN Cc1csc2c1nc(Cl)cc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737876 720734752 /nfs/dbraw/zinc/73/47/52/720734752.db2.gz DDLBAHAXKDIQAH-UONOGXRCSA-N 0 3 401.923 3.390 20 0 HGADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748906 720792248 /nfs/dbraw/zinc/79/22/48/720792248.db2.gz RVBRDRQTFZODOV-ZIAGYGMSSA-N 0 3 417.300 3.069 20 0 HGADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868735 721055874 /nfs/dbraw/zinc/05/58/74/721055874.db2.gz QEIAVNRWQBHIAY-IRXDYDNUSA-N 0 3 413.884 3.297 20 0 HGADHN Clc1ncnc2scc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164868926 721074993 /nfs/dbraw/zinc/07/49/93/721074993.db2.gz RFSMMRSLNQZIFH-HUUCEWRRSA-N 0 3 401.923 3.219 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@@H]3C2)cn1 ZINC001164773927 721109099 /nfs/dbraw/zinc/10/90/99/721109099.db2.gz ZHLBBWOWMBDRJD-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN CC(C)(C)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872618 721127733 /nfs/dbraw/zinc/12/77/33/721127733.db2.gz HXWHLZCVOXFKNA-IRXDYDNUSA-N 0 3 401.942 3.302 20 0 HGADHN CCc1cc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164879099 721130253 /nfs/dbraw/zinc/13/02/53/721130253.db2.gz RTDVVZMHQUHGQY-SJORKVTESA-N 0 3 412.925 3.048 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ncc4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164763423 721137827 /nfs/dbraw/zinc/13/78/27/721137827.db2.gz FQOSVELUERHAKQ-OALUTQOASA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ncc4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164763424 721138135 /nfs/dbraw/zinc/13/81/35/721138135.db2.gz FQOSVELUERHAKQ-RBUKOAKNSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ncc4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164763425 721138772 /nfs/dbraw/zinc/13/87/72/721138772.db2.gz FQOSVELUERHAKQ-RTBURBONSA-N 0 3 408.937 3.489 20 0 HGADHN COc1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164872514 721146729 /nfs/dbraw/zinc/14/67/29/721146729.db2.gz HJVWIQARMKVMHK-WOJBJXKFSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878976 721169914 /nfs/dbraw/zinc/16/99/14/721169914.db2.gz RDHUHKQGKVBLLR-DLBZAZTESA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164768702 721173245 /nfs/dbraw/zinc/17/32/45/721173245.db2.gz LOQYPSZFKIPFES-FGZHOGPDSA-N 0 3 403.530 3.352 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@@H]3C2)cn1 ZINC001164765056 721184991 /nfs/dbraw/zinc/18/49/91/721184991.db2.gz HOKTZBCPNXGBLK-CVEARBPZSA-N 0 3 421.936 3.456 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(NC(=O)OC(C)(C)C)cn4)C[C@H]3C2)cn1 ZINC001164764173 721188587 /nfs/dbraw/zinc/18/85/87/721188587.db2.gz GKIBLLILJOKEKK-ZWKOTPCHSA-N 0 3 412.538 3.120 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164770880 721213631 /nfs/dbraw/zinc/21/36/31/721213631.db2.gz PALARRALXAMTLW-NHCUHLMSSA-N 0 3 421.520 3.492 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc5nc(Cl)cnc5cc4F)C[C@H]3C2)cn1 ZINC001164768508 721214186 /nfs/dbraw/zinc/21/41/86/721214186.db2.gz LFCDNGSEJVJQBN-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763938 721235112 /nfs/dbraw/zinc/23/51/12/721235112.db2.gz OHBMFIUUECDXRR-MSOLQXFVSA-N 0 3 402.974 3.329 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761544 721236283 /nfs/dbraw/zinc/23/62/83/721236283.db2.gz JJLGDCZRBKMTHT-RBUKOAKNSA-N 0 3 406.509 3.283 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761543 721236519 /nfs/dbraw/zinc/23/65/19/721236519.db2.gz JJLGDCZRBKMTHT-OALUTQOASA-N 0 3 406.509 3.283 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164764886 721244030 /nfs/dbraw/zinc/24/40/30/721244030.db2.gz QIIOSFGVGYSOLM-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN O=C1CCC2(CCN(c3ncccc3CN3CCCC3)CC2)N1Cc1ccncc1 ZINC001164901036 721507310 /nfs/dbraw/zinc/50/73/10/721507310.db2.gz WDNWQENSNBJVKY-UHFFFAOYSA-N 0 3 405.546 3.234 20 0 HGADHN COC(=O)c1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906188 721584799 /nfs/dbraw/zinc/58/47/99/721584799.db2.gz LXSYBBQAXTUTBT-HXUWFJFHSA-N 0 3 402.445 3.001 20 0 HGADHN CN1CCN(c2cccc(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)n2)CC1 ZINC001165045153 721940128 /nfs/dbraw/zinc/94/01/28/721940128.db2.gz WAMAPUPJHMEFMC-UHFFFAOYSA-N 0 3 422.964 3.362 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001164942926 721967364 /nfs/dbraw/zinc/96/73/64/721967364.db2.gz DNBFGGPGASOILN-ZCYQVOJMSA-N 0 3 404.558 3.446 20 0 HGADHN FC(F)(c1cnc(Cl)nc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958712 722053490 /nfs/dbraw/zinc/05/34/90/722053490.db2.gz FOYBEZBINSIDBF-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977251 722101629 /nfs/dbraw/zinc/10/16/29/722101629.db2.gz FKEPTOAWBBMNOF-SJORKVTESA-N 0 3 423.895 3.106 20 0 HGADHN Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985294 722105562 /nfs/dbraw/zinc/10/55/62/722105562.db2.gz WGTJXLIJJFZDAL-DLBZAZTESA-N 0 3 423.895 3.106 20 0 HGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164971934 722109692 /nfs/dbraw/zinc/10/96/92/722109692.db2.gz DUHCXFKFPVORPT-NFBKMPQASA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ncnc2scc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164974087 722110869 /nfs/dbraw/zinc/11/08/69/722110869.db2.gz ILJLCQFZKBKCNA-NVXWUHKLSA-N 0 3 415.950 3.467 20 0 HGADHN CCOc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981523 722114532 /nfs/dbraw/zinc/11/45/32/722114532.db2.gz ULVPKFUMFIWVRM-HKUYNNGSSA-N 0 3 402.926 3.256 20 0 HGADHN CCc1c(Cl)nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1CC ZINC001164980410 722119806 /nfs/dbraw/zinc/11/98/06/722119806.db2.gz RDBQBYGFHZKXFF-FXAWDEMLSA-N 0 3 415.969 3.377 20 0 HGADHN CCCN(CCC)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164975196 722131319 /nfs/dbraw/zinc/13/13/19/722131319.db2.gz FNBQVZQZRGRNNN-VXKWHMMOSA-N 0 3 424.593 3.225 20 0 HGADHN CCCN(CCC)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164975195 722131492 /nfs/dbraw/zinc/13/14/92/722131492.db2.gz FNBQVZQZRGRNNN-FGZHOGPDSA-N 0 3 424.593 3.225 20 0 HGADHN Fc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164976124 722145665 /nfs/dbraw/zinc/14/56/65/722145665.db2.gz HGYTXDWOHLMPFG-REWPJTCUSA-N 0 3 419.504 3.405 20 0 HGADHN COc1cccc2c1ccnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972815 722146445 /nfs/dbraw/zinc/14/64/45/722146445.db2.gz ARYLSBFNYSQPFK-CVDCTZTESA-N 0 3 404.514 3.366 20 0 HGADHN CCc1nc2sccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980957 722150454 /nfs/dbraw/zinc/15/04/54/722150454.db2.gz OFZWXTHKQZPEDM-MJGOQNOKSA-N 0 3 409.559 3.376 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(-c3ccccc3F)s2)[C@@H](O)C1 ZINC001179402356 1126152316 /nfs/dbraw/zinc/15/23/16/1126152316.db2.gz SGXFILKTHZUUSJ-IRXDYDNUSA-N 0 3 407.511 3.409 20 0 HGADHN COC(=O)c1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)o1 ZINC001307929377 1126162086 /nfs/dbraw/zinc/16/20/86/1126162086.db2.gz UOKSORDWLMAVOH-IBGZPJMESA-N 0 3 408.292 3.147 20 0 HGADHN COc1c(C)cnc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1C ZINC001460425722 1126191384 /nfs/dbraw/zinc/19/13/84/1126191384.db2.gz YSQJGAQCLAIEED-FQEVSTJZSA-N 0 3 405.336 3.479 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2ccccc2I)cc1 ZINC001461733979 1126196745 /nfs/dbraw/zinc/19/67/45/1126196745.db2.gz BAXXLVRVFNRLLE-SFHVURJKSA-N 0 3 411.283 3.383 20 0 HGADHN Cc1nn(-c2ccncc2)cc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328603880 569294166 /nfs/dbraw/zinc/29/41/66/569294166.db2.gz HHWXWIGIGDRDCN-AUSIDOKSSA-N 0 3 404.518 3.465 20 0 HGADHN CSc1nc(Cl)cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)n1 ZINC001164683934 719605200 /nfs/dbraw/zinc/60/52/00/719605200.db2.gz LPJJYVVVQGIWKI-UHFFFAOYSA-N 0 3 416.929 3.132 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cncc(Sc3cccc(C)c3)n1)CC2 ZINC001164685987 719734416 /nfs/dbraw/zinc/73/44/16/719734416.db2.gz OBGDWQFXBULYMB-UHFFFAOYSA-N 0 3 411.575 3.117 20 0 HGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721720 720341472 /nfs/dbraw/zinc/34/14/72/720341472.db2.gz DBXPIXKMWKATFP-YADHBBJMSA-N 0 3 405.546 3.392 20 0 HGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729819 720342375 /nfs/dbraw/zinc/34/23/75/720342375.db2.gz YIRQRCWYTQYXOM-XZOQPEGZSA-N 0 3 413.525 3.260 20 0 HGADHN CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725399 720380548 /nfs/dbraw/zinc/38/05/48/720380548.db2.gz NFOLIKPSHNJBMZ-UXHICEINSA-N 0 3 403.486 3.055 20 0 HGADHN CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164732819 720420706 /nfs/dbraw/zinc/42/07/06/720420706.db2.gz OINXKEGMBDRKQV-DHIUTWEWSA-N 0 3 400.530 3.458 20 0 HGADHN COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c(OC)c1 ZINC001164735367 720458452 /nfs/dbraw/zinc/45/84/52/720458452.db2.gz WQXFFJDUPXAMDD-VXKWHMMOSA-N 0 3 417.513 3.409 20 0 HGADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737955 720695260 /nfs/dbraw/zinc/69/52/60/720695260.db2.gz HWMBHCURWKQZQC-STQMWFEESA-N 0 3 417.300 3.069 20 0 HGADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845275 720739981 /nfs/dbraw/zinc/73/99/81/720739981.db2.gz YRWYNIVNUNEOHY-UHFFFAOYSA-N 0 3 421.883 3.405 20 0 HGADHN c1cnc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)c(CN2CCCC2)c1 ZINC001164842374 720743902 /nfs/dbraw/zinc/74/39/02/720743902.db2.gz DCOIMSGZNVQDMF-UHFFFAOYSA-N 0 3 419.577 3.014 20 0 HGADHN CN(Cc1ccc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1)C1CC1 ZINC001164845175 720778880 /nfs/dbraw/zinc/77/88/80/720778880.db2.gz FIZPNCGBGJYNCC-ZRBLBEILSA-N 0 3 408.546 3.414 20 0 HGADHN O=C(N[C@H]1CCO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1ccccc1 ZINC001164855566 720903032 /nfs/dbraw/zinc/90/30/32/720903032.db2.gz INARAHWHEMCLLF-WIOPSUGQSA-N 0 3 420.557 3.235 20 0 HGADHN c1ccc(Oc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164868036 721061737 /nfs/dbraw/zinc/06/17/37/721061737.db2.gz MHLZAHIMDDBYOI-TZIWHRDSSA-N 0 3 403.486 3.144 20 0 HGADHN Clc1ncnc2scc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164868927 721075727 /nfs/dbraw/zinc/07/57/27/721075727.db2.gz RFSMMRSLNQZIFH-LSDHHAIUSA-N 0 3 401.923 3.219 20 0 HGADHN CSc1nc2sccc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164765636 721083123 /nfs/dbraw/zinc/08/31/23/721083123.db2.gz JFEIPAWHINZPLE-HUUCEWRRSA-N 0 3 400.577 3.105 20 0 HGADHN Cc1sc2nc(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164865416 721084238 /nfs/dbraw/zinc/08/42/38/721084238.db2.gz LEWUPMXRFNNXDP-RBUKOAKNSA-N 0 3 409.559 3.491 20 0 HGADHN Cc1sc2nc(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164865414 721085211 /nfs/dbraw/zinc/08/52/11/721085211.db2.gz LEWUPMXRFNNXDP-MOPGFXCFSA-N 0 3 409.559 3.491 20 0 HGADHN CSc1nc2ccccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867331 721097956 /nfs/dbraw/zinc/09/79/56/721097956.db2.gz XXWBRTXRZYZZIP-QZTJIDSGSA-N 0 3 407.543 3.226 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164874568 721139607 /nfs/dbraw/zinc/13/96/07/721139607.db2.gz KRRGRCFRGKRRHB-QZTJIDSGSA-N 0 3 421.570 3.363 20 0 HGADHN COc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164874451 721146425 /nfs/dbraw/zinc/14/64/25/721146425.db2.gz KAVLYCLGXKQUAQ-IFMALSPDSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccccc1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881083 721154437 /nfs/dbraw/zinc/15/44/37/721154437.db2.gz YXFYNYPYFZPIMK-WOJBJXKFSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1cc2ncc(Cl)nc2cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877064 721159718 /nfs/dbraw/zinc/15/97/18/721159718.db2.gz OQTCUZQDXLRMBP-JKSUJKDBSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1c(Cl)nc(C(C)C)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871548 721178717 /nfs/dbraw/zinc/17/87/17/721178717.db2.gz FGOJKLLZSYCADL-QZTJIDSGSA-N 0 3 401.942 3.437 20 0 HGADHN Fc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccsc1 ZINC001164870285 721184247 /nfs/dbraw/zinc/18/42/47/721184247.db2.gz CJBNUGFBCGWHPA-MSOLQXFVSA-N 0 3 411.506 3.219 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4OCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164768646 721192468 /nfs/dbraw/zinc/19/24/68/721192468.db2.gz LKHNUVCAWNMHHO-YADHBBJMSA-N 0 3 403.530 3.352 20 0 HGADHN CCc1nc2sc3c(c2c(N2C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCC3 ZINC001164771827 721195095 /nfs/dbraw/zinc/19/50/95/721195095.db2.gz RBLDZVNIWIFQHO-IAGOWNOFSA-N 0 3 422.602 3.434 20 0 HGADHN Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164772866 721211351 /nfs/dbraw/zinc/21/13/51/721211351.db2.gz VQDPRUIITUKMMP-LEWJYISDSA-N 0 3 402.546 3.452 20 0 HGADHN CCN(c1ccccc1)c1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164772423 721225978 /nfs/dbraw/zinc/22/59/78/721225978.db2.gz UQENTQXFFXXRGY-RTWAWAEBSA-N 0 3 417.561 3.326 20 0 HGADHN Cc1c(Cl)nc(CC(C)C)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763940 721235397 /nfs/dbraw/zinc/23/53/97/721235397.db2.gz OHBMFIUUECDXRR-ROUUACIJSA-N 0 3 402.974 3.329 20 0 HGADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164896894 721510512 /nfs/dbraw/zinc/51/05/12/721510512.db2.gz CAXBLMZKZXVFDN-GXTWGEPZSA-N 0 3 405.836 3.231 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CSC5)CCN3C2)c1 ZINC001164901623 721524834 /nfs/dbraw/zinc/52/48/34/721524834.db2.gz XTMLLXBEJAVHFX-HIFRSBDPSA-N 0 3 406.914 3.358 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)c5c4CCCC5)CCN3C2)c1 ZINC001164903484 721530523 /nfs/dbraw/zinc/53/05/23/721530523.db2.gz CZPYLHOLKLCNHH-NVXWUHKLSA-N 0 3 402.901 3.490 20 0 HGADHN COC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164906363 721531819 /nfs/dbraw/zinc/53/18/19/721531819.db2.gz KDDJYQZDBFGJLH-HOCLYGCPSA-N 0 3 405.857 3.003 20 0 HGADHN COC(OC)c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909727 721548008 /nfs/dbraw/zinc/54/80/08/721548008.db2.gz RRSGMUHIOBEANX-PKOBYXMFSA-N 0 3 401.482 3.162 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CCN3C2)c1 ZINC001164903523 721557394 /nfs/dbraw/zinc/55/73/94/721557394.db2.gz BZMQVKNGENSJJA-ICSRJNTNSA-N 0 3 409.440 3.159 20 0 HGADHN CN(C)c1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905776 721583968 /nfs/dbraw/zinc/58/39/68/721583968.db2.gz WYWIVUKLVMITLB-LJQANCHMSA-N 0 3 422.911 3.329 20 0 HGADHN COc1cc(OC)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164904381 721704334 /nfs/dbraw/zinc/70/43/34/721704334.db2.gz CYQJCZCDGDYFAY-HXUWFJFHSA-N 0 3 404.461 3.232 20 0 HGADHN CCN(CC)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164906796 721715949 /nfs/dbraw/zinc/71/59/49/721715949.db2.gz OJICIGFZRDLAAH-OAQYLSRUSA-N 0 3 416.520 3.456 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001164927669 721899156 /nfs/dbraw/zinc/89/91/56/721899156.db2.gz KHFXTRRTJARHMP-DEOSSOPVSA-N 0 3 401.514 3.279 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@@H]12 ZINC001164943753 721967927 /nfs/dbraw/zinc/96/79/27/721967927.db2.gz GFRCETMAQLSHSN-NOZRDPDXSA-N 0 3 404.558 3.446 20 0 HGADHN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977249 722101748 /nfs/dbraw/zinc/10/17/48/722101748.db2.gz FKEPTOAWBBMNOF-IAGOWNOFSA-N 0 3 423.895 3.106 20 0 HGADHN FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982077 722108731 /nfs/dbraw/zinc/10/87/31/722108731.db2.gz VVPZVEQZUOYGIM-SJORKVTESA-N 0 3 424.879 3.282 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164974954 722109687 /nfs/dbraw/zinc/10/96/87/722109687.db2.gz JEDBUHGQVQZAGQ-DLBZAZTESA-N 0 3 423.895 3.106 20 0 HGADHN CCc1cc2c(ncnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977400 722115302 /nfs/dbraw/zinc/11/53/02/722115302.db2.gz NASISJQHKTZNKT-PXNSSMCTSA-N 0 3 409.559 3.376 20 0 HGADHN CC(C)(C)OC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980511 722117796 /nfs/dbraw/zinc/11/77/96/722117796.db2.gz RNENCRWYTDYVPZ-SFTDATJTSA-N 0 3 424.545 3.159 20 0 HGADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975159 722138146 /nfs/dbraw/zinc/13/81/46/722138146.db2.gz DXOMFUUHWKYPQT-GGAORHGYSA-N 0 3 401.514 3.266 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)nn1 ZINC001164979696 722142875 /nfs/dbraw/zinc/14/28/75/722142875.db2.gz LTJUJBGYAWGQLX-AEFFLSMTSA-N 0 3 423.895 3.106 20 0 HGADHN COc1cccc2c1ccnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972819 722146790 /nfs/dbraw/zinc/14/67/90/722146790.db2.gz ARYLSBFNYSQPFK-XXBNENTESA-N 0 3 404.514 3.366 20 0 HGADHN Cc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)o1 ZINC001164974399 722147781 /nfs/dbraw/zinc/14/77/81/722147781.db2.gz DRMFDXAFNSDCAI-DENIHFKCSA-N 0 3 405.502 3.167 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@H]3C2)c1 ZINC001164975269 722151595 /nfs/dbraw/zinc/15/15/95/722151595.db2.gz QRLIEBRMWFLKFT-JTHBVZDNSA-N 0 3 408.546 3.273 20 0 HGADHN OC[C@H](Cc1ccc(F)cc1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000500245788 1126095246 /nfs/dbraw/zinc/09/52/46/1126095246.db2.gz OJYRBLNYBXDPBA-SFHVURJKSA-N 0 3 404.283 3.467 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2cc(C)c(Br)cn2)cc1OC ZINC001203581584 1126159065 /nfs/dbraw/zinc/15/90/65/1126159065.db2.gz PSHCJXLSMDUMOR-IBGZPJMESA-N 0 3 409.324 3.253 20 0 HGADHN Cc1cccc2nc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)cn21 ZINC001307928327 1126162009 /nfs/dbraw/zinc/16/20/09/1126162009.db2.gz KZNPKGXNZNYRNE-HXUWFJFHSA-N 0 3 400.320 3.415 20 0 HGADHN COC(=O)c1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(C)o1 ZINC001307929378 1126162093 /nfs/dbraw/zinc/16/20/93/1126162093.db2.gz UOKSORDWLMAVOH-LJQANCHMSA-N 0 3 408.292 3.147 20 0 HGADHN COc1ccc(-c2noc(CCC(=O)NCCCN3CCc4ccccc4C3)n2)cc1 ZINC000004933289 559210942 /nfs/dbraw/zinc/21/09/42/559210942.db2.gz DVBJIPXNBFTKDM-UHFFFAOYSA-N 0 3 420.513 3.242 20 0 HGADHN COCCn1cc([C@H]2[C@H](CNCc3cc(C)ccc3F)CC(=O)N2C(C)(C)C)cn1 ZINC000328602516 569416625 /nfs/dbraw/zinc/41/66/25/569416625.db2.gz BWUSLGITZLVKNH-PGRDOPGGSA-N 0 3 416.541 3.455 20 0 HGADHN CN1C(=O)C[C@@H](CN[C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328608422 569419430 /nfs/dbraw/zinc/41/94/30/569419430.db2.gz YYMXNLOPWBDAGK-WWPVKYPJSA-N 0 3 417.513 3.317 20 0 HGADHN CN1C(=O)C[C@@H](CN[C@H](C(N)=O)c2ccccc2)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328608418 569419458 /nfs/dbraw/zinc/41/94/58/569419458.db2.gz YYMXNLOPWBDAGK-AJSBUHFISA-N 0 3 417.513 3.317 20 0 HGADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccc(C(C)C)cc2)nnc1Cl ZINC001164630281 719138384 /nfs/dbraw/zinc/13/83/84/719138384.db2.gz IIWWDFMGFUUKHG-QGZVFWFLSA-N 0 3 424.879 3.417 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(CN3CCCC3)cn2)cs1 ZINC001164816280 720258164 /nfs/dbraw/zinc/25/81/64/720258164.db2.gz HIPKJRDRIYLJBM-VQTJNVASSA-N 0 3 411.575 3.212 20 0 HGADHN CCOC(=O)c1ccc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725353 720384910 /nfs/dbraw/zinc/38/49/10/720384910.db2.gz MTGQAMCJLNXUQJ-SFTDATJTSA-N 0 3 403.486 3.055 20 0 HGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1)C1CC1 ZINC001164731535 720429521 /nfs/dbraw/zinc/42/95/21/720429521.db2.gz LQDXAKXIKMEAKY-BDTNDASRSA-N 0 3 406.530 3.387 20 0 HGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1)C1CC1 ZINC001164731537 720430380 /nfs/dbraw/zinc/43/03/80/720430380.db2.gz LQDXAKXIKMEAKY-FDFHNCONSA-N 0 3 406.530 3.387 20 0 HGADHN Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731658 720467123 /nfs/dbraw/zinc/46/71/23/720467123.db2.gz XGFJKJOPVVWBRA-SFTDATJTSA-N 0 3 414.513 3.286 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@H]3[C@@H](CCN3c3ccc(CN4CCCC4)cn3)O2)nc1 ZINC001164848926 720777592 /nfs/dbraw/zinc/77/75/92/720777592.db2.gz RAHWSRUNZKGRSI-RJGXRXQPSA-N 0 3 408.546 3.416 20 0 HGADHN CN(Cc1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1)C1CC1 ZINC001164845174 720778039 /nfs/dbraw/zinc/77/80/39/720778039.db2.gz FIZPNCGBGJYNCC-ZLNRFVROSA-N 0 3 408.546 3.414 20 0 HGADHN CCOC(=O)c1cc2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)[nH]c-2n1 ZINC001164862794 720984547 /nfs/dbraw/zinc/98/45/47/720984547.db2.gz UQPASAWZQCRPFX-OAHLLOKOSA-N 0 3 410.522 3.358 20 0 HGADHN c1ccc(CO[C@H]2CO[C@]3(C2)CCCN(c2ncccc2CN2CCCC2)C3)nc1 ZINC001164762309 721031827 /nfs/dbraw/zinc/03/18/27/721031827.db2.gz HNWDODDDOXOJIK-VWNXMTODSA-N 0 3 408.546 3.417 20 0 HGADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869561 721057234 /nfs/dbraw/zinc/05/72/34/721057234.db2.gz UHWCUCKUBBDTHD-MOPGFXCFSA-N 0 3 422.920 3.067 20 0 HGADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865752 721078901 /nfs/dbraw/zinc/07/89/01/721078901.db2.gz PGTZQVGAKSXWRZ-HZPDHXFCSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866631 721118869 /nfs/dbraw/zinc/11/88/69/721118869.db2.gz UHQLXNZVJXZOKX-QZTJIDSGSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164880442 721137845 /nfs/dbraw/zinc/13/78/45/721137845.db2.gz WRVPPKWPIFZYTK-FCHUYYIVSA-N 0 3 401.514 3.327 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)C[C@H]3C2)cn1 ZINC001164774137 721149319 /nfs/dbraw/zinc/14/93/19/721149319.db2.gz ZVHCAJQUQYXCQS-AZUAARDMSA-N 0 3 414.985 3.023 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@@H]3C2)cn1 ZINC001164762039 721190528 /nfs/dbraw/zinc/19/05/28/721190528.db2.gz CCTAQZYGCRCHOB-KGLIPLIRSA-N 0 3 418.332 3.023 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc5nc(Cl)cnc5cc4F)C[C@@H]3C2)cn1 ZINC001164768505 721214077 /nfs/dbraw/zinc/21/40/77/721214077.db2.gz LFCDNGSEJVJQBN-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN CCOc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164770102 721216829 /nfs/dbraw/zinc/21/68/29/721216829.db2.gz NBCPWSSIWJCMJX-RTWAWAEBSA-N 0 3 418.545 3.234 20 0 HGADHN CSc1nc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164909327 721545059 /nfs/dbraw/zinc/54/50/59/721545059.db2.gz RLAYZLUSALVLOV-UKRRQHHQSA-N 0 3 417.535 3.289 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164910449 721562937 /nfs/dbraw/zinc/56/29/37/721562937.db2.gz WZIMIDPETLMIQL-QUCCMNQESA-N 0 3 421.476 3.490 20 0 HGADHN CC[C@H]1C(=O)N(C)c2cnc(N3CCN(C4CCCC4)CC3)nc2N1C1CCCC1 ZINC001165027974 721856252 /nfs/dbraw/zinc/85/62/52/721856252.db2.gz FLHXAWMFOQTNMZ-IBGZPJMESA-N 0 3 412.582 3.045 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001164942925 721967299 /nfs/dbraw/zinc/96/72/99/721967299.db2.gz DNBFGGPGASOILN-UKILVPOCSA-N 0 3 404.558 3.446 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]12 ZINC001164947817 721967631 /nfs/dbraw/zinc/96/76/31/721967631.db2.gz RNIUQHIOUGNEQR-NOZRDPDXSA-N 0 3 404.558 3.445 20 0 HGADHN Cc1cncc(COCc2cnc3n2CCN(c2cc(CN(C)C)ccn2)[C@H]3C)c1 ZINC001164962802 722063535 /nfs/dbraw/zinc/06/35/35/722063535.db2.gz ADTFJVIMQBLQNP-SFHVURJKSA-N 0 3 406.534 3.341 20 0 HGADHN Cc1nc2ccc(F)cc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984671 722107991 /nfs/dbraw/zinc/10/79/91/722107991.db2.gz TWXHELHCSBGPOQ-GCJKJVERSA-N 0 3 407.493 3.200 20 0 HGADHN FC(F)(Oc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982065 722108599 /nfs/dbraw/zinc/10/85/99/722108599.db2.gz VVPZVEQZUOYGIM-DLBZAZTESA-N 0 3 424.879 3.282 20 0 HGADHN Clc1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc12 ZINC001164982020 722110164 /nfs/dbraw/zinc/11/01/64/722110164.db2.gz VSWBZNYTRFFBLZ-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164975663 722110727 /nfs/dbraw/zinc/11/07/27/722110727.db2.gz KEQIMXURVIJJDY-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN CCc1cc2c(ncnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977398 722115288 /nfs/dbraw/zinc/11/52/88/722115288.db2.gz NASISJQHKTZNKT-FXAWDEMLSA-N 0 3 409.559 3.376 20 0 HGADHN Clc1ccc2c(cnnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981165 722121629 /nfs/dbraw/zinc/12/16/29/722121629.db2.gz TZMGALLBHGFTCJ-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164976398 722123909 /nfs/dbraw/zinc/12/39/09/722123909.db2.gz LNTWVRFKXNLGLE-GHTZIAJQSA-N 0 3 414.513 3.233 20 0 HGADHN Fc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164976120 722145576 /nfs/dbraw/zinc/14/55/76/722145576.db2.gz HGYTXDWOHLMPFG-NFBKMPQASA-N 0 3 419.504 3.405 20 0 HGADHN c1ccc(Cc2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985053 722147371 /nfs/dbraw/zinc/14/73/71/722147371.db2.gz ZATCDMUFLIUBBL-DHIUTWEWSA-N 0 3 415.541 3.190 20 0 HGADHN c1cc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cs1 ZINC001164976198 722152274 /nfs/dbraw/zinc/15/22/74/722152274.db2.gz UWJGXGLYAVDELH-WIYYLYMNSA-N 0 3 407.543 3.327 20 0 HGADHN CN(Cc1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1)C1CC1 ZINC001164996873 722220276 /nfs/dbraw/zinc/22/02/76/722220276.db2.gz BFRVDTUTVFGLKN-DEOSSOPVSA-N 0 3 420.513 3.038 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(-c3ccccc3F)s2)[C@H](O)C1 ZINC001179402354 1126152268 /nfs/dbraw/zinc/15/22/68/1126152268.db2.gz SGXFILKTHZUUSJ-DLBZAZTESA-N 0 3 407.511 3.409 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(-c3ccccc3F)s2)[C@@H](O)C1 ZINC001179402357 1126152278 /nfs/dbraw/zinc/15/22/78/1126152278.db2.gz SGXFILKTHZUUSJ-SJORKVTESA-N 0 3 407.511 3.409 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)CC1 ZINC001164616306 719027555 /nfs/dbraw/zinc/02/75/55/719027555.db2.gz AAGLDDWKCDWNRX-UHFFFAOYSA-N 0 3 416.900 3.106 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3ccnc(Cl)c3)CC2)CC1 ZINC001164617476 719034432 /nfs/dbraw/zinc/03/44/32/719034432.db2.gz KWHWNFVPHWNMQB-UHFFFAOYSA-N 0 3 417.884 3.404 20 0 HGADHN CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164728392 720329959 /nfs/dbraw/zinc/32/99/59/720329959.db2.gz VLLHWSNPOQLXGW-IRXDYDNUSA-N 0 3 423.542 3.425 20 0 HGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729817 720341762 /nfs/dbraw/zinc/34/17/62/720341762.db2.gz YIRQRCWYTQYXOM-GOTSBHOMSA-N 0 3 413.525 3.260 20 0 HGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)C1 ZINC001164731479 720435787 /nfs/dbraw/zinc/43/57/87/720435787.db2.gz KWNMNGMOPYWHMW-BVYCBKJFSA-N 0 3 405.546 3.202 20 0 HGADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734743 720441972 /nfs/dbraw/zinc/44/19/72/720441972.db2.gz TZXBXDOVVJNCPI-RTWAWAEBSA-N 0 3 415.497 3.163 20 0 HGADHN c1cn(C2CCCC2)c2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164728857 720568351 /nfs/dbraw/zinc/56/83/51/720568351.db2.gz NYGZSQIYDPGCTR-UHFFFAOYSA-N 0 3 405.550 3.401 20 0 HGADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742031 720681001 /nfs/dbraw/zinc/68/10/01/720681001.db2.gz VLTQBIZZYKXHFY-OLZOCXBDSA-N 0 3 417.300 3.069 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164738504 720757043 /nfs/dbraw/zinc/75/70/43/720757043.db2.gz FVDMPTPZSDMJMA-JKSUJKDBSA-N 0 3 422.558 3.010 20 0 HGADHN O=C(c1cccnc1)N1CCC2(CCN(c3ncccc3CN3CCCC3)C2)CC1 ZINC001164861868 720894983 /nfs/dbraw/zinc/89/49/83/720894983.db2.gz ZCQCTJSLAYUGAG-UHFFFAOYSA-N 0 3 405.546 3.205 20 0 HGADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868736 721055527 /nfs/dbraw/zinc/05/55/27/721055527.db2.gz QEIAVNRWQBHIAY-SJORKVTESA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766616 721086914 /nfs/dbraw/zinc/08/69/14/721086914.db2.gz KYSNERGQJCIDDL-MOPGFXCFSA-N 0 3 408.937 3.489 20 0 HGADHN CCc1c(Cl)nnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1CC ZINC001164865763 721091594 /nfs/dbraw/zinc/09/15/94/721091594.db2.gz PHDKRSVTTQTSCM-IAGOWNOFSA-N 0 3 401.942 3.130 20 0 HGADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867736 721092154 /nfs/dbraw/zinc/09/21/54/721092154.db2.gz ZUITZFORKIZSNK-MSOLQXFVSA-N 0 3 409.921 3.466 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)Nc5ccccc5)ccn4)C[C@H]3C2)cn1 ZINC001164773675 721138152 /nfs/dbraw/zinc/13/81/52/721138152.db2.gz YQDJBKALVQWTLY-LEWJYISDSA-N 0 3 416.529 3.026 20 0 HGADHN Cc1nc2c3ccccc3oc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771380 721163264 /nfs/dbraw/zinc/16/32/64/721163264.db2.gz SLQNHJRHBIMIBU-ROUUACIJSA-N 0 3 402.502 3.376 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccccc5Cl)nn4)C[C@H]3C2)cn1 ZINC001164768527 721165301 /nfs/dbraw/zinc/16/53/01/721165301.db2.gz LHGRLKZCVHNGDI-QZTJIDSGSA-N 0 3 408.937 3.489 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876479 721181337 /nfs/dbraw/zinc/18/13/37/721181337.db2.gz MRWODYFUMIPJRW-UXHICEINSA-N 0 3 419.504 3.466 20 0 HGADHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164875428 721184266 /nfs/dbraw/zinc/18/42/66/721184266.db2.gz LPLVJUBERYDGGC-PMACEKPBSA-N 0 3 419.504 3.466 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(NC(=O)OC(C)(C)C)cn4)C[C@@H]3C2)cn1 ZINC001164764167 721188635 /nfs/dbraw/zinc/18/86/35/721188635.db2.gz GKIBLLILJOKEKK-MSOLQXFVSA-N 0 3 412.538 3.120 20 0 HGADHN Fc1ccc2c(Cl)ncnc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868051 721190948 /nfs/dbraw/zinc/19/09/48/721190948.db2.gz JQZVOHAFZIBLBN-HOTGVXAUSA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(Cl)c5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164763275 721224664 /nfs/dbraw/zinc/22/46/64/721224664.db2.gz FDNVRLLJPMMGQE-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN CCN(c1ccccc1)c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164772425 721224826 /nfs/dbraw/zinc/22/48/26/721224826.db2.gz UQENTQXFFXXRGY-SFTDATJTSA-N 0 3 417.561 3.326 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164769862 721238975 /nfs/dbraw/zinc/23/89/75/721238975.db2.gz ZWFPFABCCCHRLV-VQTJNVASSA-N 0 3 420.586 3.461 20 0 HGADHN COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164884087 721421973 /nfs/dbraw/zinc/42/19/73/721421973.db2.gz DAPYKUWZXSYGOC-PXDATVDWSA-N 0 3 424.589 3.317 20 0 HGADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901709 721510099 /nfs/dbraw/zinc/51/00/99/721510099.db2.gz YDTBOJGHHCMLOC-GOEBONIOSA-N 0 3 405.857 3.003 20 0 HGADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901685 721524678 /nfs/dbraw/zinc/52/46/78/721524678.db2.gz XYJNBCYZAIHITI-GOEBONIOSA-N 0 3 418.900 3.376 20 0 HGADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c(OC)c1 ZINC001164903452 721538227 /nfs/dbraw/zinc/53/82/27/721538227.db2.gz CRPOTYRRGPBHER-APWZRJJASA-N 0 3 424.476 3.128 20 0 HGADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902670 721541374 /nfs/dbraw/zinc/54/13/74/721541374.db2.gz AWMJRDQWTQMBSY-QUCCMNQESA-N 0 3 421.476 3.028 20 0 HGADHN CSc1nc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164909326 721545554 /nfs/dbraw/zinc/54/55/54/721545554.db2.gz RLAYZLUSALVLOV-HIFRSBDPSA-N 0 3 417.535 3.289 20 0 HGADHN COC(=O)c1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906186 721584571 /nfs/dbraw/zinc/58/45/71/721584571.db2.gz LXSYBBQAXTUTBT-FQEVSTJZSA-N 0 3 402.445 3.001 20 0 HGADHN Cc1noc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913843 721732434 /nfs/dbraw/zinc/73/24/34/721732434.db2.gz YWRREVMKWRDXOL-IBGZPJMESA-N 0 3 400.433 3.059 20 0 HGADHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1n[nH]c(Cl)c3ncnc1-3)C2 ZINC001164909538 721757565 /nfs/dbraw/zinc/75/75/65/721757565.db2.gz HHZANQLZSROBDF-UHFFFAOYSA-N 0 3 409.881 3.189 20 0 HGADHN F[C@H](Oc1ccnc(Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964867 722054505 /nfs/dbraw/zinc/05/45/05/722054505.db2.gz YUYZJTMJYHNQJE-FQEVSTJZSA-N 0 3 420.916 3.377 20 0 HGADHN CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164964850 722066985 /nfs/dbraw/zinc/06/69/85/722066985.db2.gz DCFUHLOGWIHPNL-UHFFFAOYSA-N 0 3 413.591 3.125 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]21 ZINC001164985847 722098102 /nfs/dbraw/zinc/09/81/02/722098102.db2.gz XFFVRTQIIRDTCB-FUPPJEDESA-N 0 3 405.546 3.222 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164975002 722109795 /nfs/dbraw/zinc/10/97/95/722109795.db2.gz JEDBUHGQVQZAGQ-SJORKVTESA-N 0 3 423.895 3.106 20 0 HGADHN COc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164971937 722109818 /nfs/dbraw/zinc/10/98/18/722109818.db2.gz DUHCXFKFPVORPT-REWPJTCUSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ccnc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977287 722125656 /nfs/dbraw/zinc/12/56/56/722125656.db2.gz MMTIRQRAWBTOFV-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccnc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977291 722125815 /nfs/dbraw/zinc/12/58/15/722125815.db2.gz MMTIRQRAWBTOFV-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN c1csc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164983334 722144762 /nfs/dbraw/zinc/14/47/62/722144762.db2.gz UGSLUEZKVLDYQW-UYAOXDASSA-N 0 3 407.543 3.327 20 0 HGADHN Fc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164977042 722147905 /nfs/dbraw/zinc/14/79/05/722147905.db2.gz IAVBYYPFEVVSOE-XXBNENTESA-N 0 3 419.504 3.405 20 0 HGADHN COc1cc(C)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977124 722158779 /nfs/dbraw/zinc/15/87/79/722158779.db2.gz XGNKTHHMCOIOAQ-DENIHFKCSA-N 0 3 419.529 3.069 20 0 HGADHN COC(=O)c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1 ZINC000560255390 1126097186 /nfs/dbraw/zinc/09/71/86/1126097186.db2.gz QAEUPIXDARAEAL-INIZCTEOSA-N 0 3 417.303 3.410 20 0 HGADHN COC(=O)c1oc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1C ZINC001182883479 1126153131 /nfs/dbraw/zinc/15/31/31/1126153131.db2.gz YYHYTEOHKPFCCE-IBGZPJMESA-N 0 3 408.292 3.147 20 0 HGADHN COC(=O)c1oc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cc1C ZINC001182883480 1126153160 /nfs/dbraw/zinc/15/31/60/1126153160.db2.gz YYHYTEOHKPFCCE-LJQANCHMSA-N 0 3 408.292 3.147 20 0 HGADHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC001308116599 1126163232 /nfs/dbraw/zinc/16/32/32/1126163232.db2.gz AWQFLPJPABTFBH-QHCPKHFHSA-N 0 3 423.469 3.182 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2nc3cc(Cl)ccc3n2C)cc1OC ZINC001308116952 1126163378 /nfs/dbraw/zinc/16/33/78/1126163378.db2.gz LPGFZEDTBYZYHJ-NRFANRHFSA-N 0 3 403.910 3.327 20 0 HGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729816 720342804 /nfs/dbraw/zinc/34/28/04/720342804.db2.gz YIRQRCWYTQYXOM-DHIUTWEWSA-N 0 3 413.525 3.260 20 0 HGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727058 720386046 /nfs/dbraw/zinc/38/60/46/720386046.db2.gz QFEAVNREQVDLBY-OALUTQOASA-N 0 3 423.904 3.318 20 0 HGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727053 720387071 /nfs/dbraw/zinc/38/70/71/720387071.db2.gz QFEAVNREQVDLBY-MOPGFXCFSA-N 0 3 423.904 3.318 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ncccc3CN3CCCC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164825840 720392734 /nfs/dbraw/zinc/39/27/34/720392734.db2.gz VOYUEXYVOPIHSS-HBMCJLEFSA-N 0 3 414.575 3.395 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@H]3[C@H](CCN3c3ccc(CN4CCCC4)cn3)O2)nc1 ZINC001164848927 720776786 /nfs/dbraw/zinc/77/67/86/720776786.db2.gz RAHWSRUNZKGRSI-VABKMULXSA-N 0 3 408.546 3.416 20 0 HGADHN c1ccc(Oc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164868032 721061259 /nfs/dbraw/zinc/06/12/59/721061259.db2.gz MHLZAHIMDDBYOI-FPOVZHCZSA-N 0 3 403.486 3.144 20 0 HGADHN Cc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866574 721072654 /nfs/dbraw/zinc/07/26/54/721072654.db2.gz FRKOQZOTJDTGIV-MSOLQXFVSA-N 0 3 409.921 3.466 20 0 HGADHN CCc1cc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)[nH]1 ZINC001164879096 721129863 /nfs/dbraw/zinc/12/98/63/721129863.db2.gz RTDVVZMHQUHGQY-IRXDYDNUSA-N 0 3 412.925 3.048 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(-c5cccc(Cl)n5)n4)C[C@@H]3C2)cn1 ZINC001164770588 721136287 /nfs/dbraw/zinc/13/62/87/721136287.db2.gz RBYZKEKVQINFTO-MSOLQXFVSA-N 0 3 408.937 3.489 20 0 HGADHN COc1ccccc1-c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881077 721153775 /nfs/dbraw/zinc/15/37/75/721153775.db2.gz YXFYNYPYFZPIMK-PMACEKPBSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878987 721168830 /nfs/dbraw/zinc/16/88/30/721168830.db2.gz RDHUHKQGKVBLLR-SJORKVTESA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164768706 721173629 /nfs/dbraw/zinc/17/36/29/721173629.db2.gz LOQYPSZFKIPFES-YADHBBJMSA-N 0 3 403.530 3.352 20 0 HGADHN Fc1ccc(-c2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870990 721182389 /nfs/dbraw/zinc/18/23/89/721182389.db2.gz CUDORWMUDRJPMW-RTWAWAEBSA-N 0 3 405.477 3.157 20 0 HGADHN Fc1ccc2c(Cl)ncnc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868053 721190803 /nfs/dbraw/zinc/19/08/03/721190803.db2.gz JQZVOHAFZIBLBN-JKSUJKDBSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164774443 721194201 /nfs/dbraw/zinc/19/42/01/721194201.db2.gz ZEUQAYBXZCTTAR-SJORKVTESA-N 0 3 402.974 3.428 20 0 HGADHN CN(Cc1ccc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1)C1CC1 ZINC001164873988 721329140 /nfs/dbraw/zinc/32/91/40/721329140.db2.gz FJEJVPRILVXDEJ-UHFFFAOYSA-N 0 3 411.575 3.265 20 0 HGADHN COc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc2ccccc21 ZINC001164894418 721425665 /nfs/dbraw/zinc/42/56/65/721425665.db2.gz MLCHYDLLFWWIIH-NTKDMRAZSA-N 0 3 410.562 3.009 20 0 HGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901054 721508865 /nfs/dbraw/zinc/50/88/65/721508865.db2.gz WFPFUHCKFXFWDS-FUHWJXTLSA-N 0 3 419.884 3.393 20 0 HGADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164903453 721538470 /nfs/dbraw/zinc/53/84/70/721538470.db2.gz CRPOTYRRGPBHER-LPHOPBHVSA-N 0 3 424.476 3.128 20 0 HGADHN CCOC(=O)/C=C\c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907319 721543438 /nfs/dbraw/zinc/54/34/38/721543438.db2.gz MYCYVWHPCNUXGM-HDKDFSDTSA-N 0 3 411.477 3.139 20 0 HGADHN C[C@@H]1CCCN(c2cc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncn2)C1 ZINC001164910836 721560325 /nfs/dbraw/zinc/56/03/25/721560325.db2.gz XLHRHYQOFLERPI-QFUCXCTJSA-N 0 3 411.525 3.194 20 0 HGADHN COC(=O)c1cc(C)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907948 721584936 /nfs/dbraw/zinc/58/49/36/721584936.db2.gz XCNIMOSEOGRHRH-OAQYLSRUSA-N 0 3 416.472 3.309 20 0 HGADHN FC1(F)CCN(c2ncccc2CN2CCCC2)C[C@]12CCN(c1cnccn1)C2 ZINC001164918002 721803367 /nfs/dbraw/zinc/80/33/67/721803367.db2.gz YYGQLFICFIOQCE-OAQYLSRUSA-N 0 3 414.504 3.210 20 0 HGADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN(C2CCCC2)CC1 ZINC001165028479 721858040 /nfs/dbraw/zinc/85/80/40/721858040.db2.gz MTWXYUDMVKHWBW-UHFFFAOYSA-N 0 3 414.575 3.402 20 0 HGADHN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2cc(CN(C)C)ccn2)C3)n1 ZINC001164962722 722027318 /nfs/dbraw/zinc/02/73/18/722027318.db2.gz ROBZAFYRYYSJSJ-ISKFKSNPSA-N 0 3 410.562 3.439 20 0 HGADHN FC(F)(c1ccnc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958787 722052057 /nfs/dbraw/zinc/05/20/57/722052057.db2.gz GHLJQWAQTHSBDU-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN F[C@@H](Oc1ccc(Cl)nc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963806 722056311 /nfs/dbraw/zinc/05/63/11/722056311.db2.gz LVDBNIPCTHGLHW-HXUWFJFHSA-N 0 3 420.916 3.377 20 0 HGADHN Clc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc12 ZINC001164984272 722103872 /nfs/dbraw/zinc/10/38/72/722103872.db2.gz RUDFFNDYBAKUKF-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979916 722106917 /nfs/dbraw/zinc/10/69/17/722106917.db2.gz IIQFCPSQKZJBAM-OFNKIYASSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc12 ZINC001164982016 722110332 /nfs/dbraw/zinc/11/03/32/722110332.db2.gz VSWBZNYTRFFBLZ-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1cnc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164975637 722112813 /nfs/dbraw/zinc/11/28/13/722112813.db2.gz KDMRWLVWCUJOCF-QUCCMNQESA-N 0 3 409.921 3.406 20 0 HGADHN CC(C)(C)OC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980508 722117849 /nfs/dbraw/zinc/11/78/49/722117849.db2.gz RNENCRWYTDYVPZ-LEWJYISDSA-N 0 3 424.545 3.159 20 0 HGADHN CCOc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971427 722122122 /nfs/dbraw/zinc/12/21/22/722122122.db2.gz CKWSGGHOIYFLSD-CVDCTZTESA-N 0 3 419.529 3.151 20 0 HGADHN Clc1ccnc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc12 ZINC001164978371 722127667 /nfs/dbraw/zinc/12/76/67/722127667.db2.gz OMNLZPWNSWMVHC-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975161 722138120 /nfs/dbraw/zinc/13/81/20/722138120.db2.gz DXOMFUUHWKYPQT-JTHBVZDNSA-N 0 3 401.514 3.266 20 0 HGADHN Cc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1C ZINC001164972655 722152482 /nfs/dbraw/zinc/15/24/82/722152482.db2.gz IVMMVXOCEGGQHZ-NZQKXSOJSA-N 0 3 403.530 3.369 20 0 HGADHN O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164995510 722204058 /nfs/dbraw/zinc/20/40/58/722204058.db2.gz NXIRLRHPVPANQU-XMMPIXPASA-N 0 3 422.504 3.115 20 0 HGADHN COc1ccc(-c2cc(CN[C@](C)(CO)Cc3ccc(OC)c(OC)c3)on2)cc1 ZINC001198230045 1126155861 /nfs/dbraw/zinc/15/58/61/1126155861.db2.gz NRDLWUMNGCULAS-QHCPKHFHSA-N 0 3 412.486 3.451 20 0 HGADHN COc1ccc(-c2cc(CN[C@@](C)(CO)Cc3ccc(OC)c(OC)c3)on2)cc1 ZINC001198230044 1126155867 /nfs/dbraw/zinc/15/58/67/1126155867.db2.gz NRDLWUMNGCULAS-HSZRJFAPSA-N 0 3 412.486 3.451 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(C3CC3)nnc2Cl)c2c1CCNC2 ZINC001164680130 719640644 /nfs/dbraw/zinc/64/06/44/719640644.db2.gz PCFVTBFNRFLIFY-UHFFFAOYSA-N 0 3 410.900 3.287 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cc3cc(Cl)ncc3cc1OC)CC2 ZINC001164690341 719757773 /nfs/dbraw/zinc/75/77/73/719757773.db2.gz APNQKHIMKRHAGQ-UHFFFAOYSA-N 0 3 402.926 3.078 20 0 HGADHN O=C1COC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)CN1c1ccccc1 ZINC001164694139 719836345 /nfs/dbraw/zinc/83/63/45/719836345.db2.gz FLHAXIRRAZJUFJ-UHFFFAOYSA-N 0 3 406.530 3.080 20 0 HGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721717 720340286 /nfs/dbraw/zinc/34/02/86/720340286.db2.gz DBXPIXKMWKATFP-FGZHOGPDSA-N 0 3 405.546 3.392 20 0 HGADHN COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c1 ZINC001164735044 720457582 /nfs/dbraw/zinc/45/75/82/720457582.db2.gz VEMXZXBXEVZYMF-YADHBBJMSA-N 0 3 417.513 3.409 20 0 HGADHN Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731655 720466996 /nfs/dbraw/zinc/46/69/96/720466996.db2.gz XGFJKJOPVVWBRA-LEWJYISDSA-N 0 3 414.513 3.286 20 0 HGADHN COc1cccc2c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164743746 720608100 /nfs/dbraw/zinc/60/81/00/720608100.db2.gz QKMRAPJLWLSNOI-HUUCEWRRSA-N 0 3 411.893 3.029 20 0 HGADHN O=C(N[C@@H]1CCO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1ccccc1 ZINC001164855562 720903162 /nfs/dbraw/zinc/90/31/62/720903162.db2.gz INARAHWHEMCLLF-RCZVLFRGSA-N 0 3 420.557 3.235 20 0 HGADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164871528 721044565 /nfs/dbraw/zinc/04/45/65/721044565.db2.gz ZNHJQRMKZQDGPN-KBPBESRZSA-N 0 3 419.316 3.139 20 0 HGADHN CSc1nc2ccsc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164771728 721117792 /nfs/dbraw/zinc/11/77/92/721117792.db2.gz SSZWUZJCJPWYTM-HUUCEWRRSA-N 0 3 400.577 3.105 20 0 HGADHN Cc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866630 721119398 /nfs/dbraw/zinc/11/93/98/721119398.db2.gz UHQLXNZVJXZOKX-MSOLQXFVSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1nc2c3ccccc3oc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164771379 721162714 /nfs/dbraw/zinc/16/27/14/721162714.db2.gz SLQNHJRHBIMIBU-QZTJIDSGSA-N 0 3 402.502 3.376 20 0 HGADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164879050 721163683 /nfs/dbraw/zinc/16/36/83/721163683.db2.gz ROTJYRKVKMHVOY-MSOLQXFVSA-N 0 3 423.467 3.297 20 0 HGADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872536 721167049 /nfs/dbraw/zinc/16/70/49/721167049.db2.gz HJYLABLMZMHGHP-YADHBBJMSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)s1 ZINC001164873548 721173472 /nfs/dbraw/zinc/17/34/72/721173472.db2.gz IOYDERMBNDBGML-OALUTQOASA-N 0 3 422.558 3.092 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(NC(=O)OC(C)(C)C)cn4)C[C@@H]3C2)cn1 ZINC001164764172 721187649 /nfs/dbraw/zinc/18/76/49/721187649.db2.gz GKIBLLILJOKEKK-ROUUACIJSA-N 0 3 412.538 3.120 20 0 HGADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164774440 721193748 /nfs/dbraw/zinc/19/37/48/721193748.db2.gz ZEUQAYBXZCTTAR-IAGOWNOFSA-N 0 3 402.974 3.428 20 0 HGADHN CCc1nc2sc3c(c2c(N2C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C2)n1)CCC3 ZINC001164771828 721194407 /nfs/dbraw/zinc/19/44/07/721194407.db2.gz RBLDZVNIWIFQHO-IRXDYDNUSA-N 0 3 422.602 3.434 20 0 HGADHN CCc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164769552 721216014 /nfs/dbraw/zinc/21/60/14/721216014.db2.gz MSZMVIRSZKXETF-YADHBBJMSA-N 0 3 402.546 3.398 20 0 HGADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164896895 721510012 /nfs/dbraw/zinc/51/00/12/721510012.db2.gz CAXBLMZKZXVFDN-JSGCOSHPSA-N 0 3 405.836 3.231 20 0 HGADHN COC(=O)c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1Cl ZINC001164899598 721514341 /nfs/dbraw/zinc/51/43/41/721514341.db2.gz LGINNCUIZATLDO-GOEBONIOSA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1cc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901424 721520842 /nfs/dbraw/zinc/52/08/42/721520842.db2.gz XEWUYJGOTCXPSQ-DOTOQJQBSA-N 0 3 405.857 3.003 20 0 HGADHN COC(OC)c1cc(C)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909722 721547351 /nfs/dbraw/zinc/54/73/51/721547351.db2.gz RRSGMUHIOBEANX-HKUYNNGSSA-N 0 3 401.482 3.162 20 0 HGADHN CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164902205 721584418 /nfs/dbraw/zinc/58/44/18/721584418.db2.gz CVCXISNJNKNBOI-OAQYLSRUSA-N 0 3 416.472 3.391 20 0 HGADHN FC1(F)CCN(c2[nH+][n-]c(Cl)c3ncnc2-3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908091 721713073 /nfs/dbraw/zinc/71/30/73/721713073.db2.gz VOBLOVOIFPKAQX-SFHVURJKSA-N 0 3 419.867 3.139 20 0 HGADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCN(C3CCCC3)CC2)n1 ZINC001165032323 721858531 /nfs/dbraw/zinc/85/85/31/721858531.db2.gz QNFWMWSLMOMANV-ZRDIBKRKSA-N 0 3 414.550 3.317 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001164942924 721967375 /nfs/dbraw/zinc/96/73/75/721967375.db2.gz DNBFGGPGASOILN-NOZRDPDXSA-N 0 3 404.558 3.446 20 0 HGADHN F[C@@H](Oc1cccc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962485 722056250 /nfs/dbraw/zinc/05/62/50/722056250.db2.gz DVPYBTRSZWNKRI-HXUWFJFHSA-N 0 3 420.916 3.377 20 0 HGADHN CCOC(=O)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1C ZINC001164964023 722056948 /nfs/dbraw/zinc/05/69/48/722056948.db2.gz QXOLELXBOUFKLW-UHFFFAOYSA-N 0 3 424.545 3.081 20 0 HGADHN CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986633 722104135 /nfs/dbraw/zinc/10/41/35/722104135.db2.gz ZQRFUTZOTRQEHF-RTWAWAEBSA-N 0 3 424.545 3.159 20 0 HGADHN FC(F)(Oc1cccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986652 722107148 /nfs/dbraw/zinc/10/71/48/722107148.db2.gz ZYSVZHBNYWUGSX-WMZOPIPTSA-N 0 3 424.879 3.282 20 0 HGADHN Clc1ccc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2n1 ZINC001164979162 722122026 /nfs/dbraw/zinc/12/20/26/722122026.db2.gz PJXQEVRHFQIUAQ-AZUAARDMSA-N 0 3 409.921 3.406 20 0 HGADHN Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973140 722144507 /nfs/dbraw/zinc/14/45/07/722144507.db2.gz BAPRDOZEDRUVFW-RTBURBONSA-N 0 3 413.953 3.438 20 0 HGADHN Cc1nc(C2CC2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973133 722144670 /nfs/dbraw/zinc/14/46/70/722144670.db2.gz BAPRDOZEDRUVFW-OALUTQOASA-N 0 3 413.953 3.438 20 0 HGADHN CSc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164974789 722156145 /nfs/dbraw/zinc/15/61/45/722156145.db2.gz QLGJLMONQXNIRI-SJORKVTESA-N 0 3 417.604 3.043 20 0 HGADHN COC(=O)c1c[nH]c2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164997299 722202396 /nfs/dbraw/zinc/20/23/96/722202396.db2.gz YXBOQDUVAXHQPU-JOCHJYFZSA-N 0 3 409.465 3.129 20 0 HGADHN COC(=O)c1ccc(Cl)c(CN[C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC001308118966 1126164069 /nfs/dbraw/zinc/16/40/69/1126164069.db2.gz XCQTYGBPCXXZSB-NRFANRHFSA-N 0 3 407.894 3.227 20 0 HGADHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164429427 718954906 /nfs/dbraw/zinc/95/49/06/718954906.db2.gz PHVAQSRZUWOJGA-JOCHJYFZSA-N 0 3 422.573 3.145 20 0 HGADHN NC(=O)c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626579 719056100 /nfs/dbraw/zinc/05/61/00/719056100.db2.gz SFZDTRFCUXHOAL-WBVHZDCISA-N 0 3 420.891 3.480 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164690094 719738288 /nfs/dbraw/zinc/73/82/88/719738288.db2.gz SJUBZYWOGKQYSG-UHFFFAOYSA-N 0 3 401.599 3.252 20 0 HGADHN COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c2c1CNC2 ZINC001164712302 720079219 /nfs/dbraw/zinc/07/92/19/720079219.db2.gz OMDQBCHCCLHDIH-UHFFFAOYSA-N 0 3 424.574 3.101 20 0 HGADHN CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164728395 720329844 /nfs/dbraw/zinc/32/98/44/720329844.db2.gz VLLHWSNPOQLXGW-SJORKVTESA-N 0 3 423.542 3.425 20 0 HGADHN COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723745 720386965 /nfs/dbraw/zinc/38/69/65/720386965.db2.gz HDDFPGVWCFZPLG-UXHICEINSA-N 0 3 405.502 3.204 20 0 HGADHN c1ccc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726274 720429936 /nfs/dbraw/zinc/42/99/36/720429936.db2.gz BFVUUKOUTPOMJL-VXKWHMMOSA-N 0 3 400.530 3.478 20 0 HGADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164745076 720608164 /nfs/dbraw/zinc/60/81/64/720608164.db2.gz UHGKALSVHGOEKF-UONOGXRCSA-N 0 3 417.300 3.069 20 0 HGADHN CC(C)(C)c1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2s1 ZINC001164743213 720658507 /nfs/dbraw/zinc/65/85/07/720658507.db2.gz XBRONWLHIBIQOW-LSDHHAIUSA-N 0 3 410.547 3.121 20 0 HGADHN Cc1csc2c1nc(Cl)cc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737874 720734611 /nfs/dbraw/zinc/73/46/11/720734611.db2.gz DDLBAHAXKDIQAH-KGLIPLIRSA-N 0 3 401.923 3.390 20 0 HGADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164842575 720740583 /nfs/dbraw/zinc/74/05/83/720740583.db2.gz FYAHEPRDTKWCCO-UHFFFAOYSA-N 0 3 422.911 3.413 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@H]3[C@H](CCN3c3ncccc3CN3CCCC3)O2)nc1 ZINC001164843774 720779943 /nfs/dbraw/zinc/77/99/43/720779943.db2.gz AOXPWPKXCNVCRX-VABKMULXSA-N 0 3 408.546 3.416 20 0 HGADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869562 721057600 /nfs/dbraw/zinc/05/76/00/721057600.db2.gz UHWCUCKUBBDTHD-OALUTQOASA-N 0 3 422.920 3.067 20 0 HGADHN c1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868816 721066434 /nfs/dbraw/zinc/06/64/34/721066434.db2.gz QRKSRRTVAUPFAW-TZIWHRDSSA-N 0 3 403.486 3.144 20 0 HGADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867742 721091790 /nfs/dbraw/zinc/09/17/90/721091790.db2.gz ZUITZFORKIZSNK-ZWKOTPCHSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866632 721118012 /nfs/dbraw/zinc/11/80/12/721118012.db2.gz UHQLXNZVJXZOKX-ROUUACIJSA-N 0 3 409.921 3.466 20 0 HGADHN CCOC(=O)c1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc2ccccc21 ZINC001164769008 721124972 /nfs/dbraw/zinc/12/49/72/721124972.db2.gz OTYGXKRIBRHWFM-MOPGFXCFSA-N 0 3 419.529 3.103 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771345 721144534 /nfs/dbraw/zinc/14/45/34/721144534.db2.gz SGJFEEGYZVNDSB-RTBURBONSA-N 0 3 405.550 3.238 20 0 HGADHN COc1ccccc1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881080 721153835 /nfs/dbraw/zinc/15/38/35/721153835.db2.gz YXFYNYPYFZPIMK-VQTJNVASSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccc(-c2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164877018 721154612 /nfs/dbraw/zinc/15/46/12/721154612.db2.gz NWKJAFIURWEICN-IRLDBZIGSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccc(-c2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164877020 721154803 /nfs/dbraw/zinc/15/48/03/721154803.db2.gz NWKJAFIURWEICN-UNMCSNQZSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871074 721161085 /nfs/dbraw/zinc/16/10/85/721161085.db2.gz DHVWITMWQXVJGS-FPOVZHCZSA-N 0 3 421.476 3.283 20 0 HGADHN Cc1nc2c3ccccc3oc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771378 721161632 /nfs/dbraw/zinc/16/16/32/721161632.db2.gz SLQNHJRHBIMIBU-MSOLQXFVSA-N 0 3 402.502 3.376 20 0 HGADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)s1 ZINC001164873537 721173359 /nfs/dbraw/zinc/17/33/59/721173359.db2.gz IOYDERMBNDBGML-MOPGFXCFSA-N 0 3 422.558 3.092 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@@H]3C2)cn1 ZINC001164773854 721210343 /nfs/dbraw/zinc/21/03/43/721210343.db2.gz XMCHNJGYTSENCQ-MOPGFXCFSA-N 0 3 408.937 3.489 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164889252 721395074 /nfs/dbraw/zinc/39/50/74/721395074.db2.gz LHQGQPSLLBPNPS-URXFXBBRSA-N 0 3 410.562 3.009 20 0 HGADHN CNC(=O)N[C@@H]1CC2(CCN(c3cc(CN(C)C)ccn3)CC2)c2ccc(C)cc21 ZINC001164898754 721493072 /nfs/dbraw/zinc/49/30/72/721493072.db2.gz IELBWKCVJPEMJE-OAQYLSRUSA-N 0 3 407.562 3.364 20 0 HGADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCCC1 ZINC001164900668 721513337 /nfs/dbraw/zinc/51/33/37/721513337.db2.gz SRCOQDTZRRCSOX-CTNGQTDRSA-N 0 3 424.520 3.189 20 0 HGADHN COc1cc2ncc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2cc1OC ZINC001164905200 721531268 /nfs/dbraw/zinc/53/12/68/721531268.db2.gz GNPSHJCHAWJTJF-AEFFLSMTSA-N 0 3 424.476 3.128 20 0 HGADHN COC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164906361 721532401 /nfs/dbraw/zinc/53/24/01/721532401.db2.gz KDDJYQZDBFGJLH-GDBMZVCRSA-N 0 3 405.857 3.003 20 0 HGADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902668 721541773 /nfs/dbraw/zinc/54/17/73/721541773.db2.gz AWMJRDQWTQMBSY-AZUAARDMSA-N 0 3 421.476 3.028 20 0 HGADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902671 721541845 /nfs/dbraw/zinc/54/18/45/721541845.db2.gz AWMJRDQWTQMBSY-UYAOXDASSA-N 0 3 421.476 3.028 20 0 HGADHN CCOC(=O)/C=C/c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907328 721543610 /nfs/dbraw/zinc/54/36/10/721543610.db2.gz MYCYVWHPCNUXGM-PWIIPBGMSA-N 0 3 411.477 3.139 20 0 HGADHN COC(=O)/C=C\c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906908 721548017 /nfs/dbraw/zinc/54/80/17/721548017.db2.gz LTMREJWRDKQNLU-ABDUDLSGSA-N 0 3 411.477 3.057 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164903540 721560187 /nfs/dbraw/zinc/56/01/87/721560187.db2.gz CCYWJVDAFZZQBQ-CTNGQTDRSA-N 0 3 411.525 3.338 20 0 HGADHN COCc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164906983 721699985 /nfs/dbraw/zinc/69/99/85/721699985.db2.gz QBEDLBBUQTWCMC-HXUWFJFHSA-N 0 3 403.477 3.064 20 0 HGADHN COc1cc(OC)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164904380 721703834 /nfs/dbraw/zinc/70/38/34/721703834.db2.gz CYQJCZCDGDYFAY-FQEVSTJZSA-N 0 3 404.461 3.232 20 0 HGADHN COC(=O)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1C ZINC001164905480 721710644 /nfs/dbraw/zinc/71/06/44/721710644.db2.gz GTQWSTYBVHLELA-NRFANRHFSA-N 0 3 416.472 3.309 20 0 HGADHN CN1CCN(c2cccc(N3CC(c4ncn5cc(-c6ccoc6)ccc45)C3)n2)CC1 ZINC001165015618 721767241 /nfs/dbraw/zinc/76/72/41/721767241.db2.gz SQZFCRISNAXCPI-UHFFFAOYSA-N 0 3 414.513 3.345 20 0 HGADHN FC(F)(c1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981352 722098644 /nfs/dbraw/zinc/09/86/44/722098644.db2.gz LDPSFBSEVXSMBQ-WMZOPIPTSA-N 0 3 408.880 3.402 20 0 HGADHN Clc1ccnc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164971854 722113969 /nfs/dbraw/zinc/11/39/69/722113969.db2.gz CRRZQASFVTUBEB-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981531 722114736 /nfs/dbraw/zinc/11/47/36/722114736.db2.gz ULVPKFUMFIWVRM-MJGOQNOKSA-N 0 3 402.926 3.256 20 0 HGADHN Clc1ccnc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977296 722125737 /nfs/dbraw/zinc/12/57/37/722125737.db2.gz MMTIRQRAWBTOFV-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN CCCN(CCC)c1cncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983834 722131242 /nfs/dbraw/zinc/13/12/42/722131242.db2.gz VNEPVHRWHPIXTC-YADHBBJMSA-N 0 3 424.593 3.225 20 0 HGADHN COc1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974125 722134066 /nfs/dbraw/zinc/13/40/66/722134066.db2.gz CJLGOQXLUZOFCS-NFBKMPQASA-N 0 3 404.514 3.366 20 0 HGADHN CC(C)n1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978884 722136610 /nfs/dbraw/zinc/13/66/10/722136610.db2.gz KHWUULDLYNDEBK-PZJWPPBQSA-N 0 3 406.534 3.135 20 0 HGADHN CN1CCN(c2cccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164995941 722203579 /nfs/dbraw/zinc/20/35/79/722203579.db2.gz QEXBFAZPMFIGSE-DEOSSOPVSA-N 0 3 409.553 3.217 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2nc3cc(Cl)ccc3n2C)cc1OC ZINC001308116953 1126163305 /nfs/dbraw/zinc/16/33/05/1126163305.db2.gz LPGFZEDTBYZYHJ-OAQYLSRUSA-N 0 3 403.910 3.327 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2cc(OC)c(OC)cc2Cl)cc1OC ZINC001461737174 1126196946 /nfs/dbraw/zinc/19/69/46/1126196946.db2.gz URCFLAWTCFTPJP-OAQYLSRUSA-N 0 3 409.910 3.458 20 0 HGADHN Cn1nc(C(F)(F)F)cc1CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001560182427 1126208588 /nfs/dbraw/zinc/20/85/88/1126208588.db2.gz DKCLBTABKSOJNS-OAHLLOKOSA-N 0 3 406.246 3.285 20 0 HGADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164726644 720340817 /nfs/dbraw/zinc/34/08/17/720340817.db2.gz QTIUWCQPZBUDMP-UXHICEINSA-N 0 3 403.486 3.055 20 0 HGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729818 720342822 /nfs/dbraw/zinc/34/28/22/720342822.db2.gz YIRQRCWYTQYXOM-PKTZIBPZSA-N 0 3 413.525 3.260 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ncccc3CN3CCCC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825850 720392472 /nfs/dbraw/zinc/39/24/72/720392472.db2.gz VOYUEXYVOPIHSS-NJYVYQBISA-N 0 3 414.575 3.395 20 0 HGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164731312 720395561 /nfs/dbraw/zinc/39/55/61/720395561.db2.gz ZCBVOBMYAUTLJQ-MOPGFXCFSA-N 0 3 413.953 3.465 20 0 HGADHN COc1ccc(OC)c(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c1 ZINC001164735043 720457206 /nfs/dbraw/zinc/45/72/06/720457206.db2.gz VEMXZXBXEVZYMF-VXKWHMMOSA-N 0 3 417.513 3.409 20 0 HGADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742033 720683171 /nfs/dbraw/zinc/68/31/71/720683171.db2.gz VLTQBIZZYKXHFY-STQMWFEESA-N 0 3 417.300 3.069 20 0 HGADHN c1ccc(-c2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164739302 720689339 /nfs/dbraw/zinc/68/93/39/720689339.db2.gz MVZXXMKFDXWLKA-VQTJNVASSA-N 0 3 424.508 3.429 20 0 HGADHN CCOC(=O)c1cnc2cc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)[nH]cc1-2 ZINC001164856358 720996956 /nfs/dbraw/zinc/99/69/56/720996956.db2.gz BWFHWKBSEBWUMP-HNNXBMFYSA-N 0 3 410.522 3.358 20 0 HGADHN c1ccc(CO[C@@H]2CO[C@]3(C2)CCCN(c2ncccc2CN2CCCC2)C3)nc1 ZINC001164762308 721032111 /nfs/dbraw/zinc/03/21/11/721032111.db2.gz HNWDODDDOXOJIK-UPVQGACJSA-N 0 3 408.546 3.417 20 0 HGADHN Clc1nnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164866043 721065051 /nfs/dbraw/zinc/06/50/51/721065051.db2.gz BXOAOACGAZETRB-LSDHHAIUSA-N 0 3 401.923 3.219 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164771186 721083891 /nfs/dbraw/zinc/08/38/91/721083891.db2.gz ROEOECVOWDPORR-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867738 721091645 /nfs/dbraw/zinc/09/16/45/721091645.db2.gz ZUITZFORKIZSNK-QZTJIDSGSA-N 0 3 409.921 3.466 20 0 HGADHN CCc1c(Cl)nnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1CC ZINC001164865764 721093442 /nfs/dbraw/zinc/09/34/42/721093442.db2.gz PHDKRSVTTQTSCM-IRXDYDNUSA-N 0 3 401.942 3.130 20 0 HGADHN CCOC(=O)c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc2ccccc21 ZINC001164769011 721125080 /nfs/dbraw/zinc/12/50/80/721125080.db2.gz OTYGXKRIBRHWFM-OALUTQOASA-N 0 3 419.529 3.103 20 0 HGADHN COc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164874454 721148266 /nfs/dbraw/zinc/14/82/66/721148266.db2.gz KAVLYCLGXKQUAQ-UNMCSNQZSA-N 0 3 417.513 3.027 20 0 HGADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164875296 721160328 /nfs/dbraw/zinc/16/03/28/721160328.db2.gz KTQCVGRJUYTFEF-VQTJNVASSA-N 0 3 407.543 3.388 20 0 HGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164875291 721160428 /nfs/dbraw/zinc/16/04/28/721160428.db2.gz KTQCVGRJUYTFEF-PMACEKPBSA-N 0 3 407.543 3.388 20 0 HGADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164879057 721163543 /nfs/dbraw/zinc/16/35/43/721163543.db2.gz ROTJYRKVKMHVOY-ZWKOTPCHSA-N 0 3 423.467 3.297 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C[C@H]3C2)cn1 ZINC001164774422 721183083 /nfs/dbraw/zinc/18/30/83/721183083.db2.gz ZAWZSNFKYYRHDO-RBUKOAKNSA-N 0 3 421.549 3.121 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C[C@H]3C2)cn1 ZINC001164774424 721183885 /nfs/dbraw/zinc/18/38/85/721183885.db2.gz ZAWZSNFKYYRHDO-RTBURBONSA-N 0 3 421.549 3.121 20 0 HGADHN Fc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccsc1 ZINC001164870288 721184146 /nfs/dbraw/zinc/18/41/46/721184146.db2.gz CJBNUGFBCGWHPA-ROUUACIJSA-N 0 3 411.506 3.219 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@H]3C2)cn1 ZINC001164773856 721209672 /nfs/dbraw/zinc/20/96/72/721209672.db2.gz XMCHNJGYTSENCQ-RBUKOAKNSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164770884 721215972 /nfs/dbraw/zinc/21/59/72/721215972.db2.gz PALARRALXAMTLW-SFTDATJTSA-N 0 3 421.520 3.492 20 0 HGADHN CCc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164769545 721216206 /nfs/dbraw/zinc/21/62/06/721216206.db2.gz MSZMVIRSZKXETF-FCHUYYIVSA-N 0 3 402.546 3.398 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164766741 721230813 /nfs/dbraw/zinc/23/08/13/721230813.db2.gz VIGIBSHMTZSSDW-GJZGRUSLSA-N 0 3 416.451 3.398 20 0 HGADHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164775972 721327869 /nfs/dbraw/zinc/32/78/69/721327869.db2.gz BDBFHHNARGFCNO-IBGZPJMESA-N 0 3 412.509 3.418 20 0 HGADHN CCOc1ccnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777732 721349859 /nfs/dbraw/zinc/34/98/59/721349859.db2.gz HPQQSARCJACFNB-QFIPXVFZSA-N 0 3 400.523 3.204 20 0 HGADHN COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887129 721381206 /nfs/dbraw/zinc/38/12/06/721381206.db2.gz HAKMCMFAEIVXEN-WIOPSUGQSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2cnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc2c1 ZINC001164894937 721425002 /nfs/dbraw/zinc/42/50/02/721425002.db2.gz NOSRTIFNERBKRT-LADGPHEKSA-N 0 3 410.562 3.009 20 0 HGADHN Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncccc1CN1CCCC1)CC2 ZINC001164785917 721442394 /nfs/dbraw/zinc/44/23/94/721442394.db2.gz UIHLYWNVPDUXKA-QFIPXVFZSA-N 0 3 418.545 3.127 20 0 HGADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900259 721511070 /nfs/dbraw/zinc/51/10/70/721511070.db2.gz PGBGVPIUZUOMIM-GDBMZVCRSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)CCN3C2)c1 ZINC001164901348 721520627 /nfs/dbraw/zinc/52/06/27/721520627.db2.gz WPOSTCZNXGKJGG-WBVHZDCISA-N 0 3 402.901 3.490 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)c5c4CCCC5)CCN3C2)c1 ZINC001164903481 721530338 /nfs/dbraw/zinc/53/03/38/721530338.db2.gz CZPYLHOLKLCNHH-DOTOQJQBSA-N 0 3 402.901 3.490 20 0 HGADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904723 721535368 /nfs/dbraw/zinc/53/53/68/721535368.db2.gz GBYGUXCSQMWERI-QUCCMNQESA-N 0 3 412.509 3.091 20 0 HGADHN COC(=O)/C=C\c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906909 721547650 /nfs/dbraw/zinc/54/76/50/721547650.db2.gz LTMREJWRDKQNLU-RTVDBWQISA-N 0 3 411.477 3.057 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CCN3C2)c1 ZINC001164903522 721557649 /nfs/dbraw/zinc/55/76/49/721557649.db2.gz BZMQVKNGENSJJA-AZUAARDMSA-N 0 3 409.440 3.159 20 0 HGADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909706 721558390 /nfs/dbraw/zinc/55/83/90/721558390.db2.gz UPMBTXSAPYDAQD-CTNGQTDRSA-N 0 3 405.477 3.328 20 0 HGADHN CCN(CC)c1cncc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908546 721716376 /nfs/dbraw/zinc/71/63/76/721716376.db2.gz XSUXESGQJHXIIU-OAQYLSRUSA-N 0 3 416.520 3.456 20 0 HGADHN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)n1 ZINC001164919455 721811393 /nfs/dbraw/zinc/81/13/93/721811393.db2.gz XYCDJGKOWHXZOY-QKNQBKEWSA-N 0 3 414.575 3.335 20 0 HGADHN O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165032606 721861160 /nfs/dbraw/zinc/86/11/60/721861160.db2.gz SVFPZFRWGBKHMU-UHFFFAOYSA-N 0 3 422.501 3.225 20 0 HGADHN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1NC(C)C ZINC001164959435 722051952 /nfs/dbraw/zinc/05/19/52/722051952.db2.gz JGUVZNHBOUVZKO-UHFFFAOYSA-N 0 3 410.566 3.119 20 0 HGADHN CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986628 722104424 /nfs/dbraw/zinc/10/44/24/722104424.db2.gz ZQRFUTZOTRQEHF-LEWJYISDSA-N 0 3 424.545 3.159 20 0 HGADHN Clc1ccnc2c1ccnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975479 722104616 /nfs/dbraw/zinc/10/46/16/722104616.db2.gz BZHNETSATLJWKM-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN FC(F)(Oc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982073 722108907 /nfs/dbraw/zinc/10/89/07/722108907.db2.gz VVPZVEQZUOYGIM-IRXDYDNUSA-N 0 3 424.879 3.282 20 0 HGADHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164984644 722132169 /nfs/dbraw/zinc/13/21/69/722132169.db2.gz YEWRKXCHLXULCP-CVDCTZTESA-N 0 3 404.514 3.366 20 0 HGADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975160 722138259 /nfs/dbraw/zinc/13/82/59/722138259.db2.gz DXOMFUUHWKYPQT-GMAHTHKFSA-N 0 3 401.514 3.266 20 0 HGADHN Fc1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164984623 722145022 /nfs/dbraw/zinc/14/50/22/722145022.db2.gz XXBFVXASIFJYAM-NFBKMPQASA-N 0 3 419.504 3.405 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@@H]3C2)c1 ZINC001164974800 722151733 /nfs/dbraw/zinc/15/17/33/722151733.db2.gz QRLIEBRMWFLKFT-FYYLOGMGSA-N 0 3 408.546 3.273 20 0 HGADHN OC[C@@H](Cc1ccc(F)cc1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000500245787 1126095291 /nfs/dbraw/zinc/09/52/91/1126095291.db2.gz OJYRBLNYBXDPBA-GOSISDBHSA-N 0 3 404.283 3.467 20 0 HGADHN COC(=O)c1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001196105365 1126153516 /nfs/dbraw/zinc/15/35/16/1126153516.db2.gz VHIFQOOYQIQOTF-HXUWFJFHSA-N 0 3 422.294 3.384 20 0 HGADHN CCc1oc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)cc1C(=O)OC ZINC001206855665 1126159659 /nfs/dbraw/zinc/15/96/59/1126159659.db2.gz JGNNQWNQQACUFV-LJQANCHMSA-N 0 3 410.308 3.474 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2cn3ccc(Br)cc3n2)cc1 ZINC001474257555 1126203844 /nfs/dbraw/zinc/20/38/44/1126203844.db2.gz JNMRDMXMIDANST-IBGZPJMESA-N 0 3 404.308 3.189 20 0 HGADHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)c([O-])c(OC)c2)cc1 ZINC001560580133 1126213367 /nfs/dbraw/zinc/21/33/67/1126213367.db2.gz LJQRUOPVRJYPKE-LJQANCHMSA-N 0 3 410.308 3.255 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3cccc(Cl)n3)CC2)CC1 ZINC001164613846 719024473 /nfs/dbraw/zinc/02/44/73/719024473.db2.gz HKNWIFJDPJUFDN-UHFFFAOYSA-N 0 3 417.884 3.404 20 0 HGADHN CCOC(=O)c1ncnc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164625991 719093164 /nfs/dbraw/zinc/09/31/64/719093164.db2.gz HVOLGXXATQPDKE-SJORKVTESA-N 0 3 400.910 3.408 20 0 HGADHN Cc1cc(N2CCCC2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164698338 719886004 /nfs/dbraw/zinc/88/60/04/719886004.db2.gz FNELYCCWLXYUBM-UHFFFAOYSA-N 0 3 413.591 3.318 20 0 HGADHN COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c2c1CNC2 ZINC001164710934 720078894 /nfs/dbraw/zinc/07/88/94/720078894.db2.gz KRPIVJCEZUSUDV-UHFFFAOYSA-N 0 3 424.574 3.101 20 0 HGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721716 720340923 /nfs/dbraw/zinc/34/09/23/720340923.db2.gz DBXPIXKMWKATFP-FCHUYYIVSA-N 0 3 405.546 3.392 20 0 HGADHN COc1cc2nc(C)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723735 720386884 /nfs/dbraw/zinc/38/68/84/720386884.db2.gz HDDFPGVWCFZPLG-PMACEKPBSA-N 0 3 405.502 3.204 20 0 HGADHN Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731657 720465725 /nfs/dbraw/zinc/46/57/25/720465725.db2.gz XGFJKJOPVVWBRA-RTWAWAEBSA-N 0 3 414.513 3.286 20 0 HGADHN CN(C)Cc1ccnc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164729506 720496641 /nfs/dbraw/zinc/49/66/41/720496641.db2.gz RHXSYLSFJMGCFX-CVDCTZTESA-N 0 3 414.525 3.006 20 0 HGADHN CC(C)(C)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164737241 720756965 /nfs/dbraw/zinc/75/69/65/720756965.db2.gz BGXXWHTZJITIKF-SJORKVTESA-N 0 3 410.566 3.204 20 0 HGADHN Clc1nnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164866041 721064698 /nfs/dbraw/zinc/06/46/98/721064698.db2.gz BXOAOACGAZETRB-GJZGRUSLSA-N 0 3 401.923 3.219 20 0 HGADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866859 721072925 /nfs/dbraw/zinc/07/29/25/721072925.db2.gz GJLYGNGPUBMWPE-HOTGVXAUSA-N 0 3 413.884 3.297 20 0 HGADHN Clc1ncnc2scc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164868925 721074733 /nfs/dbraw/zinc/07/47/33/721074733.db2.gz RFSMMRSLNQZIFH-GJZGRUSLSA-N 0 3 401.923 3.219 20 0 HGADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164866968 721082327 /nfs/dbraw/zinc/08/23/27/721082327.db2.gz VRXLBUUMFSVPSS-ROUUACIJSA-N 0 3 413.953 3.274 20 0 HGADHN Cc1cccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865999 721083008 /nfs/dbraw/zinc/08/30/08/721083008.db2.gz QXEGMOWBYNGUMF-QZTJIDSGSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1cccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866000 721083334 /nfs/dbraw/zinc/08/33/34/721083334.db2.gz QXEGMOWBYNGUMF-ROUUACIJSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164880444 721138494 /nfs/dbraw/zinc/13/84/94/721138494.db2.gz WRVPPKWPIFZYTK-VXKWHMMOSA-N 0 3 401.514 3.327 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164874567 721140714 /nfs/dbraw/zinc/14/07/14/721140714.db2.gz KRRGRCFRGKRRHB-MSOLQXFVSA-N 0 3 421.570 3.363 20 0 HGADHN Fc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164874571 721157234 /nfs/dbraw/zinc/15/72/34/721157234.db2.gz KSTDSHGXTKLHFY-LEWJYISDSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164875298 721160916 /nfs/dbraw/zinc/16/09/16/721160916.db2.gz KTQCVGRJUYTFEF-WOJBJXKFSA-N 0 3 407.543 3.388 20 0 HGADHN Fc1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877636 721162278 /nfs/dbraw/zinc/16/22/78/721162278.db2.gz PJPGKZHWGYNQBH-RTBURBONSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccccc5Cl)nn4)C[C@H]3C2)cn1 ZINC001164768538 721164206 /nfs/dbraw/zinc/16/42/06/721164206.db2.gz LHGRLKZCVHNGDI-ZWKOTPCHSA-N 0 3 408.937 3.489 20 0 HGADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164880343 721167394 /nfs/dbraw/zinc/16/73/94/721167394.db2.gz WAANWLNKPDVCSZ-NHCUHLMSSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872533 721167619 /nfs/dbraw/zinc/16/76/19/721167619.db2.gz HJYLABLMZMHGHP-VXKWHMMOSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761541 721237415 /nfs/dbraw/zinc/23/74/15/721237415.db2.gz JJLGDCZRBKMTHT-MOPGFXCFSA-N 0 3 406.509 3.283 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164764879 721243412 /nfs/dbraw/zinc/24/34/12/721243412.db2.gz QIIOSFGVGYSOLM-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN COc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc2ccccc21 ZINC001164894416 721425409 /nfs/dbraw/zinc/42/54/09/721425409.db2.gz MLCHYDLLFWWIIH-CYFREDJKSA-N 0 3 410.562 3.009 20 0 HGADHN c1cn2c(n1)CN(c1ccc(CN3CCCC3)cn1)C[C@H](COCc1ccccn1)C2 ZINC001164893654 721470038 /nfs/dbraw/zinc/47/00/38/721470038.db2.gz STOXQODPNDSDRD-OAQYLSRUSA-N 0 3 418.545 3.122 20 0 HGADHN CNC(=O)N[C@H]1CC2(CCN(c3cc(CN(C)C)ccn3)CC2)c2ccc(C)cc21 ZINC001164898746 721493033 /nfs/dbraw/zinc/49/30/33/721493033.db2.gz IELBWKCVJPEMJE-NRFANRHFSA-N 0 3 407.562 3.364 20 0 HGADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897065 721513749 /nfs/dbraw/zinc/51/37/49/721513749.db2.gz DMORBQPMIUKFQP-RDJZCZTQSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CCCC5)CCN3C2)c1 ZINC001164901342 721520637 /nfs/dbraw/zinc/52/06/37/721520637.db2.gz WPOSTCZNXGKJGG-DOTOQJQBSA-N 0 3 402.901 3.490 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5cccnc5F)n4)CCN3C2)c1 ZINC001164911096 721545564 /nfs/dbraw/zinc/54/55/64/721545564.db2.gz VOIZYFCDMLNORM-SJLPKXTDSA-N 0 3 409.440 3.159 20 0 HGADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903473 721545983 /nfs/dbraw/zinc/54/59/83/721545983.db2.gz CWXFKZIINIJVAT-ICSRJNTNSA-N 0 3 412.509 3.091 20 0 HGADHN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906310 721582550 /nfs/dbraw/zinc/58/25/50/721582550.db2.gz ZXDZWESYJZVKLI-OAQYLSRUSA-N 0 3 414.504 3.492 20 0 HGADHN COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1C ZINC001164905482 721711915 /nfs/dbraw/zinc/71/19/15/721711915.db2.gz GTQWSTYBVHLELA-OAQYLSRUSA-N 0 3 416.472 3.309 20 0 HGADHN F[C@H](Oc1ccc(Cl)nc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963805 722056398 /nfs/dbraw/zinc/05/63/98/722056398.db2.gz LVDBNIPCTHGLHW-FQEVSTJZSA-N 0 3 420.916 3.377 20 0 HGADHN CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164965252 722066696 /nfs/dbraw/zinc/06/66/96/722066696.db2.gz GQRJTWBPWZISKI-UHFFFAOYSA-N 0 3 413.591 3.123 20 0 HGADHN Cc1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164984129 722103651 /nfs/dbraw/zinc/10/36/51/722103651.db2.gz RSZQQNAZBIAHGO-MOPGFXCFSA-N 0 3 409.559 3.430 20 0 HGADHN c1ccc(-c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984720 722104910 /nfs/dbraw/zinc/10/49/10/722104910.db2.gz UEBFQJKJTJFHRQ-VXKWHMMOSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2c1CCCC2 ZINC001164970859 722113149 /nfs/dbraw/zinc/11/31/49/722113149.db2.gz AAQIZFWVPWVFFF-PXNSSMCTSA-N 0 3 413.953 3.131 20 0 HGADHN c1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164976408 722122924 /nfs/dbraw/zinc/12/29/24/722122924.db2.gz LNTWVRFKXNLGLE-RXVVDRJESA-N 0 3 414.513 3.233 20 0 HGADHN COc1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164975120 722126182 /nfs/dbraw/zinc/12/61/82/722126182.db2.gz JSRICIXEIPKPEU-NZQKXSOJSA-N 0 3 404.514 3.366 20 0 HGADHN c1csc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164983333 722144784 /nfs/dbraw/zinc/14/47/84/722144784.db2.gz UGSLUEZKVLDYQW-QUCCMNQESA-N 0 3 407.543 3.327 20 0 HGADHN c1ccc(Cc2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164985058 722147101 /nfs/dbraw/zinc/14/71/01/722147101.db2.gz ZATCDMUFLIUBBL-PKTZIBPZSA-N 0 3 415.541 3.190 20 0 HGADHN Fc1ccccc1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164977040 722148145 /nfs/dbraw/zinc/14/81/45/722148145.db2.gz IAVBYYPFEVVSOE-CVDCTZTESA-N 0 3 419.504 3.405 20 0 HGADHN CCc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nc1C ZINC001164977116 722157301 /nfs/dbraw/zinc/15/73/01/722157301.db2.gz XDOOGRVXRNEYKK-IEBWSBKVSA-N 0 3 401.942 3.123 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(-c3ccccc3F)s2)[C@H](O)C1 ZINC001179402355 1126152241 /nfs/dbraw/zinc/15/22/41/1126152241.db2.gz SGXFILKTHZUUSJ-IAGOWNOFSA-N 0 3 407.511 3.409 20 0 HGADHN COC(=O)c1cccc(CN[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1Cl ZINC001473840059 1126200372 /nfs/dbraw/zinc/20/03/72/1126200372.db2.gz PIQXOHCCFBAASL-OAQYLSRUSA-N 0 3 407.894 3.227 20 0 HGADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164631696 719094639 /nfs/dbraw/zinc/09/46/39/719094639.db2.gz ZCRFENRSUBQYKN-YJBOKZPZSA-N 0 3 420.891 3.480 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)nc2Cl)c2c1CCNC2 ZINC001164684281 719603593 /nfs/dbraw/zinc/60/35/93/719603593.db2.gz ODIZQJCCIZMANU-UHFFFAOYSA-N 0 3 405.280 3.063 20 0 HGADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734744 720441962 /nfs/dbraw/zinc/44/19/62/720441962.db2.gz TZXBXDOVVJNCPI-SFTDATJTSA-N 0 3 415.497 3.163 20 0 HGADHN COc1cc2cnc(N3CCc4ncc(CN5CCCC5)n4CC3)cc2cc1OC ZINC001164736716 720586641 /nfs/dbraw/zinc/58/66/41/720586641.db2.gz ROVUBMPJBLYXHP-UHFFFAOYSA-N 0 3 407.518 3.107 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@@H]3[C@H](CCN3c3ncccc3CN3CCCC3)O2)nc1 ZINC001164843789 720779725 /nfs/dbraw/zinc/77/97/25/720779725.db2.gz AOXPWPKXCNVCRX-ZRBLBEILSA-N 0 3 408.546 3.416 20 0 HGADHN O=C(c1cccnc1)N1CCC2(CCN(c3ccc(CN4CCCC4)cn3)C2)CC1 ZINC001164860210 720894758 /nfs/dbraw/zinc/89/47/58/720894758.db2.gz UHNMQVLUWDAJIF-UHFFFAOYSA-N 0 3 405.546 3.205 20 0 HGADHN CN(Cc1ccc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1)C1CC1 ZINC001164859386 720894954 /nfs/dbraw/zinc/89/49/54/720894954.db2.gz PGAVLHANJGHSJR-UHFFFAOYSA-N 0 3 405.546 3.204 20 0 HGADHN CN(Cc1ccc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1)C1CC1 ZINC001164765365 721030867 /nfs/dbraw/zinc/03/08/67/721030867.db2.gz OVGNMPLFJBDSBM-LADGPHEKSA-N 0 3 408.546 3.416 20 0 HGADHN CSc1nc2sccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765634 721082980 /nfs/dbraw/zinc/08/29/80/721082980.db2.gz JFEIPAWHINZPLE-GJZGRUSLSA-N 0 3 400.577 3.105 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164771199 721084588 /nfs/dbraw/zinc/08/45/88/721084588.db2.gz ROEOECVOWDPORR-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN Cc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878973 721146865 /nfs/dbraw/zinc/14/68/65/721146865.db2.gz RDGAAKFPKNMLNH-YADHBBJMSA-N 0 3 401.514 3.327 20 0 HGADHN COc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164874453 721147803 /nfs/dbraw/zinc/14/78/03/721147803.db2.gz KAVLYCLGXKQUAQ-RBBKRZOGSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164877635 721162760 /nfs/dbraw/zinc/16/27/60/721162760.db2.gz PJPGKZHWGYNQBH-RBUKOAKNSA-N 0 3 405.477 3.157 20 0 HGADHN CSc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878635 721180337 /nfs/dbraw/zinc/18/03/37/721180337.db2.gz QTWPWRHSLOSFGB-MSOLQXFVSA-N 0 3 407.543 3.226 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164772347 721181136 /nfs/dbraw/zinc/18/11/36/721181136.db2.gz SQBGDNAVBMXQDL-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@@H]3C2)cn1 ZINC001164773855 721209152 /nfs/dbraw/zinc/20/91/52/721209152.db2.gz XMCHNJGYTSENCQ-OALUTQOASA-N 0 3 408.937 3.489 20 0 HGADHN Cc1c(Cl)nc(CC(C)C)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763941 721234201 /nfs/dbraw/zinc/23/42/01/721234201.db2.gz OHBMFIUUECDXRR-ZWKOTPCHSA-N 0 3 402.974 3.329 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761545 721237112 /nfs/dbraw/zinc/23/71/12/721237112.db2.gz JJLGDCZRBKMTHT-RTBURBONSA-N 0 3 406.509 3.283 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164769861 721238651 /nfs/dbraw/zinc/23/86/51/721238651.db2.gz ZWFPFABCCCHRLV-UXHICEINSA-N 0 3 420.586 3.461 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878093 721258598 /nfs/dbraw/zinc/25/85/98/721258598.db2.gz SCSWKJQIZGQMAF-ZJSXRUAMSA-N 0 3 408.546 3.091 20 0 HGADHN CCOc1ccnc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777728 721349754 /nfs/dbraw/zinc/34/97/54/721349754.db2.gz HPQQSARCJACFNB-JOCHJYFZSA-N 0 3 400.523 3.204 20 0 HGADHN c1cn2c(n1)CN(c1ncccc1CN1CCCC1)C[C@@H](COCc1ccccn1)C2 ZINC001164891705 721470248 /nfs/dbraw/zinc/47/02/48/721470248.db2.gz NRZQIYBWUCFSPA-FQEVSTJZSA-N 0 3 418.545 3.122 20 0 HGADHN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ccc(CN2CCCC2)cn1 ZINC001164893993 721475738 /nfs/dbraw/zinc/47/57/38/721475738.db2.gz LOIKJSNPIJAHPT-DEOSSOPVSA-N 0 3 405.546 3.234 20 0 HGADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900262 721511172 /nfs/dbraw/zinc/51/11/72/721511172.db2.gz PGBGVPIUZUOMIM-ZBFHGGJFSA-N 0 3 405.857 3.003 20 0 HGADHN CCOC(=O)/C=C/c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902234 721513908 /nfs/dbraw/zinc/51/39/08/721513908.db2.gz ZZNUCMNUTZVNKX-PYVMNZDGSA-N 0 3 411.477 3.139 20 0 HGADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901686 721524533 /nfs/dbraw/zinc/52/45/33/721524533.db2.gz XYJNBCYZAIHITI-HOCLYGCPSA-N 0 3 418.900 3.376 20 0 HGADHN CCOCc1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909834 721549085 /nfs/dbraw/zinc/54/90/85/721549085.db2.gz SBNRSBCRPUFTNZ-FUHWJXTLSA-N 0 3 406.889 3.148 20 0 HGADHN CCOCc1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909837 721549264 /nfs/dbraw/zinc/54/92/64/721549264.db2.gz SBNRSBCRPUFTNZ-WMZOPIPTSA-N 0 3 406.889 3.148 20 0 HGADHN CCCSc1ncnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164904207 721566654 /nfs/dbraw/zinc/56/66/54/721566654.db2.gz DJIZPNFNEZLRPQ-AEFFLSMTSA-N 0 3 418.538 3.468 20 0 HGADHN CCN(C)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164902975 721582947 /nfs/dbraw/zinc/58/29/47/721582947.db2.gz KCXUCWILZLLYFU-FQEVSTJZSA-N 0 3 402.493 3.065 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164982829 722098325 /nfs/dbraw/zinc/09/83/25/722098325.db2.gz PGFSUGFPUQYNCQ-FDFHNCONSA-N 0 3 405.546 3.223 20 0 HGADHN FC(F)(c1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983406 722100587 /nfs/dbraw/zinc/10/05/87/722100587.db2.gz PYVPYQKCSVHCAO-DLBZAZTESA-N 0 3 408.880 3.402 20 0 HGADHN Clc1cccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164983502 722106720 /nfs/dbraw/zinc/10/67/20/722106720.db2.gz QNJNVRYHKZSXRX-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN COc1cccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980104 722106987 /nfs/dbraw/zinc/10/69/87/722106987.db2.gz JIRMJFIYVWCAKC-IRLDBZIGSA-N 0 3 404.514 3.366 20 0 HGADHN COc1cccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980110 722107064 /nfs/dbraw/zinc/10/70/64/722107064.db2.gz JIRMJFIYVWCAKC-UNMCSNQZSA-N 0 3 404.514 3.366 20 0 HGADHN c1csc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164982535 722128051 /nfs/dbraw/zinc/12/80/51/722128051.db2.gz WYVWJZFNFRZKMS-QUCCMNQESA-N 0 3 407.543 3.327 20 0 HGADHN c1csc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164982529 722128170 /nfs/dbraw/zinc/12/81/70/722128170.db2.gz WYVWJZFNFRZKMS-AZUAARDMSA-N 0 3 407.543 3.327 20 0 HGADHN CC(C)n1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978882 722136442 /nfs/dbraw/zinc/13/64/42/722136442.db2.gz KHWUULDLYNDEBK-CTNGQTDRSA-N 0 3 406.534 3.135 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@@H]3C2)c1 ZINC001164985474 722138176 /nfs/dbraw/zinc/13/81/76/722138176.db2.gz ZPGZUAMJQJUGRO-PKTZIBPZSA-N 0 3 401.514 3.266 20 0 HGADHN Fc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164976123 722145711 /nfs/dbraw/zinc/14/57/11/722145711.db2.gz HGYTXDWOHLMPFG-OFNKIYASSA-N 0 3 419.504 3.405 20 0 HGADHN Cc1csc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164984574 722148079 /nfs/dbraw/zinc/14/80/79/722148079.db2.gz XCVLXYQBZOZZEU-RTBURBONSA-N 0 3 409.559 3.430 20 0 HGADHN Fc1ccc(-c2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164971141 722154046 /nfs/dbraw/zinc/15/40/46/722154046.db2.gz AUDYYFGZWJBRDS-OFNKIYASSA-N 0 3 419.504 3.405 20 0 HGADHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cc2c(cc1Br)OCO2 ZINC000537297406 1126096881 /nfs/dbraw/zinc/09/68/81/1126096881.db2.gz YWEXCVSTCJEHLT-CQSZACIVSA-N 0 3 403.276 3.352 20 0 HGADHN CCc1oc(C(=O)OC)cc1CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641122 1126198087 /nfs/dbraw/zinc/19/80/87/1126198087.db2.gz GADZFLSIOLPNOM-HXUWFJFHSA-N 0 3 422.319 3.401 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3ccc(Cl)nc3)CC2)CC1 ZINC001164614171 719024646 /nfs/dbraw/zinc/02/46/46/719024646.db2.gz OOKOHOIZEKITBD-UHFFFAOYSA-N 0 3 417.884 3.404 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(CN3CCCC3)cn2)cs1 ZINC001164816271 720258597 /nfs/dbraw/zinc/25/85/97/720258597.db2.gz HIPKJRDRIYLJBM-PMACEKPBSA-N 0 3 411.575 3.212 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(CN(C)C3CC3)cn2)cs1 ZINC001164816039 720259889 /nfs/dbraw/zinc/25/98/89/720259889.db2.gz FOTVAYGUBNJJJB-VQTJNVASSA-N 0 3 411.575 3.211 20 0 HGADHN COc1cc2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2cc1OC ZINC001164730505 720572528 /nfs/dbraw/zinc/57/25/28/720572528.db2.gz WXZOPMRVQSAMEF-UHFFFAOYSA-N 0 3 407.518 3.107 20 0 HGADHN c1ccc(-c2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc3ccccc32)cc1 ZINC001164739298 720689563 /nfs/dbraw/zinc/68/95/63/720689563.db2.gz MVZXXMKFDXWLKA-PMACEKPBSA-N 0 3 424.508 3.429 20 0 HGADHN COc1ccc2c(c1)nc(Cl)cc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744331 720694162 /nfs/dbraw/zinc/69/41/62/720694162.db2.gz ZJVWJCMGFHRSCN-GDBMZVCRSA-N 0 3 411.893 3.029 20 0 HGADHN O=C(N[C@@H]1CCO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1ccccc1 ZINC001164858411 720901212 /nfs/dbraw/zinc/90/12/12/720901212.db2.gz NIPGSLOIPSAGNB-RCZVLFRGSA-N 0 3 420.557 3.235 20 0 HGADHN CCOC(=O)c1cc2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2[nH]1 ZINC001164861836 720950675 /nfs/dbraw/zinc/95/06/75/720950675.db2.gz UKIIEZURLCPQAQ-OAHLLOKOSA-N 0 3 410.522 3.358 20 0 HGADHN Cc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866576 721072597 /nfs/dbraw/zinc/07/25/97/721072597.db2.gz FRKOQZOTJDTGIV-ROUUACIJSA-N 0 3 409.921 3.466 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766620 721087241 /nfs/dbraw/zinc/08/72/41/721087241.db2.gz KYSNERGQJCIDDL-OALUTQOASA-N 0 3 408.937 3.489 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164874569 721140415 /nfs/dbraw/zinc/14/04/15/721140415.db2.gz KRRGRCFRGKRRHB-ROUUACIJSA-N 0 3 421.570 3.363 20 0 HGADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CCN3C2)c1 ZINC001164876438 721140615 /nfs/dbraw/zinc/14/06/15/721140615.db2.gz MLDVJRXKMUXIGJ-IAGOWNOFSA-N 0 3 407.543 3.055 20 0 HGADHN COc1ccccc1-c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164879425 721153390 /nfs/dbraw/zinc/15/33/90/721153390.db2.gz SDHBCSLWXJAUEF-UXHICEINSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1cc2ncc(Cl)nc2cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877063 721159543 /nfs/dbraw/zinc/15/95/43/721159543.db2.gz OQTCUZQDXLRMBP-HZPDHXFCSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871662 721182495 /nfs/dbraw/zinc/18/24/95/721182495.db2.gz GDYUQSYLMTYNPP-VXKWHMMOSA-N 0 3 419.504 3.466 20 0 HGADHN Fc1ccc2c(Cl)ncnc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868052 721191484 /nfs/dbraw/zinc/19/14/84/721191484.db2.gz JQZVOHAFZIBLBN-HZPDHXFCSA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164770883 721213218 /nfs/dbraw/zinc/21/32/18/721213218.db2.gz PALARRALXAMTLW-RTWAWAEBSA-N 0 3 421.520 3.492 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc5nc(Cl)cnc5cc4F)C[C@@H]3C2)cn1 ZINC001164768499 721213664 /nfs/dbraw/zinc/21/36/64/721213664.db2.gz LFCDNGSEJVJQBN-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN COc1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164895426 721426888 /nfs/dbraw/zinc/42/68/88/721426888.db2.gz OXBOPXRTFZBOQZ-XUZZJYLKSA-N 0 3 410.562 3.009 20 0 HGADHN Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164782997 721441731 /nfs/dbraw/zinc/44/17/31/721441731.db2.gz KWYOSTAJQFXNEV-JOCHJYFZSA-N 0 3 418.545 3.127 20 0 HGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901057 721508983 /nfs/dbraw/zinc/50/89/83/721508983.db2.gz WFPFUHCKFXFWDS-WMZOPIPTSA-N 0 3 419.884 3.393 20 0 HGADHN COC(=O)c1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901428 721520463 /nfs/dbraw/zinc/52/04/63/721520463.db2.gz XEWUYJGOTCXPSQ-RDJZCZTQSA-N 0 3 405.857 3.003 20 0 HGADHN CSc1nc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2s1 ZINC001164909328 721545265 /nfs/dbraw/zinc/54/52/65/721545265.db2.gz RLAYZLUSALVLOV-ZFWWWQNUSA-N 0 3 417.535 3.289 20 0 HGADHN CCOC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164902981 721547967 /nfs/dbraw/zinc/54/79/67/721547967.db2.gz BPDYEWRHLJPOAB-RDJZCZTQSA-N 0 3 419.884 3.393 20 0 HGADHN CCCSc1ncnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164904214 721566577 /nfs/dbraw/zinc/56/65/77/721566577.db2.gz DJIZPNFNEZLRPQ-WMZOPIPTSA-N 0 3 418.538 3.468 20 0 HGADHN FC1(F)CCN(c2nc(Cl)nc3nc[nH]c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906699 721584254 /nfs/dbraw/zinc/58/42/54/721584254.db2.gz OWZXOEPIMNKYIW-GOSISDBHSA-N 0 3 419.867 3.139 20 0 HGADHN COC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164908005 721700442 /nfs/dbraw/zinc/70/04/42/721700442.db2.gz XXQBRCXUMWFTIR-NRFANRHFSA-N 0 3 416.472 3.309 20 0 HGADHN Cc1noc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913844 721732166 /nfs/dbraw/zinc/73/21/66/721732166.db2.gz YWRREVMKWRDXOL-LJQANCHMSA-N 0 3 400.433 3.059 20 0 HGADHN FC(F)(c1cccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981254 722100232 /nfs/dbraw/zinc/10/02/32/722100232.db2.gz KSMZERJUJOJRAY-WMZOPIPTSA-N 0 3 408.880 3.402 20 0 HGADHN FC(F)(c1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983408 722100581 /nfs/dbraw/zinc/10/05/81/722100581.db2.gz PYVPYQKCSVHCAO-IRXDYDNUSA-N 0 3 408.880 3.402 20 0 HGADHN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977250 722101738 /nfs/dbraw/zinc/10/17/38/722101738.db2.gz FKEPTOAWBBMNOF-IRXDYDNUSA-N 0 3 423.895 3.106 20 0 HGADHN Cc1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164984132 722104010 /nfs/dbraw/zinc/10/40/10/722104010.db2.gz RSZQQNAZBIAHGO-RBUKOAKNSA-N 0 3 409.559 3.430 20 0 HGADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164977274 722106137 /nfs/dbraw/zinc/10/61/37/722106137.db2.gz FNLXKACDCJSQBV-YLJYHZDGSA-N 0 3 413.953 3.131 20 0 HGADHN FC(F)(Oc1cccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986644 722107094 /nfs/dbraw/zinc/10/70/94/722107094.db2.gz ZYSVZHBNYWUGSX-AEFFLSMTSA-N 0 3 424.879 3.282 20 0 HGADHN FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982069 722108777 /nfs/dbraw/zinc/10/87/77/722108777.db2.gz VVPZVEQZUOYGIM-IAGOWNOFSA-N 0 3 424.879 3.282 20 0 HGADHN Clc1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982144 722110260 /nfs/dbraw/zinc/11/02/60/722110260.db2.gz WCEXXTCXCGMNLJ-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN CCc1c(Cl)nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1CC ZINC001164980412 722120053 /nfs/dbraw/zinc/12/00/53/722120053.db2.gz RDBQBYGFHZKXFF-PXNSSMCTSA-N 0 3 415.969 3.377 20 0 HGADHN CSc1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980579 722123591 /nfs/dbraw/zinc/12/35/91/722123591.db2.gz RWFXNBCZRWHGTK-RXVVDRJESA-N 0 3 421.570 3.474 20 0 HGADHN c1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164976403 722123598 /nfs/dbraw/zinc/12/35/98/722123598.db2.gz LNTWVRFKXNLGLE-NQIIRXRSSA-N 0 3 414.513 3.233 20 0 HGADHN Clc1ccnc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc12 ZINC001164978367 722127185 /nfs/dbraw/zinc/12/71/85/722127185.db2.gz OMNLZPWNSWMVHC-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975198 722135784 /nfs/dbraw/zinc/13/57/84/722135784.db2.gz FQVPZPGWTKNJKV-AZUAARDMSA-N 0 3 420.561 3.378 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164971078 722154417 /nfs/dbraw/zinc/15/44/17/722154417.db2.gz ALJRQKOBIMEPRI-VXKWHMMOSA-N 0 3 423.561 3.168 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164971074 722154639 /nfs/dbraw/zinc/15/46/39/722154639.db2.gz ALJRQKOBIMEPRI-FCHUYYIVSA-N 0 3 423.561 3.168 20 0 HGADHN COc1cc2c(cc1CN[C@](C)(CO)Cc1ccc(Br)cc1)OCO2 ZINC001474227522 1126203553 /nfs/dbraw/zinc/20/35/53/1126203553.db2.gz YGMQOLVIQOVGAE-IBGZPJMESA-N 0 3 408.292 3.270 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C)nnc3Cl)CC2)CC1 ZINC001164616429 719032235 /nfs/dbraw/zinc/03/22/35/719032235.db2.gz BRSQWIDXEOZXKA-UHFFFAOYSA-N 0 3 416.900 3.227 20 0 HGADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccc(C(C)C)cc2)nnc1Cl ZINC001164630279 719138594 /nfs/dbraw/zinc/13/85/94/719138594.db2.gz IIWWDFMGFUUKHG-KRWDZBQOSA-N 0 3 424.879 3.417 20 0 HGADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCN(CC(C)C)CC2)n1 ZINC001164657256 719335761 /nfs/dbraw/zinc/33/57/61/719335761.db2.gz GCWVPICCCRRHMX-NTMALXAHSA-N 0 3 402.539 3.030 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164690017 719752419 /nfs/dbraw/zinc/75/24/19/719752419.db2.gz OUEWFHBWRRJAHB-UHFFFAOYSA-N 0 3 405.974 3.359 20 0 HGADHN COc1cc2nc(C)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723748 720386902 /nfs/dbraw/zinc/38/69/02/720386902.db2.gz HDDFPGVWCFZPLG-WOJBJXKFSA-N 0 3 405.502 3.204 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825786 720392277 /nfs/dbraw/zinc/39/22/77/720392277.db2.gz VIGJJECOEFKKEN-SJBKTWHCSA-N 0 3 414.575 3.394 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ncccc3CN3CCCC3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825845 720392992 /nfs/dbraw/zinc/39/29/92/720392992.db2.gz VOYUEXYVOPIHSS-NJDAHSKKSA-N 0 3 414.575 3.395 20 0 HGADHN Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc(NC(=O)c2ccccc2)n1 ZINC001164731656 720466525 /nfs/dbraw/zinc/46/65/25/720466525.db2.gz XGFJKJOPVVWBRA-NHCUHLMSSA-N 0 3 414.513 3.286 20 0 HGADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737563 720676382 /nfs/dbraw/zinc/67/63/82/720676382.db2.gz GECIPGOTGKGKCR-UXHICEINSA-N 0 3 424.508 3.429 20 0 HGADHN COc1cc2cnc(Cl)cc2cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749833 720807236 /nfs/dbraw/zinc/80/72/36/720807236.db2.gz UPKWFEQHBRGWQG-SJORKVTESA-N 0 3 411.893 3.029 20 0 HGADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867740 721091394 /nfs/dbraw/zinc/09/13/94/721091394.db2.gz ZUITZFORKIZSNK-ROUUACIJSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164768955 721106197 /nfs/dbraw/zinc/10/61/97/721106197.db2.gz OJKHNFRXESROFZ-LSDHHAIUSA-N 0 3 402.955 3.345 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(F)cccc54)C[C@@H]3C2)cn1 ZINC001164762528 721117744 /nfs/dbraw/zinc/11/77/44/721117744.db2.gz CSUKKANXOVDZFD-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN CSc1nc2ccsc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771726 721118028 /nfs/dbraw/zinc/11/80/28/721118028.db2.gz SSZWUZJCJPWYTM-CABCVRRESA-N 0 3 400.577 3.105 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164773259 721120064 /nfs/dbraw/zinc/12/00/64/721120064.db2.gz XOASRQFQZMHGJK-IAGOWNOFSA-N 0 3 400.958 3.091 20 0 HGADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc1-2 ZINC001164879496 721124834 /nfs/dbraw/zinc/12/48/34/721124834.db2.gz SVBKQWLEVXOFGW-VXKWHMMOSA-N 0 3 413.525 3.117 20 0 HGADHN COc1ccccc1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164872511 721147221 /nfs/dbraw/zinc/14/72/21/721147221.db2.gz HJVWIQARMKVMHK-VQTJNVASSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164880689 721162065 /nfs/dbraw/zinc/16/20/65/721162065.db2.gz XCPPNVZLFFQOBP-SFTDATJTSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164774421 721183647 /nfs/dbraw/zinc/18/36/47/721183647.db2.gz ZAWZSNFKYYRHDO-OALUTQOASA-N 0 3 421.549 3.121 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164889254 721395556 /nfs/dbraw/zinc/39/55/56/721395556.db2.gz LHQGQPSLLBPNPS-XUZZJYLKSA-N 0 3 410.562 3.009 20 0 HGADHN COc1ccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164885163 721420459 /nfs/dbraw/zinc/42/04/59/721420459.db2.gz GCDMAMWPDPPZGX-XUZZJYLKSA-N 0 3 410.562 3.009 20 0 HGADHN Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164783000 721441714 /nfs/dbraw/zinc/44/17/14/721441714.db2.gz KWYOSTAJQFXNEV-QFIPXVFZSA-N 0 3 418.545 3.127 20 0 HGADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900763 721509572 /nfs/dbraw/zinc/50/95/72/721509572.db2.gz UPMJXLAHOJDIBS-DOTOQJQBSA-N 0 3 419.884 3.393 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)CCN3C2)c1 ZINC001164901344 721520367 /nfs/dbraw/zinc/52/03/67/721520367.db2.gz WPOSTCZNXGKJGG-NVXWUHKLSA-N 0 3 402.901 3.490 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(C)c2c1 ZINC001164912013 721540939 /nfs/dbraw/zinc/54/09/39/721540939.db2.gz YDDVAFXYBDTDCT-XLIONFOSSA-N 0 3 408.477 3.428 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5cccnc5F)n4)CCN3C2)c1 ZINC001164911094 721544775 /nfs/dbraw/zinc/54/47/75/721544775.db2.gz VOIZYFCDMLNORM-FUHWJXTLSA-N 0 3 409.440 3.159 20 0 HGADHN COC(OC)c1cc(C)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909726 721547679 /nfs/dbraw/zinc/54/76/79/721547679.db2.gz RRSGMUHIOBEANX-MJGOQNOKSA-N 0 3 401.482 3.162 20 0 HGADHN CC1CCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164911658 721555399 /nfs/dbraw/zinc/55/53/99/721555399.db2.gz ZKJCFWBXWLRIKU-FPOVZHCZSA-N 0 3 411.525 3.194 20 0 HGADHN FC1(F)CCN(c2nccc(N3CCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905134 721582798 /nfs/dbraw/zinc/58/27/98/721582798.db2.gz SPHIEJASABZIEE-NRFANRHFSA-N 0 3 414.504 3.210 20 0 HGADHN Fc1cc2c(cn1)ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907039 721695824 /nfs/dbraw/zinc/69/58/24/721695824.db2.gz QLMXQFNGWOLPLU-HXUWFJFHSA-N 0 3 414.435 3.297 20 0 HGADHN Cc1nc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2n1C ZINC001164904347 721704036 /nfs/dbraw/zinc/70/40/36/721704036.db2.gz BXRDBUFPCVHJEP-OAQYLSRUSA-N 0 3 412.488 3.409 20 0 HGADHN CC(=O)Nc1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904820 721704487 /nfs/dbraw/zinc/70/44/87/721704487.db2.gz DFLVCVLEQVXRBA-HXUWFJFHSA-N 0 3 401.461 3.173 20 0 HGADHN c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)n1 ZINC001164919459 721811531 /nfs/dbraw/zinc/81/15/31/721811531.db2.gz XYCDJGKOWHXZOY-SVFBPWRDSA-N 0 3 414.575 3.335 20 0 HGADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCN(C3CCCC3)CC2)n1 ZINC001165032320 721858568 /nfs/dbraw/zinc/85/85/68/721858568.db2.gz QNFWMWSLMOMANV-BENRWUELSA-N 0 3 414.550 3.317 20 0 HGADHN Cc1nc2ccccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961963 722054204 /nfs/dbraw/zinc/05/42/04/722054204.db2.gz ZYRNGEUXGWKTDM-UHFFFAOYSA-N 0 3 403.530 3.452 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164979127 722097978 /nfs/dbraw/zinc/09/79/78/722097978.db2.gz HDVWHBIWZCWJTF-MQSCRBSSSA-N 0 3 405.546 3.223 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164979133 722098001 /nfs/dbraw/zinc/09/80/01/722098001.db2.gz HDVWHBIWZCWJTF-QZNHQXDQSA-N 0 3 405.546 3.223 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164982826 722098407 /nfs/dbraw/zinc/09/84/07/722098407.db2.gz PGFSUGFPUQYNCQ-BHDDXSALSA-N 0 3 405.546 3.223 20 0 HGADHN FC(F)(c1cccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981248 722100131 /nfs/dbraw/zinc/10/01/31/722100131.db2.gz KSMZERJUJOJRAY-AEFFLSMTSA-N 0 3 408.880 3.402 20 0 HGADHN FC(F)(c1ccnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986539 722100519 /nfs/dbraw/zinc/10/05/19/722100519.db2.gz ZGZOVUHCEZCHKK-FUHWJXTLSA-N 0 3 408.880 3.402 20 0 HGADHN CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986635 722104283 /nfs/dbraw/zinc/10/42/83/722104283.db2.gz ZQRFUTZOTRQEHF-SFTDATJTSA-N 0 3 424.545 3.159 20 0 HGADHN Clc1cccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981609 722106233 /nfs/dbraw/zinc/10/62/33/722106233.db2.gz LTMDNGATOPXPNO-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN COc1cccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980102 722107200 /nfs/dbraw/zinc/10/72/00/722107200.db2.gz JIRMJFIYVWCAKC-IFMALSPDSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc12 ZINC001164982018 722110197 /nfs/dbraw/zinc/11/01/97/722110197.db2.gz VSWBZNYTRFFBLZ-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2n1 ZINC001164979168 722122011 /nfs/dbraw/zinc/12/20/11/722122011.db2.gz PJXQEVRHFQIUAQ-UYAOXDASSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971430 722122290 /nfs/dbraw/zinc/12/22/90/722122290.db2.gz CKWSGGHOIYFLSD-WMZHIEFXSA-N 0 3 419.529 3.151 20 0 HGADHN Clc1ccc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc2n1 ZINC001164979164 722122527 /nfs/dbraw/zinc/12/25/27/722122527.db2.gz PJXQEVRHFQIUAQ-ICSRJNTNSA-N 0 3 409.921 3.406 20 0 HGADHN COc1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164975121 722126551 /nfs/dbraw/zinc/12/65/51/722126551.db2.gz JSRICIXEIPKPEU-OFNKIYASSA-N 0 3 404.514 3.366 20 0 HGADHN CC(C)n1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978885 722136483 /nfs/dbraw/zinc/13/64/83/722136483.db2.gz KHWUULDLYNDEBK-TZIWHRDSSA-N 0 3 406.534 3.135 20 0 HGADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975158 722138274 /nfs/dbraw/zinc/13/82/74/722138274.db2.gz DXOMFUUHWKYPQT-FYYLOGMGSA-N 0 3 401.514 3.266 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164980362 722139161 /nfs/dbraw/zinc/13/91/61/722139161.db2.gz NFSIRPJQQMFSEX-HKUYNNGSSA-N 0 3 421.570 3.302 20 0 HGADHN c1csc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164983331 722144892 /nfs/dbraw/zinc/14/48/92/722144892.db2.gz UGSLUEZKVLDYQW-AZUAARDMSA-N 0 3 407.543 3.327 20 0 HGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(C)nc2c1 ZINC001164976068 722146475 /nfs/dbraw/zinc/14/64/75/722146475.db2.gz GYARHEFXVSRBGM-AUSIDOKSSA-N 0 3 419.529 3.069 20 0 HGADHN Fc1ccc(-c2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971136 722154039 /nfs/dbraw/zinc/15/40/39/722154039.db2.gz AUDYYFGZWJBRDS-NFBKMPQASA-N 0 3 419.504 3.405 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971203 722154119 /nfs/dbraw/zinc/15/41/19/722154119.db2.gz BCMJXPGGJVTUHP-XMSQKQJNSA-N 0 3 403.530 3.174 20 0 HGADHN COC(=O)c1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c(Br)c1 ZINC000560255391 1126097345 /nfs/dbraw/zinc/09/73/45/1126097345.db2.gz QAEUPIXDARAEAL-MRXNPFEDSA-N 0 3 417.303 3.410 20 0 HGADHN COC(=O)c1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1 ZINC001196105364 1126153475 /nfs/dbraw/zinc/15/34/75/1126153475.db2.gz VHIFQOOYQIQOTF-FQEVSTJZSA-N 0 3 422.294 3.384 20 0 HGADHN COC(=O)c1ccc(F)c(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460872247 1126193558 /nfs/dbraw/zinc/19/35/58/1126193558.db2.gz UYBLJJJEQMINFT-LJQANCHMSA-N 0 3 410.283 3.458 20 0 HGADHN COc1ccccc1C[C@@](C)(CO)NCc1nc2ccc(Br)cc2n1C ZINC001560102351 1126208216 /nfs/dbraw/zinc/20/82/16/1126208216.db2.gz LYPRWVJYIDXZHG-FQEVSTJZSA-N 0 3 418.335 3.428 20 0 HGADHN Cn1nc(C(F)(F)F)cc1CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC001560182426 1126208654 /nfs/dbraw/zinc/20/86/54/1126208654.db2.gz DKCLBTABKSOJNS-HNNXBMFYSA-N 0 3 406.246 3.285 20 0 HGADHN CN(C)Cc1ccnc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164421794 718891066 /nfs/dbraw/zinc/89/10/66/718891066.db2.gz YGUHLVHEYQHJAG-INIZCTEOSA-N 0 3 416.323 3.131 20 0 HGADHN CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164663728 719360192 /nfs/dbraw/zinc/36/01/92/719360192.db2.gz GYJPTFHQXZTBKS-UHFFFAOYSA-N 0 3 413.591 3.221 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164687517 719715183 /nfs/dbraw/zinc/71/51/83/719715183.db2.gz YRTOUFYDTIPDOS-UHFFFAOYSA-N 0 3 415.541 3.478 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164689653 719751249 /nfs/dbraw/zinc/75/12/49/719751249.db2.gz JVOWWUBSNIUHTC-UHFFFAOYSA-N 0 3 408.333 3.117 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821834 720391020 /nfs/dbraw/zinc/39/10/20/720391020.db2.gz JGWHCHIKRQDGIA-KCZVDYSFSA-N 0 3 414.575 3.395 20 0 HGADHN CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164732821 720420737 /nfs/dbraw/zinc/42/07/37/720420737.db2.gz OINXKEGMBDRKQV-PKTZIBPZSA-N 0 3 400.530 3.458 20 0 HGADHN CC1CCN(C(=O)c2cccnc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC1 ZINC001164727967 720436800 /nfs/dbraw/zinc/43/68/00/720436800.db2.gz FMJQJMMKQJMUAA-FCHUYYIVSA-N 0 3 405.546 3.202 20 0 HGADHN COC(=O)c1nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c2ccccc2c1OC ZINC001164735071 720459760 /nfs/dbraw/zinc/45/97/60/720459760.db2.gz VMWBOBHGKAUJSN-VQTJNVASSA-N 0 3 418.497 3.278 20 0 HGADHN COc1cccc2c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164743742 720607028 /nfs/dbraw/zinc/60/70/28/720607028.db2.gz QKMRAPJLWLSNOI-GJZGRUSLSA-N 0 3 411.893 3.029 20 0 HGADHN COc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c2cc(Cl)ccc12 ZINC001164740109 720697691 /nfs/dbraw/zinc/69/76/91/720697691.db2.gz QARIHEZOSRGOIR-JKSUJKDBSA-N 0 3 411.893 3.029 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164738497 720756629 /nfs/dbraw/zinc/75/66/29/720756629.db2.gz FVDMPTPZSDMJMA-HOTGVXAUSA-N 0 3 422.558 3.010 20 0 HGADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748896 720792831 /nfs/dbraw/zinc/79/28/31/720792831.db2.gz RVBRDRQTFZODOV-KGLIPLIRSA-N 0 3 417.300 3.069 20 0 HGADHN CN(Cc1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1)C1CC1 ZINC001164861545 720902443 /nfs/dbraw/zinc/90/24/43/720902443.db2.gz TVXLAKRQJXHTBZ-SQJMNOBHSA-N 0 3 420.557 3.234 20 0 HGADHN CCn1nnc2c1CCN(c1cc(CN(C)C)ccn1)[C@@H]2COCc1ccccc1 ZINC001164773464 721049320 /nfs/dbraw/zinc/04/93/20/721049320.db2.gz RZDDRTDZJLFULY-OAQYLSRUSA-N 0 3 406.534 3.075 20 0 HGADHN c1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868814 721065853 /nfs/dbraw/zinc/06/58/53/721065853.db2.gz QRKSRRTVAUPFAW-PZJWPPBQSA-N 0 3 403.486 3.144 20 0 HGADHN COc1cccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164867349 721114602 /nfs/dbraw/zinc/11/46/02/721114602.db2.gz YDWJBMQVUDFGES-UNMCSNQZSA-N 0 3 417.513 3.027 20 0 HGADHN CCOC(=O)c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164769012 721124579 /nfs/dbraw/zinc/12/45/79/721124579.db2.gz OTYGXKRIBRHWFM-RBUKOAKNSA-N 0 3 419.529 3.103 20 0 HGADHN COc1ccccc1-c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164879426 721153940 /nfs/dbraw/zinc/15/39/40/721153940.db2.gz SDHBCSLWXJAUEF-VQTJNVASSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccccc1-c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164879427 721155439 /nfs/dbraw/zinc/15/54/39/721155439.db2.gz SDHBCSLWXJAUEF-WOJBJXKFSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164874574 721156927 /nfs/dbraw/zinc/15/69/27/721156927.db2.gz KSTDSHGXTKLHFY-SFTDATJTSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1c(Cl)nc(C(C)C)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871546 721178660 /nfs/dbraw/zinc/17/86/60/721178660.db2.gz FGOJKLLZSYCADL-MSOLQXFVSA-N 0 3 401.942 3.437 20 0 HGADHN Fc1ccc(-c2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870984 721182689 /nfs/dbraw/zinc/18/26/89/721182689.db2.gz CUDORWMUDRJPMW-LEWJYISDSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164774419 721183589 /nfs/dbraw/zinc/18/35/89/721183589.db2.gz ZAWZSNFKYYRHDO-MOPGFXCFSA-N 0 3 421.549 3.121 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(NC(=O)OC(C)(C)C)cn4)C[C@H]3C2)cn1 ZINC001164764170 721188066 /nfs/dbraw/zinc/18/80/66/721188066.db2.gz GKIBLLILJOKEKK-QZTJIDSGSA-N 0 3 412.538 3.120 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4OCc4ccccc4)C[C@H]3C2)cn1 ZINC001164768631 721192444 /nfs/dbraw/zinc/19/24/44/721192444.db2.gz LKHNUVCAWNMHHO-FCHUYYIVSA-N 0 3 403.530 3.352 20 0 HGADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164774438 721195351 /nfs/dbraw/zinc/19/53/51/721195351.db2.gz ZEUQAYBXZCTTAR-DLBZAZTESA-N 0 3 402.974 3.428 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164764882 721244384 /nfs/dbraw/zinc/24/43/84/721244384.db2.gz QIIOSFGVGYSOLM-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN COc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc2ccccc21 ZINC001164894417 721425013 /nfs/dbraw/zinc/42/50/13/721425013.db2.gz MLCHYDLLFWWIIH-DVECYGJZSA-N 0 3 410.562 3.009 20 0 HGADHN CN(Cc1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1)C1CC1 ZINC001164888976 721470174 /nfs/dbraw/zinc/47/01/74/721470174.db2.gz GTARGSWODHANFV-HXUWFJFHSA-N 0 3 418.545 3.121 20 0 HGADHN CN(Cc1ccc(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1)C1CC1 ZINC001164893448 721474166 /nfs/dbraw/zinc/47/41/66/721474166.db2.gz IXTLIHIIHHMFON-UHFFFAOYSA-N 0 3 404.558 3.477 20 0 HGADHN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1ccc(CN2CCCC2)cn1 ZINC001164893994 721475708 /nfs/dbraw/zinc/47/57/08/721475708.db2.gz LOIKJSNPIJAHPT-XMMPIXPASA-N 0 3 405.546 3.234 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5ncsc54)CCN3C2)c1 ZINC001164908604 721536020 /nfs/dbraw/zinc/53/60/20/721536020.db2.gz PUODREVGXFWMMC-GXTWGEPZSA-N 0 3 405.886 3.221 20 0 HGADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164909748 721540899 /nfs/dbraw/zinc/54/08/99/721540899.db2.gz RSSLAYONYNGFFI-UYAOXDASSA-N 0 3 413.493 3.356 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164903541 721559801 /nfs/dbraw/zinc/55/98/01/721559801.db2.gz CCYWJVDAFZZQBQ-FPOVZHCZSA-N 0 3 411.525 3.338 20 0 HGADHN CN(C)c1nc(Cl)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905775 721584066 /nfs/dbraw/zinc/58/40/66/721584066.db2.gz WYWIVUKLVMITLB-IBGZPJMESA-N 0 3 422.911 3.329 20 0 HGADHN COCc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164906981 721700820 /nfs/dbraw/zinc/70/08/20/721700820.db2.gz QBEDLBBUQTWCMC-FQEVSTJZSA-N 0 3 403.477 3.064 20 0 HGADHN CN(Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1)C1CC1 ZINC001164916701 721811030 /nfs/dbraw/zinc/81/10/30/721811030.db2.gz ITXWOPNJKNJTLN-LRXVAGHRSA-N 0 3 414.575 3.333 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001164942923 721967395 /nfs/dbraw/zinc/96/73/95/721967395.db2.gz DNBFGGPGASOILN-ILBGXUMGSA-N 0 3 404.558 3.446 20 0 HGADHN F[C@@H](Oc1ccnc(Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964870 722054542 /nfs/dbraw/zinc/05/45/42/722054542.db2.gz YUYZJTMJYHNQJE-HXUWFJFHSA-N 0 3 420.916 3.377 20 0 HGADHN FC(F)(c1cccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981252 722100075 /nfs/dbraw/zinc/10/00/75/722100075.db2.gz KSMZERJUJOJRAY-SJLPKXTDSA-N 0 3 408.880 3.402 20 0 HGADHN Clc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc12 ZINC001164984273 722103988 /nfs/dbraw/zinc/10/39/88/722103988.db2.gz RUDFFNDYBAKUKF-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984309 722105226 /nfs/dbraw/zinc/10/52/26/722105226.db2.gz SHOUNHBZCJQVLP-JTHBVZDNSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1cnc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164975641 722113073 /nfs/dbraw/zinc/11/30/73/722113073.db2.gz KDMRWLVWCUJOCF-UYAOXDASSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164981082 722113113 /nfs/dbraw/zinc/11/31/13/722113113.db2.gz SKLVFPHLHRQPSB-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN CSc1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980577 722123720 /nfs/dbraw/zinc/12/37/20/722123720.db2.gz RWFXNBCZRWHGTK-NQIIRXRSSA-N 0 3 421.570 3.474 20 0 HGADHN c1csc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164982532 722128076 /nfs/dbraw/zinc/12/80/76/722128076.db2.gz WYVWJZFNFRZKMS-ICSRJNTNSA-N 0 3 407.543 3.327 20 0 HGADHN COc1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974128 722134332 /nfs/dbraw/zinc/13/43/32/722134332.db2.gz CJLGOQXLUZOFCS-NZQKXSOJSA-N 0 3 404.514 3.366 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@@H]3C2)c1 ZINC001164985471 722138449 /nfs/dbraw/zinc/13/84/49/722138449.db2.gz ZPGZUAMJQJUGRO-DHIUTWEWSA-N 0 3 401.514 3.266 20 0 HGADHN COc1cccc2c1ccnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972813 722146801 /nfs/dbraw/zinc/14/68/01/722146801.db2.gz ARYLSBFNYSQPFK-AUSIDOKSSA-N 0 3 404.514 3.366 20 0 HGADHN Fc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985003 722146913 /nfs/dbraw/zinc/14/69/13/722146913.db2.gz YTHHGKZPGLHLBO-NFBKMPQASA-N 0 3 419.504 3.405 20 0 HGADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164983866 722147257 /nfs/dbraw/zinc/14/72/57/722147257.db2.gz VWQMEYOWTNZJAR-TZIWHRDSSA-N 0 3 405.502 3.167 20 0 HGADHN Cc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)o1 ZINC001164974400 722148150 /nfs/dbraw/zinc/14/81/50/722148150.db2.gz DRMFDXAFNSDCAI-KNQAVFIVSA-N 0 3 405.502 3.167 20 0 HGADHN c1cc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cs1 ZINC001164976194 722151974 /nfs/dbraw/zinc/15/19/74/722151974.db2.gz UWJGXGLYAVDELH-GHTZIAJQSA-N 0 3 407.543 3.327 20 0 HGADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cnc(C2OCCO2)s1 ZINC001179277767 1126151889 /nfs/dbraw/zinc/15/18/89/1126151889.db2.gz MXJDMIQFKVYQAW-KRWDZBQOSA-N 0 3 413.337 3.034 20 0 HGADHN OC[C@@H](Cc1ccc(O)cc1)NCc1cccc(Br)c1OC(F)F ZINC001205396909 1126159433 /nfs/dbraw/zinc/15/94/33/1126159433.db2.gz IHHKDCYLJXYFIH-CYBMUJFWSA-N 0 3 402.235 3.449 20 0 HGADHN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751357 1126198963 /nfs/dbraw/zinc/19/89/63/1126198963.db2.gz UCBGRZVZHYRQIV-RTWAWAEBSA-N 0 3 408.464 3.143 20 0 HGADHN CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164664601 719360047 /nfs/dbraw/zinc/36/00/47/719360047.db2.gz OWQBNIMBPSZJFB-UHFFFAOYSA-N 0 3 413.591 3.220 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821836 720391514 /nfs/dbraw/zinc/39/15/14/720391514.db2.gz JGWHCHIKRQDGIA-TUNNFDKTSA-N 0 3 414.575 3.395 20 0 HGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)C1 ZINC001164731481 720436526 /nfs/dbraw/zinc/43/65/26/720436526.db2.gz KWNMNGMOPYWHMW-QIJUGHKUSA-N 0 3 405.546 3.202 20 0 HGADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164745074 720605882 /nfs/dbraw/zinc/60/58/82/720605882.db2.gz UHGKALSVHGOEKF-KGLIPLIRSA-N 0 3 417.300 3.069 20 0 HGADHN COc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2cc(Cl)ccc12 ZINC001164740107 720698153 /nfs/dbraw/zinc/69/81/53/720698153.db2.gz QARIHEZOSRGOIR-HOTGVXAUSA-N 0 3 411.893 3.029 20 0 HGADHN COc1ccc2c(cc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744841 720729891 /nfs/dbraw/zinc/72/98/91/720729891.db2.gz SVWAWJILTFLRJF-DOTOQJQBSA-N 0 3 411.893 3.029 20 0 HGADHN CN(Cc1ccc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1)C1CC1 ZINC001164845173 720778158 /nfs/dbraw/zinc/77/81/58/720778158.db2.gz FIZPNCGBGJYNCC-VJBWXMMDSA-N 0 3 408.546 3.414 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3c3ncccc3CN3CCCC3)O2)nc1 ZINC001164843787 720779517 /nfs/dbraw/zinc/77/95/17/720779517.db2.gz AOXPWPKXCNVCRX-YTFSRNRJSA-N 0 3 408.546 3.416 20 0 HGADHN CCOC(=O)c1cc2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2[nH]1 ZINC001164861832 720950707 /nfs/dbraw/zinc/95/07/07/720950707.db2.gz UKIIEZURLCPQAQ-HNNXBMFYSA-N 0 3 410.522 3.358 20 0 HGADHN CCn1nnc2c1CCN(c1cc(CN(C)C)ccn1)[C@H]2COCc1ccccc1 ZINC001164773462 721049503 /nfs/dbraw/zinc/04/95/03/721049503.db2.gz RZDDRTDZJLFULY-NRFANRHFSA-N 0 3 406.534 3.075 20 0 HGADHN Fc1ccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864385 721082164 /nfs/dbraw/zinc/08/21/64/721082164.db2.gz FRKQEFAOIWQTQP-RTWAWAEBSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1sc2nc(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164865415 721084503 /nfs/dbraw/zinc/08/45/03/721084503.db2.gz LEWUPMXRFNNXDP-OALUTQOASA-N 0 3 409.559 3.491 20 0 HGADHN COc1cccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164867346 721114063 /nfs/dbraw/zinc/11/40/63/721114063.db2.gz YDWJBMQVUDFGES-IFMALSPDSA-N 0 3 417.513 3.027 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(F)cccc54)C[C@@H]3C2)cn1 ZINC001164762523 721118396 /nfs/dbraw/zinc/11/83/96/721118396.db2.gz CSUKKANXOVDZFD-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(F)cccc54)C[C@H]3C2)cn1 ZINC001164762533 721119115 /nfs/dbraw/zinc/11/91/15/721119115.db2.gz CSUKKANXOVDZFD-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc1-2 ZINC001164879498 721125366 /nfs/dbraw/zinc/12/53/66/721125366.db2.gz SVBKQWLEVXOFGW-YADHBBJMSA-N 0 3 413.525 3.117 20 0 HGADHN Fc1cccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164880705 721125975 /nfs/dbraw/zinc/12/59/75/721125975.db2.gz XDODDAXTJKZJNT-TZIWHRDSSA-N 0 3 421.476 3.283 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)Nc5ccccc5)ccn4)C[C@@H]3C2)cn1 ZINC001164773687 721138497 /nfs/dbraw/zinc/13/84/97/721138497.db2.gz YQDJBKALVQWTLY-SFTDATJTSA-N 0 3 416.529 3.026 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)Nc5ccccc5)ccn4)C[C@@H]3C2)cn1 ZINC001164773683 721138812 /nfs/dbraw/zinc/13/88/12/721138812.db2.gz YQDJBKALVQWTLY-RTWAWAEBSA-N 0 3 416.529 3.026 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)C[C@@H]3C2)cn1 ZINC001164774141 721148604 /nfs/dbraw/zinc/14/86/04/721148604.db2.gz ZVHCAJQUQYXCQS-ICSRJNTNSA-N 0 3 414.985 3.023 20 0 HGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2cccs2)n1 ZINC001164872229 721160829 /nfs/dbraw/zinc/16/08/29/721160829.db2.gz HAFILQZRSQZXDM-OALUTQOASA-N 0 3 407.543 3.388 20 0 HGADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2cccs2)n1 ZINC001164872230 721160942 /nfs/dbraw/zinc/16/09/42/721160942.db2.gz HAFILQZRSQZXDM-RBUKOAKNSA-N 0 3 407.543 3.388 20 0 HGADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2cccs2)n1 ZINC001164872231 721161351 /nfs/dbraw/zinc/16/13/51/721161351.db2.gz HAFILQZRSQZXDM-RTBURBONSA-N 0 3 407.543 3.388 20 0 HGADHN Fc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164880688 721163250 /nfs/dbraw/zinc/16/32/50/721163250.db2.gz XCPPNVZLFFQOBP-RTWAWAEBSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164872531 721165078 /nfs/dbraw/zinc/16/50/78/721165078.db2.gz HJYLABLMZMHGHP-FGZHOGPDSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871658 721183073 /nfs/dbraw/zinc/18/30/73/721183073.db2.gz GDYUQSYLMTYNPP-FGZHOGPDSA-N 0 3 419.504 3.466 20 0 HGADHN Fc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccsc1 ZINC001164870289 721184869 /nfs/dbraw/zinc/18/48/69/721184869.db2.gz CJBNUGFBCGWHPA-ZWKOTPCHSA-N 0 3 411.506 3.219 20 0 HGADHN Cc1c(Cl)nc(C2CCC2)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164767143 721238211 /nfs/dbraw/zinc/23/82/11/721238211.db2.gz VXDQUJOXNAIMLH-ROUUACIJSA-N 0 3 400.958 3.398 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878085 721259250 /nfs/dbraw/zinc/25/92/50/721259250.db2.gz SCSWKJQIZGQMAF-QPPBQGQZSA-N 0 3 408.546 3.091 20 0 HGADHN Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164777038 721326830 /nfs/dbraw/zinc/32/68/30/721326830.db2.gz KONNFODCRGETOJ-LJQANCHMSA-N 0 3 412.509 3.418 20 0 HGADHN O=C(c1cscn1)N1CCC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164877817 721329658 /nfs/dbraw/zinc/32/96/58/721329658.db2.gz XIPFVJUXSOBQSC-UHFFFAOYSA-N 0 3 411.575 3.267 20 0 HGADHN CN(Cc1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1)C1CC1 ZINC001164780952 721441696 /nfs/dbraw/zinc/44/16/96/721441696.db2.gz DDDCENLQHSAECU-QFIPXVFZSA-N 0 3 418.545 3.125 20 0 HGADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896896 721509854 /nfs/dbraw/zinc/50/98/54/721509854.db2.gz CAXBLMZKZXVFDN-OCCSQVGLSA-N 0 3 405.836 3.231 20 0 HGADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCCC1 ZINC001164900670 721513655 /nfs/dbraw/zinc/51/36/55/721513655.db2.gz SRCOQDTZRRCSOX-PZJWPPBQSA-N 0 3 424.520 3.189 20 0 HGADHN CCOC(=O)/C=C/c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907326 721543352 /nfs/dbraw/zinc/54/33/52/721543352.db2.gz MYCYVWHPCNUXGM-LACOWATDSA-N 0 3 411.477 3.139 20 0 HGADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903474 721545839 /nfs/dbraw/zinc/54/58/39/721545839.db2.gz CWXFKZIINIJVAT-QUCCMNQESA-N 0 3 412.509 3.091 20 0 HGADHN CCOC(=O)c1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908237 721697951 /nfs/dbraw/zinc/69/79/51/721697951.db2.gz YDMRXFQYQDSNLC-OAQYLSRUSA-N 0 3 416.472 3.391 20 0 HGADHN CC(=O)Nc1c(C)ccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904846 721720856 /nfs/dbraw/zinc/72/08/56/721720856.db2.gz DKHQLVHFUJFYFF-NRFANRHFSA-N 0 3 415.488 3.481 20 0 HGADHN CN(Cc1ccc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1)C1CC1 ZINC001164916698 721811066 /nfs/dbraw/zinc/81/10/66/721811066.db2.gz ITXWOPNJKNJTLN-LQBOVUBWSA-N 0 3 414.575 3.333 20 0 HGADHN CCN(C)c1cc(C)nc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165017178 721837585 /nfs/dbraw/zinc/83/75/85/721837585.db2.gz IKZUHDZZYRKEAO-UHFFFAOYSA-N 0 3 413.566 3.359 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN(C)C4CC4)cn3)C[C@H]12 ZINC001164947818 721967682 /nfs/dbraw/zinc/96/76/82/721967682.db2.gz RNIUQHIOUGNEQR-UKILVPOCSA-N 0 3 404.558 3.445 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]21 ZINC001164985851 722098228 /nfs/dbraw/zinc/09/82/28/722098228.db2.gz XFFVRTQIIRDTCB-MQSCRBSSSA-N 0 3 405.546 3.222 20 0 HGADHN c1ccc(-c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984718 722104939 /nfs/dbraw/zinc/10/49/39/722104939.db2.gz UEBFQJKJTJFHRQ-FCHUYYIVSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164977269 722106073 /nfs/dbraw/zinc/10/60/73/722106073.db2.gz FNLXKACDCJSQBV-FXAWDEMLSA-N 0 3 413.953 3.131 20 0 HGADHN Clc1cccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164983504 722106558 /nfs/dbraw/zinc/10/65/58/722106558.db2.gz QNJNVRYHKZSXRX-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN COc1cccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980107 722106851 /nfs/dbraw/zinc/10/68/51/722106851.db2.gz JIRMJFIYVWCAKC-RBBKRZOGSA-N 0 3 404.514 3.366 20 0 HGADHN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978309 722108556 /nfs/dbraw/zinc/10/85/56/722108556.db2.gz OKKUUVULGLIBMY-WMZOPIPTSA-N 0 3 424.879 3.282 20 0 HGADHN CCc1cc2c(ncnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977402 722115878 /nfs/dbraw/zinc/11/58/78/722115878.db2.gz NASISJQHKTZNKT-XLIONFOSSA-N 0 3 409.559 3.376 20 0 HGADHN CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980510 722117343 /nfs/dbraw/zinc/11/73/43/722117343.db2.gz RNENCRWYTDYVPZ-RTWAWAEBSA-N 0 3 424.545 3.159 20 0 HGADHN COc1ccc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980963 722132054 /nfs/dbraw/zinc/13/20/54/722132054.db2.gz OGLNRLBBEMEMMR-NZQKXSOJSA-N 0 3 404.514 3.366 20 0 HGADHN COc1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974131 722134247 /nfs/dbraw/zinc/13/42/47/722134247.db2.gz CJLGOQXLUZOFCS-OFNKIYASSA-N 0 3 404.514 3.366 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164980366 722139077 /nfs/dbraw/zinc/13/90/77/722139077.db2.gz NFSIRPJQQMFSEX-PKOBYXMFSA-N 0 3 421.570 3.302 20 0 HGADHN c1ccc(-c2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164978016 722140497 /nfs/dbraw/zinc/14/04/97/722140497.db2.gz JDTVVWJOZZOWFH-FYYLOGMGSA-N 0 3 401.514 3.266 20 0 HGADHN Fc1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164984624 722144895 /nfs/dbraw/zinc/14/48/95/722144895.db2.gz XXBFVXASIFJYAM-NZQKXSOJSA-N 0 3 419.504 3.405 20 0 HGADHN CSc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164972562 722154006 /nfs/dbraw/zinc/15/40/06/722154006.db2.gz IKCCJTLQNCHQCS-PGRDOPGGSA-N 0 3 421.570 3.474 20 0 HGADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164994970 722193162 /nfs/dbraw/zinc/19/31/62/722193162.db2.gz RDDHBPWZUKNLKW-DEOSSOPVSA-N 0 3 410.537 3.298 20 0 HGADHN O=c1[nH]ccc2oc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)cc21 ZINC001179146620 1126151367 /nfs/dbraw/zinc/15/13/67/1126151367.db2.gz AVMIHUBEVJEJFG-IBGZPJMESA-N 0 3 403.276 3.306 20 0 HGADHN Cc1cccc2nc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)cn21 ZINC001307928322 1126162075 /nfs/dbraw/zinc/16/20/75/1126162075.db2.gz KZNPKGXNZNYRNE-FQEVSTJZSA-N 0 3 400.320 3.415 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(CCc3ccccc3)s2)[C@H](O)C1 ZINC001308496154 1126167609 /nfs/dbraw/zinc/16/76/09/1126167609.db2.gz QIPRCIABKJTMJS-RBUKOAKNSA-N 0 3 417.575 3.388 20 0 HGADHN COc1ccc2nc(CN[C@@](C)(CO)Cc3ccc(OC)c(OC)c3)sc2c1 ZINC001461738537 1126197002 /nfs/dbraw/zinc/19/70/02/1126197002.db2.gz YORWQWAJLBPEFO-OAQYLSRUSA-N 0 3 402.516 3.405 20 0 HGADHN COC1(c2nc(C3CCOCC3)no2)CCN(C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000583615845 560776313 /nfs/dbraw/zinc/77/63/13/560776313.db2.gz CLTNMLGHWLTRAA-HXUWFJFHSA-N 0 3 415.534 3.252 20 0 HGADHN CN1C(=O)C[C@@H](CNCc2cccnc2Cl)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000583623031 560776430 /nfs/dbraw/zinc/77/64/30/560776430.db2.gz LTYXFXZPLCPCAK-MGPUTAFESA-N 0 3 413.884 3.369 20 0 HGADHN CCOc1c(Br)cc(CNCCN2CCOCC2)cc1Br ZINC000020477796 560884604 /nfs/dbraw/zinc/88/46/04/560884604.db2.gz DIZKECJGHQGUJW-UHFFFAOYSA-N 0 3 422.161 3.032 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(C)cc(Cl)n3)CC2)CC1 ZINC001164613736 719022119 /nfs/dbraw/zinc/02/21/19/719022119.db2.gz BDUADCSIYDVJDX-UHFFFAOYSA-N 0 3 416.900 3.227 20 0 HGADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164726647 720341195 /nfs/dbraw/zinc/34/11/95/720341195.db2.gz QTIUWCQPZBUDMP-VQTJNVASSA-N 0 3 403.486 3.055 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164825796 720392029 /nfs/dbraw/zinc/39/20/29/720392029.db2.gz VIGJJECOEFKKEN-VWPQPMDRSA-N 0 3 414.575 3.394 20 0 HGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164731322 720396583 /nfs/dbraw/zinc/39/65/83/720396583.db2.gz ZCBVOBMYAUTLJQ-RTBURBONSA-N 0 3 413.953 3.465 20 0 HGADHN COc1cccc2c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)cc(Cl)nc12 ZINC001164743751 720607050 /nfs/dbraw/zinc/60/70/50/720607050.db2.gz QKMRAPJLWLSNOI-LSDHHAIUSA-N 0 3 411.893 3.029 20 0 HGADHN COc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2cc(Cl)ccc12 ZINC001164740108 720696829 /nfs/dbraw/zinc/69/68/29/720696829.db2.gz QARIHEZOSRGOIR-HZPDHXFCSA-N 0 3 411.893 3.029 20 0 HGADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@@]2(C(=O)NCCc2ccccc2)C1 ZINC001164853655 720817520 /nfs/dbraw/zinc/81/75/20/720817520.db2.gz RJVPNNQDSITKAF-XXBNENTESA-N 0 3 413.949 3.277 20 0 HGADHN Cc1cccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866001 721083878 /nfs/dbraw/zinc/08/38/78/721083878.db2.gz QXEGMOWBYNGUMF-ZWKOTPCHSA-N 0 3 409.921 3.466 20 0 HGADHN Fc1cccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164880703 721125351 /nfs/dbraw/zinc/12/53/51/721125351.db2.gz XDODDAXTJKZJNT-FPOVZHCZSA-N 0 3 421.476 3.283 20 0 HGADHN CC(C)(C)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872620 721127815 /nfs/dbraw/zinc/12/78/15/721127815.db2.gz HXWHLZCVOXFKNA-SJORKVTESA-N 0 3 401.942 3.302 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)Nc5ccccc5)ccn4)C[C@H]3C2)cn1 ZINC001164773679 721138852 /nfs/dbraw/zinc/13/88/52/721138852.db2.gz YQDJBKALVQWTLY-NHCUHLMSSA-N 0 3 416.529 3.026 20 0 HGADHN COc1ccc(-c2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164877017 721154161 /nfs/dbraw/zinc/15/41/61/721154161.db2.gz NWKJAFIURWEICN-IFMALSPDSA-N 0 3 417.513 3.027 20 0 HGADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880737 721182787 /nfs/dbraw/zinc/18/27/87/721182787.db2.gz XJLHLSBQYMOXNE-RTBURBONSA-N 0 3 422.920 3.067 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@H]3C2)cn1 ZINC001164762040 721190408 /nfs/dbraw/zinc/19/04/08/721190408.db2.gz CCTAQZYGCRCHOB-UONOGXRCSA-N 0 3 418.332 3.023 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4OCc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164770879 721213577 /nfs/dbraw/zinc/21/35/77/721213577.db2.gz PALARRALXAMTLW-LEWJYISDSA-N 0 3 421.520 3.492 20 0 HGADHN COc1ccc2cnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc2c1 ZINC001164894938 721425674 /nfs/dbraw/zinc/42/56/74/721425674.db2.gz NOSRTIFNERBKRT-UPVQGACJSA-N 0 3 410.562 3.009 20 0 HGADHN CN(Cc1ccc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164897012 721475918 /nfs/dbraw/zinc/47/59/18/721475918.db2.gz ZLLUETDLSAUSTR-DEOSSOPVSA-N 0 3 405.546 3.232 20 0 HGADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900770 721509641 /nfs/dbraw/zinc/50/96/41/721509641.db2.gz UPMJXLAHOJDIBS-RDJZCZTQSA-N 0 3 419.884 3.393 20 0 HGADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900660 721514331 /nfs/dbraw/zinc/51/43/31/721514331.db2.gz SORNLRDCRBXZTC-DOTOQJQBSA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1cc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901430 721520724 /nfs/dbraw/zinc/52/07/24/721520724.db2.gz XEWUYJGOTCXPSQ-WBVHZDCISA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)c5c4CCCC5)CCN3C2)c1 ZINC001164903491 721530127 /nfs/dbraw/zinc/53/01/27/721530127.db2.gz CZPYLHOLKLCNHH-WBVHZDCISA-N 0 3 402.901 3.490 20 0 HGADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904719 721534635 /nfs/dbraw/zinc/53/46/35/721534635.db2.gz GBYGUXCSQMWERI-AZUAARDMSA-N 0 3 412.509 3.091 20 0 HGADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902669 721541412 /nfs/dbraw/zinc/54/14/12/721541412.db2.gz AWMJRDQWTQMBSY-ICSRJNTNSA-N 0 3 421.476 3.028 20 0 HGADHN CC1CCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164911666 721554966 /nfs/dbraw/zinc/55/49/66/721554966.db2.gz ZKJCFWBXWLRIKU-TZIWHRDSSA-N 0 3 411.525 3.194 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164903542 721559968 /nfs/dbraw/zinc/55/99/68/721559968.db2.gz CCYWJVDAFZZQBQ-PZJWPPBQSA-N 0 3 411.525 3.338 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164910447 721562892 /nfs/dbraw/zinc/56/28/92/721562892.db2.gz WZIMIDPETLMIQL-ICSRJNTNSA-N 0 3 421.476 3.490 20 0 HGADHN CCCSc1ncnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164904212 721566217 /nfs/dbraw/zinc/56/62/17/721566217.db2.gz DJIZPNFNEZLRPQ-SJLPKXTDSA-N 0 3 418.538 3.468 20 0 HGADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@H]12 ZINC001164943757 721968025 /nfs/dbraw/zinc/96/80/25/721968025.db2.gz GFRCETMAQLSHSN-ZCYQVOJMSA-N 0 3 404.558 3.446 20 0 HGADHN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2cc(CN(C)C)ccn2)C3)n1 ZINC001164962724 722027427 /nfs/dbraw/zinc/02/74/27/722027427.db2.gz ROBZAFYRYYSJSJ-UPVQGACJSA-N 0 3 410.562 3.439 20 0 HGADHN FC(F)(c1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981346 722098684 /nfs/dbraw/zinc/09/86/84/722098684.db2.gz LDPSFBSEVXSMBQ-AEFFLSMTSA-N 0 3 408.880 3.402 20 0 HGADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164977272 722106295 /nfs/dbraw/zinc/10/62/95/722106295.db2.gz FNLXKACDCJSQBV-XLIONFOSSA-N 0 3 413.953 3.131 20 0 HGADHN Clc1cccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983506 722106707 /nfs/dbraw/zinc/10/67/07/722106707.db2.gz QNJNVRYHKZSXRX-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978306 722108821 /nfs/dbraw/zinc/10/88/21/722108821.db2.gz OKKUUVULGLIBMY-SJLPKXTDSA-N 0 3 424.879 3.282 20 0 HGADHN Clc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2c1CCCC2 ZINC001164970860 722112721 /nfs/dbraw/zinc/11/27/21/722112721.db2.gz AAQIZFWVPWVFFF-XLIONFOSSA-N 0 3 413.953 3.131 20 0 HGADHN CCc1nc2sccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980959 722150496 /nfs/dbraw/zinc/15/04/96/722150496.db2.gz OFZWXTHKQZPEDM-PKOBYXMFSA-N 0 3 409.559 3.376 20 0 HGADHN CSc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164972554 722154230 /nfs/dbraw/zinc/15/42/30/722154230.db2.gz IKCCJTLQNCHQCS-AVRDEDQJSA-N 0 3 421.570 3.474 20 0 HGADHN CCc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nc1C ZINC001164977118 722157423 /nfs/dbraw/zinc/15/74/23/722157423.db2.gz XDOOGRVXRNEYKK-PKOBYXMFSA-N 0 3 401.942 3.123 20 0 HGADHN COc1cc(C)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977127 722158621 /nfs/dbraw/zinc/15/86/21/722158621.db2.gz XGNKTHHMCOIOAQ-UGKGYDQZSA-N 0 3 419.529 3.069 20 0 HGADHN OC[C@]1(NCc2cc(C(F)(F)F)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001179146684 1126151392 /nfs/dbraw/zinc/15/13/92/1126151392.db2.gz BKXNKJHQRSISKO-HNNXBMFYSA-N 0 3 404.230 3.201 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2cc(C)c(Br)cn2)cc1OC ZINC001203581585 1126159025 /nfs/dbraw/zinc/15/90/25/1126159025.db2.gz PSHCJXLSMDUMOR-LJQANCHMSA-N 0 3 409.324 3.253 20 0 HGADHN Cc1c(-c2cc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)on2)cnn1C ZINC001198217755 1126154643 /nfs/dbraw/zinc/15/46/43/1126154643.db2.gz AQWGYUMEEGONKQ-LJQANCHMSA-N 0 3 419.323 3.229 20 0 HGADHN CCOC(=O)c1ncc(CN[C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001460872204 1126193175 /nfs/dbraw/zinc/19/31/75/1126193175.db2.gz UMOSRKJAKOIVBU-KRWDZBQOSA-N 0 3 413.337 3.166 20 0 HGADHN CCc1oc(C(=O)OC)cc1CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001473641119 1126198124 /nfs/dbraw/zinc/19/81/24/1126198124.db2.gz GADZFLSIOLPNOM-FQEVSTJZSA-N 0 3 422.319 3.401 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2ccccc2I)cc1 ZINC001461733978 1126196749 /nfs/dbraw/zinc/19/67/49/1126196749.db2.gz BAXXLVRVFNRLLE-GOSISDBHSA-N 0 3 411.283 3.383 20 0 HGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)CC1 ZINC001164617559 719028122 /nfs/dbraw/zinc/02/81/22/719028122.db2.gz ONHCMINXUDAQMB-UHFFFAOYSA-N 0 3 416.900 3.106 20 0 HGADHN CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725352 720385764 /nfs/dbraw/zinc/38/57/64/720385764.db2.gz MTGQAMCJLNXUQJ-RTWAWAEBSA-N 0 3 403.486 3.055 20 0 HGADHN CN(C)c1ccc(-c2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164732822 720421324 /nfs/dbraw/zinc/42/13/24/720421324.db2.gz OINXKEGMBDRKQV-XZOQPEGZSA-N 0 3 400.530 3.458 20 0 HGADHN CC1CCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CC1 ZINC001164734523 720436414 /nfs/dbraw/zinc/43/64/14/720436414.db2.gz SYKTXNDIVCFIFE-VXKWHMMOSA-N 0 3 405.546 3.202 20 0 HGADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742030 720682466 /nfs/dbraw/zinc/68/24/66/720682466.db2.gz VLTQBIZZYKXHFY-CHWSQXEVSA-N 0 3 417.300 3.069 20 0 HGADHN COc1cc2cnc(Cl)cc2cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749822 720807539 /nfs/dbraw/zinc/80/75/39/720807539.db2.gz UPKWFEQHBRGWQG-DLBZAZTESA-N 0 3 411.893 3.029 20 0 HGADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869564 721057021 /nfs/dbraw/zinc/05/70/21/721057021.db2.gz UHWCUCKUBBDTHD-RBUKOAKNSA-N 0 3 422.920 3.067 20 0 HGADHN c1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868812 721066376 /nfs/dbraw/zinc/06/63/76/721066376.db2.gz QRKSRRTVAUPFAW-FPOVZHCZSA-N 0 3 403.486 3.144 20 0 HGADHN Cc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866577 721072954 /nfs/dbraw/zinc/07/29/54/721072954.db2.gz FRKOQZOTJDTGIV-ZWKOTPCHSA-N 0 3 409.921 3.466 20 0 HGADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164866967 721081403 /nfs/dbraw/zinc/08/14/03/721081403.db2.gz VRXLBUUMFSVPSS-QZTJIDSGSA-N 0 3 413.953 3.274 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766623 721086848 /nfs/dbraw/zinc/08/68/48/721086848.db2.gz KYSNERGQJCIDDL-RBUKOAKNSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164773260 721120919 /nfs/dbraw/zinc/12/09/19/721120919.db2.gz XOASRQFQZMHGJK-IRXDYDNUSA-N 0 3 400.958 3.091 20 0 HGADHN Fc1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871076 721160867 /nfs/dbraw/zinc/16/08/67/721160867.db2.gz DHVWITMWQXVJGS-TZIWHRDSSA-N 0 3 421.476 3.283 20 0 HGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164875294 721161520 /nfs/dbraw/zinc/16/15/20/721161520.db2.gz KTQCVGRJUYTFEF-UXHICEINSA-N 0 3 407.543 3.388 20 0 HGADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164878980 721168983 /nfs/dbraw/zinc/16/89/83/721168983.db2.gz RDHUHKQGKVBLLR-IAGOWNOFSA-N 0 3 413.884 3.297 20 0 HGADHN CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771441 721185493 /nfs/dbraw/zinc/18/54/93/721185493.db2.gz PVBLRPXTMJMCMD-SJORKVTESA-N 0 3 413.957 3.357 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4c(F)ccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164764883 721243693 /nfs/dbraw/zinc/24/36/93/721243693.db2.gz QIIOSFGVGYSOLM-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896897 721510303 /nfs/dbraw/zinc/51/03/03/721510303.db2.gz CAXBLMZKZXVFDN-TZMCWYRMSA-N 0 3 405.836 3.231 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CSC5)CCN3C2)c1 ZINC001164901621 721524148 /nfs/dbraw/zinc/52/41/48/721524148.db2.gz XTMLLXBEJAVHFX-DZGCQCFKSA-N 0 3 406.914 3.358 20 0 HGADHN COC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164906362 721532229 /nfs/dbraw/zinc/53/22/29/721532229.db2.gz KDDJYQZDBFGJLH-GOEBONIOSA-N 0 3 405.857 3.003 20 0 HGADHN FC1(F)CCN(c2nccc(N3CCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905135 721582671 /nfs/dbraw/zinc/58/26/71/721582671.db2.gz SPHIEJASABZIEE-OAQYLSRUSA-N 0 3 414.504 3.210 20 0 HGADHN COCOc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908736 721706721 /nfs/dbraw/zinc/70/67/21/721706721.db2.gz YVAZSYSSAVVALW-HXUWFJFHSA-N 0 3 404.461 3.197 20 0 HGADHN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1NCC1CC1 ZINC001164959619 722052011 /nfs/dbraw/zinc/05/20/11/722052011.db2.gz NANJBKZHDDCLDT-UHFFFAOYSA-N 0 3 422.577 3.121 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164979124 722098017 /nfs/dbraw/zinc/09/80/17/722098017.db2.gz HDVWHBIWZCWJTF-FUPPJEDESA-N 0 3 405.546 3.223 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]21 ZINC001164985854 722098108 /nfs/dbraw/zinc/09/81/08/722098108.db2.gz XFFVRTQIIRDTCB-QNWVGRARSA-N 0 3 405.546 3.222 20 0 HGADHN Clc1ccnc2c1ccnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975478 722104724 /nfs/dbraw/zinc/10/47/24/722104724.db2.gz BZHNETSATLJWKM-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985711 722105531 /nfs/dbraw/zinc/10/55/31/722105531.db2.gz WGTJXLIJJFZDAL-IRXDYDNUSA-N 0 3 423.895 3.106 20 0 HGADHN Clc1cnc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c1 ZINC001164975634 722112636 /nfs/dbraw/zinc/11/26/36/722112636.db2.gz KDMRWLVWCUJOCF-ICSRJNTNSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc2n1 ZINC001164979166 722122375 /nfs/dbraw/zinc/12/23/75/722122375.db2.gz PJXQEVRHFQIUAQ-QUCCMNQESA-N 0 3 409.921 3.406 20 0 HGADHN COc1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164975122 722126701 /nfs/dbraw/zinc/12/67/01/722126701.db2.gz JSRICIXEIPKPEU-REWPJTCUSA-N 0 3 404.514 3.366 20 0 HGADHN COc1ccc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980965 722132428 /nfs/dbraw/zinc/13/24/28/722132428.db2.gz OGLNRLBBEMEMMR-OFNKIYASSA-N 0 3 404.514 3.366 20 0 HGADHN CC(C)n1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978883 722136777 /nfs/dbraw/zinc/13/67/77/722136777.db2.gz KHWUULDLYNDEBK-FPOVZHCZSA-N 0 3 406.534 3.135 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@@H]3C2)c1 ZINC001164980363 722138854 /nfs/dbraw/zinc/13/88/54/722138854.db2.gz NFSIRPJQQMFSEX-IEBWSBKVSA-N 0 3 421.570 3.302 20 0 HGADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164983864 722147248 /nfs/dbraw/zinc/14/72/48/722147248.db2.gz VWQMEYOWTNZJAR-PZJWPPBQSA-N 0 3 405.502 3.167 20 0 HGADHN OC[C@@]1(NCc2cc(C(F)(F)F)n[nH]2)CCc2cc(Br)ccc2C1 ZINC001179146687 1126151346 /nfs/dbraw/zinc/15/13/46/1126151346.db2.gz BKXNKJHQRSISKO-OAHLLOKOSA-N 0 3 404.230 3.201 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2cnc(CC(F)(F)F)s2)cc1OC ZINC001179520030 1126152394 /nfs/dbraw/zinc/15/23/94/1126152394.db2.gz HGCFWHKBYXINEV-QGZVFWFLSA-N 0 3 404.454 3.348 20 0 HGADHN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164389372 718825419 /nfs/dbraw/zinc/82/54/19/718825419.db2.gz HZNDTRQILVSFPR-ZWKOTPCHSA-N 0 3 409.864 3.426 20 0 HGADHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164429428 718954438 /nfs/dbraw/zinc/95/44/38/718954438.db2.gz PHVAQSRZUWOJGA-QFIPXVFZSA-N 0 3 422.573 3.145 20 0 HGADHN NC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626577 719055766 /nfs/dbraw/zinc/05/57/66/719055766.db2.gz SFZDTRFCUXHOAL-RDJZCZTQSA-N 0 3 420.891 3.480 20 0 HGADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164631687 719093955 /nfs/dbraw/zinc/09/39/55/719093955.db2.gz ZCRFENRSUBQYKN-MAUKXSAKSA-N 0 3 420.891 3.480 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)ncc2Cl)c2c1CCNC2 ZINC001164685036 719612910 /nfs/dbraw/zinc/61/29/10/719612910.db2.gz QFYHBEPIHHAHGU-UHFFFAOYSA-N 0 3 405.280 3.063 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164685021 719716252 /nfs/dbraw/zinc/71/62/52/719716252.db2.gz QAGCMZCAUBWLAR-UHFFFAOYSA-N 0 3 408.333 3.117 20 0 HGADHN CN(Cc1ccc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)nc1)C1CC1 ZINC001164696976 719836925 /nfs/dbraw/zinc/83/69/25/719836925.db2.gz VUVAGOWPRCDKDM-UHFFFAOYSA-N 0 3 406.530 3.078 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(CN(C)C3CC3)cn2)cs1 ZINC001164816037 720259629 /nfs/dbraw/zinc/25/96/29/720259629.db2.gz FOTVAYGUBNJJJB-UXHICEINSA-N 0 3 411.575 3.211 20 0 HGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164731318 720395542 /nfs/dbraw/zinc/39/55/42/720395542.db2.gz ZCBVOBMYAUTLJQ-RBUKOAKNSA-N 0 3 413.953 3.465 20 0 HGADHN Clc1ccc(CN2CCCC2)c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164727998 720570676 /nfs/dbraw/zinc/57/06/76/720570676.db2.gz GZLHYSQVDKTXNQ-UHFFFAOYSA-N 0 3 414.985 3.186 20 0 HGADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742032 720681525 /nfs/dbraw/zinc/68/15/25/720681525.db2.gz VLTQBIZZYKXHFY-QWHCGFSZSA-N 0 3 417.300 3.069 20 0 HGADHN c1ccc(CO[C@@H]2CO[C@@]3(C2)CCCN(c2ncccc2CN2CCCC2)C3)nc1 ZINC001164762306 721031966 /nfs/dbraw/zinc/03/19/66/721031966.db2.gz HNWDODDDOXOJIK-LADGPHEKSA-N 0 3 408.546 3.417 20 0 HGADHN Fc1cccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164880702 721126528 /nfs/dbraw/zinc/12/65/28/721126528.db2.gz XDODDAXTJKZJNT-CTNGQTDRSA-N 0 3 421.476 3.283 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(-c5cccc(Cl)n5)n4)C[C@H]3C2)cn1 ZINC001164770589 721136970 /nfs/dbraw/zinc/13/69/70/721136970.db2.gz RBYZKEKVQINFTO-QZTJIDSGSA-N 0 3 408.937 3.489 20 0 HGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164870245 721140107 /nfs/dbraw/zinc/14/01/07/721140107.db2.gz CAMNNGDAKQUJSU-IFMALSPDSA-N 0 3 417.513 3.027 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771342 721144258 /nfs/dbraw/zinc/14/42/58/721144258.db2.gz SGJFEEGYZVNDSB-MOPGFXCFSA-N 0 3 405.550 3.238 20 0 HGADHN CCOc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164770103 721217849 /nfs/dbraw/zinc/21/78/49/721217849.db2.gz NBCPWSSIWJCMJX-SFTDATJTSA-N 0 3 418.545 3.234 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164889256 721395447 /nfs/dbraw/zinc/39/54/47/721395447.db2.gz LHQGQPSLLBPNPS-ZJSXRUAMSA-N 0 3 410.562 3.009 20 0 HGADHN COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)cc(C)c2c1 ZINC001164893016 721412058 /nfs/dbraw/zinc/41/20/58/721412058.db2.gz ZVXZWKVQNNHBNI-PXDATVDWSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2cnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)cc2c1 ZINC001164894936 721425397 /nfs/dbraw/zinc/42/53/97/721425397.db2.gz NOSRTIFNERBKRT-ISKFKSNPSA-N 0 3 410.562 3.009 20 0 HGADHN COc1cc2ncc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2cc1OC ZINC001164905201 721531012 /nfs/dbraw/zinc/53/10/12/721531012.db2.gz GNPSHJCHAWJTJF-FUHWJXTLSA-N 0 3 424.476 3.128 20 0 HGADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c(OC)c1 ZINC001164903455 721538065 /nfs/dbraw/zinc/53/80/65/721538065.db2.gz CRPOTYRRGPBHER-VQIMIIECSA-N 0 3 424.476 3.128 20 0 HGADHN CSc1nc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2s1 ZINC001164909325 721545308 /nfs/dbraw/zinc/54/53/08/721545308.db2.gz RLAYZLUSALVLOV-DZGCQCFKSA-N 0 3 417.535 3.289 20 0 HGADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903475 721546354 /nfs/dbraw/zinc/54/63/54/721546354.db2.gz CWXFKZIINIJVAT-UYAOXDASSA-N 0 3 412.509 3.091 20 0 HGADHN CCOC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164902979 721547364 /nfs/dbraw/zinc/54/73/64/721547364.db2.gz BPDYEWRHLJPOAB-DOTOQJQBSA-N 0 3 419.884 3.393 20 0 HGADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909711 721558138 /nfs/dbraw/zinc/55/81/38/721558138.db2.gz UPMBTXSAPYDAQD-PZJWPPBQSA-N 0 3 405.477 3.328 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(C)nc2c1 ZINC001164910346 721558743 /nfs/dbraw/zinc/55/87/43/721558743.db2.gz WJHBFNMACODGLV-XLIONFOSSA-N 0 3 408.477 3.428 20 0 HGADHN CSc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164907225 721566311 /nfs/dbraw/zinc/56/63/11/721566311.db2.gz MWLAYWIKSNVDQC-GDBMZVCRSA-N 0 3 406.552 3.401 20 0 HGADHN CN(Cc1ccc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1)C1CC1 ZINC001164916707 721811161 /nfs/dbraw/zinc/81/11/61/721811161.db2.gz ITXWOPNJKNJTLN-ZWCUEREDSA-N 0 3 414.575 3.333 20 0 HGADHN COc1ccc(Cn2cc3[nH]c(N4CCN(C5CCCC5)CC4)ccc-3c2=O)cc1 ZINC001165032290 721859121 /nfs/dbraw/zinc/85/91/21/721859121.db2.gz PTKAGYBVGKZEDE-UHFFFAOYSA-N 0 3 406.530 3.311 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]12 ZINC001164947816 721967735 /nfs/dbraw/zinc/96/77/35/721967735.db2.gz RNIUQHIOUGNEQR-ILBGXUMGSA-N 0 3 404.558 3.445 20 0 HGADHN Cc1[nH]c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1C ZINC001164963930 722056926 /nfs/dbraw/zinc/05/69/26/722056926.db2.gz PUUGKOOOSCQUSP-UHFFFAOYSA-N 0 3 406.534 3.089 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164982831 722098374 /nfs/dbraw/zinc/09/83/74/722098374.db2.gz PGFSUGFPUQYNCQ-YPAWHYETSA-N 0 3 405.546 3.223 20 0 HGADHN Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985705 722105592 /nfs/dbraw/zinc/10/55/92/722105592.db2.gz WGTJXLIJJFZDAL-IAGOWNOFSA-N 0 3 423.895 3.106 20 0 HGADHN Clc1cccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981613 722106299 /nfs/dbraw/zinc/10/62/99/722106299.db2.gz LTMDNGATOPXPNO-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN Cc1nc2ccc(F)cc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984673 722107825 /nfs/dbraw/zinc/10/78/25/722107825.db2.gz TWXHELHCSBGPOQ-XMSQKQJNSA-N 0 3 407.493 3.200 20 0 HGADHN Cc1nc2ccc(F)cc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984672 722108048 /nfs/dbraw/zinc/10/80/48/722108048.db2.gz TWXHELHCSBGPOQ-PGRDOPGGSA-N 0 3 407.493 3.200 20 0 HGADHN Clc1ncnc2scc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164974091 722110548 /nfs/dbraw/zinc/11/05/48/722110548.db2.gz ILJLCQFZKBKCNA-WBVHZDCISA-N 0 3 415.950 3.467 20 0 HGADHN Clc1ccnc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc12 ZINC001164978362 722127694 /nfs/dbraw/zinc/12/76/94/722127694.db2.gz OMNLZPWNSWMVHC-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN c1csc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164982537 722128278 /nfs/dbraw/zinc/12/82/78/722128278.db2.gz WYVWJZFNFRZKMS-UYAOXDASSA-N 0 3 407.543 3.327 20 0 HGADHN CCCN(CCC)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164975197 722131640 /nfs/dbraw/zinc/13/16/40/722131640.db2.gz FNBQVZQZRGRNNN-YADHBBJMSA-N 0 3 424.593 3.225 20 0 HGADHN Clc1ccnc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164978087 722135625 /nfs/dbraw/zinc/13/56/25/722135625.db2.gz JQUUOAADWVJPOI-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc(-c2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164978018 722140613 /nfs/dbraw/zinc/14/06/13/722140613.db2.gz JDTVVWJOZZOWFH-GGAORHGYSA-N 0 3 401.514 3.266 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971195 722153863 /nfs/dbraw/zinc/15/38/63/722153863.db2.gz BCMJXPGGJVTUHP-GCJKJVERSA-N 0 3 403.530 3.174 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971192 722153985 /nfs/dbraw/zinc/15/39/85/722153985.db2.gz BCMJXPGGJVTUHP-AVRDEDQJSA-N 0 3 403.530 3.174 20 0 HGADHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1ccccc1I ZINC000734845547 1126106816 /nfs/dbraw/zinc/10/68/16/1126106816.db2.gz SGUXAQYVKCAWAI-OAHLLOKOSA-N 0 3 406.267 3.466 20 0 HGADHN Cc1c(-c2cc(CN[C@](C)(CO)Cc3ccc(Br)cc3)on2)cnn1C ZINC001198217751 1126154525 /nfs/dbraw/zinc/15/45/25/1126154525.db2.gz AQWGYUMEEGONKQ-IBGZPJMESA-N 0 3 419.323 3.229 20 0 HGADHN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164389366 718825364 /nfs/dbraw/zinc/82/53/64/718825364.db2.gz HZNDTRQILVSFPR-MSOLQXFVSA-N 0 3 409.864 3.426 20 0 HGADHN c1ccc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726271 720429448 /nfs/dbraw/zinc/42/94/48/720429448.db2.gz BFVUUKOUTPOMJL-FGZHOGPDSA-N 0 3 400.530 3.478 20 0 HGADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c21 ZINC001164742437 720596629 /nfs/dbraw/zinc/59/66/29/720596629.db2.gz NGJSLTOEBJQUMY-UHFFFAOYSA-N 0 3 405.481 3.105 20 0 HGADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737953 720696059 /nfs/dbraw/zinc/69/60/59/720696059.db2.gz HWMBHCURWKQZQC-QWHCGFSZSA-N 0 3 417.300 3.069 20 0 HGADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164742940 720783161 /nfs/dbraw/zinc/78/31/61/720783161.db2.gz PQYOINHLSFGUGW-VQTJNVASSA-N 0 3 424.508 3.429 20 0 HGADHN CN(Cc1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1)C1CC1 ZINC001164861523 720901744 /nfs/dbraw/zinc/90/17/44/720901744.db2.gz TVXLAKRQJXHTBZ-BWKNWUBXSA-N 0 3 420.557 3.234 20 0 HGADHN O=C(N[C@H]1CCO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1ccccc1 ZINC001164855560 720903502 /nfs/dbraw/zinc/90/35/02/720903502.db2.gz INARAHWHEMCLLF-DHLKQENFSA-N 0 3 420.557 3.235 20 0 HGADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164871534 721045439 /nfs/dbraw/zinc/04/54/39/721045439.db2.gz ZNHJQRMKZQDGPN-UONOGXRCSA-N 0 3 419.316 3.139 20 0 HGADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866861 721072897 /nfs/dbraw/zinc/07/28/97/721072897.db2.gz GJLYGNGPUBMWPE-JKSUJKDBSA-N 0 3 413.884 3.297 20 0 HGADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865750 721079239 /nfs/dbraw/zinc/07/92/39/721079239.db2.gz PGTZQVGAKSXWRZ-CVEARBPZSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1cccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865998 721083484 /nfs/dbraw/zinc/08/34/84/721083484.db2.gz QXEGMOWBYNGUMF-MSOLQXFVSA-N 0 3 409.921 3.466 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccnc(Cl)c5)ccn4)C[C@@H]3C2)cn1 ZINC001164770458 721095636 /nfs/dbraw/zinc/09/56/36/721095636.db2.gz QMALDHGQJDWABB-PMACEKPBSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccnc(Cl)c5)ccn4)C[C@@H]3C2)cn1 ZINC001164770461 721096355 /nfs/dbraw/zinc/09/63/55/721096355.db2.gz QMALDHGQJDWABB-UXHICEINSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@H]3C2)cn1 ZINC001164773928 721108135 /nfs/dbraw/zinc/10/81/35/721108135.db2.gz ZHLBBWOWMBDRJD-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN Cc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164878964 721146459 /nfs/dbraw/zinc/14/64/59/721146459.db2.gz RDGAAKFPKNMLNH-FCHUYYIVSA-N 0 3 401.514 3.327 20 0 HGADHN Fc1ccc(-c2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870987 721182196 /nfs/dbraw/zinc/18/21/96/721182196.db2.gz CUDORWMUDRJPMW-NHCUHLMSSA-N 0 3 405.477 3.157 20 0 HGADHN Fc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccsc1 ZINC001164870287 721185184 /nfs/dbraw/zinc/18/51/84/721185184.db2.gz CJBNUGFBCGWHPA-QZTJIDSGSA-N 0 3 411.506 3.219 20 0 HGADHN CCc1nc2sc3c(c2c(N2C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C2)n1)CCC3 ZINC001164771826 721193785 /nfs/dbraw/zinc/19/37/85/721193785.db2.gz RBLDZVNIWIFQHO-DLBZAZTESA-N 0 3 422.602 3.434 20 0 HGADHN Cc1ccc(C)c(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164772868 721211792 /nfs/dbraw/zinc/21/17/92/721211792.db2.gz VQDPRUIITUKMMP-RTWAWAEBSA-N 0 3 402.546 3.452 20 0 HGADHN CCc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164769547 721215105 /nfs/dbraw/zinc/21/51/05/721215105.db2.gz MSZMVIRSZKXETF-FGZHOGPDSA-N 0 3 402.546 3.398 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(Cl)c5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164763277 721225802 /nfs/dbraw/zinc/22/58/02/721225802.db2.gz FDNVRLLJPMMGQE-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc(C)c2c1 ZINC001164893014 721411797 /nfs/dbraw/zinc/41/17/97/721411797.db2.gz ZVXZWKVQNNHBNI-OFVILXPXSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164885166 721420717 /nfs/dbraw/zinc/42/07/17/721420717.db2.gz GCDMAMWPDPPZGX-ZJSXRUAMSA-N 0 3 410.562 3.009 20 0 HGADHN COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164884100 721422008 /nfs/dbraw/zinc/42/20/08/721422008.db2.gz DAPYKUWZXSYGOC-SQJMNOBHSA-N 0 3 424.589 3.317 20 0 HGADHN c1cn2c(n1)CN(c1ccc(CN3CCCC3)cn1)C[C@@H](COCc1ccccn1)C2 ZINC001164893652 721469860 /nfs/dbraw/zinc/46/98/60/721469860.db2.gz STOXQODPNDSDRD-NRFANRHFSA-N 0 3 418.545 3.122 20 0 HGADHN c1cn2c(n1)CN(c1ncccc1CN1CCCC1)C[C@H](COCc1ccccn1)C2 ZINC001164891706 721470414 /nfs/dbraw/zinc/47/04/14/721470414.db2.gz NRZQIYBWUCFSPA-HXUWFJFHSA-N 0 3 418.545 3.122 20 0 HGADHN O=C1CCC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)N1Cc1ccncc1 ZINC001164900283 721506595 /nfs/dbraw/zinc/50/65/95/721506595.db2.gz PPNLWXPQXWWBHN-UHFFFAOYSA-N 0 3 405.546 3.234 20 0 HGADHN COC(=O)c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1Cl ZINC001164899600 721514480 /nfs/dbraw/zinc/51/44/80/721514480.db2.gz LGINNCUIZATLDO-HOCLYGCPSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CSC5)CCN3C2)c1 ZINC001164901628 721524301 /nfs/dbraw/zinc/52/43/01/721524301.db2.gz XTMLLXBEJAVHFX-ZFWWWQNUSA-N 0 3 406.914 3.358 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5cccnc5F)n4)CCN3C2)c1 ZINC001164911092 721545218 /nfs/dbraw/zinc/54/52/18/721545218.db2.gz VOIZYFCDMLNORM-AEFFLSMTSA-N 0 3 409.440 3.159 20 0 HGADHN COC(OC)c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909725 721547430 /nfs/dbraw/zinc/54/74/30/721547430.db2.gz RRSGMUHIOBEANX-IEBWSBKVSA-N 0 3 401.482 3.162 20 0 HGADHN c1csc(COC[C@@H]2CC[C@H]3[C@H]2OCCN3c2ccc(CN3CCCC3)cn2)n1 ZINC001164917586 721810835 /nfs/dbraw/zinc/81/08/35/721810835.db2.gz NOIKITURTLWLFV-IPJJNNNSSA-N 0 3 414.575 3.335 20 0 HGADHN c1ccc(CN2CCc3nc(N4CCN(CCc5ccccn5)CC4)ccc3C2)cc1 ZINC001165053191 722010870 /nfs/dbraw/zinc/01/08/70/722010870.db2.gz ANGFQVRSKSTUAN-UHFFFAOYSA-N 0 3 413.569 3.400 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164982828 722098363 /nfs/dbraw/zinc/09/83/63/722098363.db2.gz PGFSUGFPUQYNCQ-BHIFYINESA-N 0 3 405.546 3.223 20 0 HGADHN FC(F)(c1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981348 722098715 /nfs/dbraw/zinc/09/87/15/722098715.db2.gz LDPSFBSEVXSMBQ-FUHWJXTLSA-N 0 3 408.880 3.402 20 0 HGADHN Clc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc12 ZINC001164984271 722103734 /nfs/dbraw/zinc/10/37/34/722103734.db2.gz RUDFFNDYBAKUKF-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984307 722105014 /nfs/dbraw/zinc/10/50/14/722105014.db2.gz SHOUNHBZCJQVLP-GGAORHGYSA-N 0 3 401.514 3.266 20 0 HGADHN c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984306 722105336 /nfs/dbraw/zinc/10/53/36/722105336.db2.gz SHOUNHBZCJQVLP-FYYLOGMGSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164977271 722106225 /nfs/dbraw/zinc/10/62/25/722106225.db2.gz FNLXKACDCJSQBV-PXNSSMCTSA-N 0 3 413.953 3.131 20 0 HGADHN Clc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164975656 722110662 /nfs/dbraw/zinc/11/06/62/722110662.db2.gz KEQIMXURVIJJDY-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981084 722112824 /nfs/dbraw/zinc/11/28/24/722112824.db2.gz SKLVFPHLHRQPSB-UTKZUKDTSA-N 0 3 409.921 3.406 20 0 HGADHN CCCN(CCC)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164975194 722131768 /nfs/dbraw/zinc/13/17/68/722131768.db2.gz FNBQVZQZRGRNNN-FCHUYYIVSA-N 0 3 424.593 3.225 20 0 HGADHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164984643 722132065 /nfs/dbraw/zinc/13/20/65/722132065.db2.gz YEWRKXCHLXULCP-AUSIDOKSSA-N 0 3 404.514 3.366 20 0 HGADHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164984646 722132610 /nfs/dbraw/zinc/13/26/10/722132610.db2.gz YEWRKXCHLXULCP-XXBNENTESA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ccnc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164978081 722135943 /nfs/dbraw/zinc/13/59/43/722135943.db2.gz JQUUOAADWVJPOI-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN CSc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164972566 722154220 /nfs/dbraw/zinc/15/42/20/722154220.db2.gz IKCCJTLQNCHQCS-XMSQKQJNSA-N 0 3 421.570 3.474 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164971076 722154572 /nfs/dbraw/zinc/15/45/72/722154572.db2.gz ALJRQKOBIMEPRI-FGZHOGPDSA-N 0 3 423.561 3.168 20 0 HGADHN CSc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164974788 722156623 /nfs/dbraw/zinc/15/66/23/722156623.db2.gz QLGJLMONQXNIRI-IRXDYDNUSA-N 0 3 417.604 3.043 20 0 HGADHN COc1cc(C)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977126 722159079 /nfs/dbraw/zinc/15/90/79/722159079.db2.gz XGNKTHHMCOIOAQ-SIKLNZKXSA-N 0 3 419.529 3.069 20 0 HGADHN COC(=O)c1c[nH]c2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164997300 722202358 /nfs/dbraw/zinc/20/23/58/722202358.db2.gz YXBOQDUVAXHQPU-QFIPXVFZSA-N 0 3 409.465 3.129 20 0 HGADHN COc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1[O-] ZINC000531332959 1126096742 /nfs/dbraw/zinc/09/67/42/1126096742.db2.gz PTNJQIUNGNEKFU-CQSZACIVSA-N 0 3 405.292 3.338 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2cnc(CC(F)(F)F)s2)cc1OC ZINC001179520029 1126152477 /nfs/dbraw/zinc/15/24/77/1126152477.db2.gz HGCFWHKBYXINEV-KRWDZBQOSA-N 0 3 404.454 3.348 20 0 HGADHN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751358 1126198855 /nfs/dbraw/zinc/19/88/55/1126198855.db2.gz UCBGRZVZHYRQIV-SFTDATJTSA-N 0 3 408.464 3.143 20 0 HGADHN CN(C)Cc1ccc(CN[C@](C)(CO)Cc2ccccc2F)c2c1OC(F)(F)O2 ZINC001560548143 1126212074 /nfs/dbraw/zinc/21/20/74/1126212074.db2.gz CNNCSSIFORCVAG-FQEVSTJZSA-N 0 3 410.436 3.292 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)cc(Cl)n2)c2c1CCNC2 ZINC001164681861 719608601 /nfs/dbraw/zinc/60/86/01/719608601.db2.gz BGLPLNUHOLBCLN-UHFFFAOYSA-N 0 3 405.280 3.063 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)Cc2nc(Cl)cc(Cl)n2)c2c1CCNC2 ZINC001164679537 719633661 /nfs/dbraw/zinc/63/36/61/719633661.db2.gz FUWAMYPTGMBCJB-UHFFFAOYSA-N 0 3 419.307 3.258 20 0 HGADHN CN(C)c1ccc(-c2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164732820 720420066 /nfs/dbraw/zinc/42/00/66/720420066.db2.gz OINXKEGMBDRKQV-GOTSBHOMSA-N 0 3 400.530 3.458 20 0 HGADHN COc1ccc2c(cc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744846 720730027 /nfs/dbraw/zinc/73/00/27/720730027.db2.gz SVWAWJILTFLRJF-RDJZCZTQSA-N 0 3 411.893 3.029 20 0 HGADHN CN(Cc1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1)C1CC1 ZINC001164861532 720902419 /nfs/dbraw/zinc/90/24/19/720902419.db2.gz TVXLAKRQJXHTBZ-OFVILXPXSA-N 0 3 420.557 3.234 20 0 HGADHN Cc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866575 721072333 /nfs/dbraw/zinc/07/23/33/721072333.db2.gz FRKOQZOTJDTGIV-QZTJIDSGSA-N 0 3 409.921 3.466 20 0 HGADHN CSc1nc2sccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765638 721083605 /nfs/dbraw/zinc/08/36/05/721083605.db2.gz JFEIPAWHINZPLE-LSDHHAIUSA-N 0 3 400.577 3.105 20 0 HGADHN CSc1nc2ccccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867330 721097584 /nfs/dbraw/zinc/09/75/84/721097584.db2.gz XXWBRTXRZYZZIP-MSOLQXFVSA-N 0 3 407.543 3.226 20 0 HGADHN CCc1cc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)[nH]1 ZINC001164879090 721130905 /nfs/dbraw/zinc/13/09/05/721130905.db2.gz RTDVVZMHQUHGQY-DLBZAZTESA-N 0 3 412.925 3.048 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(-c5cccc(Cl)n5)n4)C[C@H]3C2)cn1 ZINC001164770591 721136493 /nfs/dbraw/zinc/13/64/93/721136493.db2.gz RBYZKEKVQINFTO-ZWKOTPCHSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)C[C@@H]3C2)cn1 ZINC001164774144 721148946 /nfs/dbraw/zinc/14/89/46/721148946.db2.gz ZVHCAJQUQYXCQS-QUCCMNQESA-N 0 3 414.985 3.023 20 0 HGADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164880346 721167696 /nfs/dbraw/zinc/16/76/96/721167696.db2.gz WAANWLNKPDVCSZ-RTWAWAEBSA-N 0 3 416.529 3.030 20 0 HGADHN CSc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878643 721181263 /nfs/dbraw/zinc/18/12/63/721181263.db2.gz QTWPWRHSLOSFGB-ZWKOTPCHSA-N 0 3 407.543 3.226 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164772346 721181872 /nfs/dbraw/zinc/18/18/72/721181872.db2.gz SQBGDNAVBMXQDL-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN Fc1ccc(-c2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870993 721181917 /nfs/dbraw/zinc/18/19/17/721181917.db2.gz CUDORWMUDRJPMW-SFTDATJTSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164875431 721184285 /nfs/dbraw/zinc/18/42/85/721184285.db2.gz LPLVJUBERYDGGC-VQTJNVASSA-N 0 3 419.504 3.466 20 0 HGADHN CCc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164769550 721215493 /nfs/dbraw/zinc/21/54/93/721215493.db2.gz MSZMVIRSZKXETF-VXKWHMMOSA-N 0 3 402.546 3.398 20 0 HGADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164763912 721230446 /nfs/dbraw/zinc/23/04/46/721230446.db2.gz OBBANONZPVRUPC-RBUKOAKNSA-N 0 3 423.952 3.192 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164766747 721231772 /nfs/dbraw/zinc/23/17/72/721231772.db2.gz VIGIBSHMTZSSDW-HUUCEWRRSA-N 0 3 416.451 3.398 20 0 HGADHN O=C(c1cscn1)N1CCC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164877486 721328972 /nfs/dbraw/zinc/32/89/72/721328972.db2.gz UMKSFUXWTVTUEZ-UHFFFAOYSA-N 0 3 411.575 3.267 20 0 HGADHN COc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)cc(C)c2c1 ZINC001164893013 721411897 /nfs/dbraw/zinc/41/18/97/721411897.db2.gz ZVXZWKVQNNHBNI-BWKNWUBXSA-N 0 3 424.589 3.317 20 0 HGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901053 721508715 /nfs/dbraw/zinc/50/87/15/721508715.db2.gz WFPFUHCKFXFWDS-AEFFLSMTSA-N 0 3 419.884 3.393 20 0 HGADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904724 721535273 /nfs/dbraw/zinc/53/52/73/721535273.db2.gz GBYGUXCSQMWERI-UYAOXDASSA-N 0 3 412.509 3.091 20 0 HGADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909710 721558560 /nfs/dbraw/zinc/55/85/60/721558560.db2.gz UPMBTXSAPYDAQD-FPOVZHCZSA-N 0 3 405.477 3.328 20 0 HGADHN C[C@@H]1CCCN(c2cc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncn2)C1 ZINC001164910841 721560311 /nfs/dbraw/zinc/56/03/11/721560311.db2.gz XLHRHYQOFLERPI-SLYNCCJLSA-N 0 3 411.525 3.194 20 0 HGADHN Fc1cc2c(cn1)ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907037 721695838 /nfs/dbraw/zinc/69/58/38/721695838.db2.gz QLMXQFNGWOLPLU-FQEVSTJZSA-N 0 3 414.435 3.297 20 0 HGADHN Cc1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164984130 722103664 /nfs/dbraw/zinc/10/36/64/722103664.db2.gz RSZQQNAZBIAHGO-OALUTQOASA-N 0 3 409.559 3.430 20 0 HGADHN Clc1ccnc2c1ccnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975481 722104900 /nfs/dbraw/zinc/10/49/00/722104900.db2.gz BZHNETSATLJWKM-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc(Oc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164979352 722105789 /nfs/dbraw/zinc/10/57/89/722105789.db2.gz ICNDKDLLEBSEER-RBBKRZOGSA-N 0 3 417.513 3.391 20 0 HGADHN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978304 722108609 /nfs/dbraw/zinc/10/86/09/722108609.db2.gz OKKUUVULGLIBMY-FUHWJXTLSA-N 0 3 424.879 3.282 20 0 HGADHN Clc1ncnc2scc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164974086 722110638 /nfs/dbraw/zinc/11/06/38/722110638.db2.gz ILJLCQFZKBKCNA-DOTOQJQBSA-N 0 3 415.950 3.467 20 0 HGADHN Clc1cnc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001164975631 722113118 /nfs/dbraw/zinc/11/31/18/722113118.db2.gz KDMRWLVWCUJOCF-AZUAARDMSA-N 0 3 409.921 3.406 20 0 HGADHN CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980509 722117299 /nfs/dbraw/zinc/11/72/99/722117299.db2.gz RNENCRWYTDYVPZ-NHCUHLMSSA-N 0 3 424.545 3.159 20 0 HGADHN Clc1ccnc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc12 ZINC001164978376 722127588 /nfs/dbraw/zinc/12/75/88/722127588.db2.gz OMNLZPWNSWMVHC-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccnc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164978083 722135454 /nfs/dbraw/zinc/13/54/54/722135454.db2.gz JQUUOAADWVJPOI-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975201 722135557 /nfs/dbraw/zinc/13/55/57/722135557.db2.gz FQVPZPGWTKNJKV-UYAOXDASSA-N 0 3 420.561 3.378 20 0 HGADHN Fc1ccccc1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164977041 722147808 /nfs/dbraw/zinc/14/78/08/722147808.db2.gz IAVBYYPFEVVSOE-WMZHIEFXSA-N 0 3 419.504 3.405 20 0 HGADHN Fc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985006 722148043 /nfs/dbraw/zinc/14/80/43/722148043.db2.gz YTHHGKZPGLHLBO-REWPJTCUSA-N 0 3 419.504 3.405 20 0 HGADHN CCc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)nc1C ZINC001164977117 722156744 /nfs/dbraw/zinc/15/67/44/722156744.db2.gz XDOOGRVXRNEYKK-MJGOQNOKSA-N 0 3 401.942 3.123 20 0 HGADHN COc1cc(C)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977125 722159222 /nfs/dbraw/zinc/15/92/22/722159222.db2.gz XGNKTHHMCOIOAQ-KNQAVFIVSA-N 0 3 419.529 3.069 20 0 HGADHN COc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc(Br)c1[O-] ZINC000531332958 1126096682 /nfs/dbraw/zinc/09/66/82/1126096682.db2.gz PTNJQIUNGNEKFU-AWEZNQCLSA-N 0 3 405.292 3.338 20 0 HGADHN O=c1[nH]ccc2oc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)cc21 ZINC001179146622 1126151386 /nfs/dbraw/zinc/15/13/86/1126151386.db2.gz AVMIHUBEVJEJFG-LJQANCHMSA-N 0 3 403.276 3.306 20 0 HGADHN COC(=O)c1ccc(Cl)c(CN[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC001308118967 1126164091 /nfs/dbraw/zinc/16/40/91/1126164091.db2.gz XCQTYGBPCXXZSB-OAQYLSRUSA-N 0 3 407.894 3.227 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2cc(OC)c(OC)cc2Cl)cc1OC ZINC001461737172 1126196823 /nfs/dbraw/zinc/19/68/23/1126196823.db2.gz URCFLAWTCFTPJP-NRFANRHFSA-N 0 3 409.910 3.458 20 0 HGADHN CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2cn3ccccc3n2)s1 ZINC000556234241 370703121 /nfs/dbraw/zinc/70/31/21/370703121.db2.gz OJTMGSUMLSDIOZ-HNNXBMFYSA-N 0 3 406.577 3.320 20 0 HGADHN NC(=O)c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626571 719056224 /nfs/dbraw/zinc/05/62/24/719056224.db2.gz SFZDTRFCUXHOAL-DOTOQJQBSA-N 0 3 420.891 3.480 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164690246 719752023 /nfs/dbraw/zinc/75/20/23/719752023.db2.gz WQWGEKTWOJDUBX-UHFFFAOYSA-N 0 3 408.333 3.117 20 0 HGADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818134 720151863 /nfs/dbraw/zinc/15/18/63/720151863.db2.gz RVGKBGYROHHJPD-GUYCJALGSA-N 0 3 418.941 3.148 20 0 HGADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818134 720151868 /nfs/dbraw/zinc/15/18/68/720151868.db2.gz RVGKBGYROHHJPD-GUYCJALGSA-N 0 3 418.941 3.148 20 0 HGADHN c1ccc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164726276 720429873 /nfs/dbraw/zinc/42/98/73/720429873.db2.gz BFVUUKOUTPOMJL-YADHBBJMSA-N 0 3 400.530 3.478 20 0 HGADHN CC1CCN(C(=O)c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)CC1 ZINC001164734519 720436371 /nfs/dbraw/zinc/43/63/71/720436371.db2.gz SYKTXNDIVCFIFE-FCHUYYIVSA-N 0 3 405.546 3.202 20 0 HGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)C1 ZINC001164731482 720436941 /nfs/dbraw/zinc/43/69/41/720436941.db2.gz KWNMNGMOPYWHMW-STZQEDGTSA-N 0 3 405.546 3.202 20 0 HGADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748893 720791015 /nfs/dbraw/zinc/79/10/15/720791015.db2.gz RVBRDRQTFZODOV-KBPBESRZSA-N 0 3 417.300 3.069 20 0 HGADHN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2COC[C@@]2(C(=O)NCCc2ccccc2)C1 ZINC001164853653 720817712 /nfs/dbraw/zinc/81/77/12/720817712.db2.gz RJVPNNQDSITKAF-CVDCTZTESA-N 0 3 413.949 3.277 20 0 HGADHN O=C(N[C@H]1CCO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1ccccc1 ZINC001164858417 720900797 /nfs/dbraw/zinc/90/07/97/720900797.db2.gz NIPGSLOIPSAGNB-WIOPSUGQSA-N 0 3 420.557 3.235 20 0 HGADHN c1ccc(CO[C@@H]2CO[C@]3(C2)CCCN(c2ccc(CN4CCCC4)cn2)C3)nc1 ZINC001164771060 721030301 /nfs/dbraw/zinc/03/03/01/721030301.db2.gz ZIYLKQRKCUFMAH-UPVQGACJSA-N 0 3 408.546 3.417 20 0 HGADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869565 721057690 /nfs/dbraw/zinc/05/76/90/721057690.db2.gz UHWCUCKUBBDTHD-RTBURBONSA-N 0 3 422.920 3.067 20 0 HGADHN c1ccc(Oc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164868034 721060794 /nfs/dbraw/zinc/06/07/94/721060794.db2.gz MHLZAHIMDDBYOI-PZJWPPBQSA-N 0 3 403.486 3.144 20 0 HGADHN Fc1ccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864379 721081419 /nfs/dbraw/zinc/08/14/19/721081419.db2.gz FRKQEFAOIWQTQP-LEWJYISDSA-N 0 3 405.477 3.157 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccnc(Cl)c5)ccn4)C[C@H]3C2)cn1 ZINC001164770462 721096667 /nfs/dbraw/zinc/09/66/67/721096667.db2.gz QMALDHGQJDWABB-VQTJNVASSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771344 721142874 /nfs/dbraw/zinc/14/28/74/721142874.db2.gz SGJFEEGYZVNDSB-RBUKOAKNSA-N 0 3 405.550 3.238 20 0 HGADHN Fc1cccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164880686 721163351 /nfs/dbraw/zinc/16/33/51/721163351.db2.gz XCPPNVZLFFQOBP-LEWJYISDSA-N 0 3 405.477 3.157 20 0 HGADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001164871084 721167556 /nfs/dbraw/zinc/16/75/56/721167556.db2.gz DINJZMUNUCNYPM-WOJBJXKFSA-N 0 3 420.517 3.130 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876481 721179872 /nfs/dbraw/zinc/17/98/72/721179872.db2.gz MRWODYFUMIPJRW-VQTJNVASSA-N 0 3 419.504 3.466 20 0 HGADHN CN(Cc1ccc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1)C1CC1 ZINC001164777677 721327061 /nfs/dbraw/zinc/32/70/61/721327061.db2.gz PFARZDMMKZGHBA-IBGZPJMESA-N 0 3 412.509 3.417 20 0 HGADHN COc1ccc2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164885159 721419690 /nfs/dbraw/zinc/41/96/90/721419690.db2.gz GCDMAMWPDPPZGX-QPPBQGQZSA-N 0 3 410.562 3.009 20 0 HGADHN COC(=O)c1cc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901426 721520161 /nfs/dbraw/zinc/52/01/61/721520161.db2.gz XEWUYJGOTCXPSQ-NVXWUHKLSA-N 0 3 405.857 3.003 20 0 HGADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164909745 721540964 /nfs/dbraw/zinc/54/09/64/721540964.db2.gz RSSLAYONYNGFFI-QUCCMNQESA-N 0 3 413.493 3.356 20 0 HGADHN COC(=O)c1cc(C)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907946 721584909 /nfs/dbraw/zinc/58/49/09/721584909.db2.gz XCNIMOSEOGRHRH-NRFANRHFSA-N 0 3 416.472 3.309 20 0 HGADHN FC1(F)CCN(c2[nH+][n-]c(Cl)c3ncnc2-3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908090 721712657 /nfs/dbraw/zinc/71/26/57/721712657.db2.gz VOBLOVOIFPKAQX-GOSISDBHSA-N 0 3 419.867 3.139 20 0 HGADHN CCN(CC)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164906794 721715814 /nfs/dbraw/zinc/71/58/14/721715814.db2.gz OJICIGFZRDLAAH-NRFANRHFSA-N 0 3 416.520 3.456 20 0 HGADHN Cc1cnc2c(ccnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164910789 721732124 /nfs/dbraw/zinc/73/21/24/721732124.db2.gz HUNLOAOFVDBUFG-OAQYLSRUSA-N 0 3 410.472 3.466 20 0 HGADHN FC(F)(c1cc(Cl)ncn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961156 722051705 /nfs/dbraw/zinc/05/17/05/722051705.db2.gz SPZXZIXOERJVAX-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN Clc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2[nH]cnc2n1 ZINC001164962220 722055211 /nfs/dbraw/zinc/05/52/11/722055211.db2.gz BOCAKIJQVGBUOQ-UHFFFAOYSA-N 0 3 412.925 3.125 20 0 HGADHN Clc1ccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)[nH]c2n1 ZINC001164961492 722059004 /nfs/dbraw/zinc/05/90/04/722059004.db2.gz KUFVNHCONJPDAG-UHFFFAOYSA-N 0 3 412.925 3.125 20 0 HGADHN Cc1cc2ccncc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962214 722061494 /nfs/dbraw/zinc/06/14/94/722061494.db2.gz QEJFFKQKQNXAFU-UHFFFAOYSA-N 0 3 403.530 3.452 20 0 HGADHN FC(F)(c1cccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981250 722100273 /nfs/dbraw/zinc/10/02/73/722100273.db2.gz KSMZERJUJOJRAY-FUHWJXTLSA-N 0 3 408.880 3.402 20 0 HGADHN Clc1cccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981607 722106280 /nfs/dbraw/zinc/10/62/80/722106280.db2.gz LTMDNGATOPXPNO-PXNSSMCTSA-N 0 3 409.921 3.406 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979913 722107238 /nfs/dbraw/zinc/10/72/38/722107238.db2.gz IIQFCPSQKZJBAM-NFBKMPQASA-N 0 3 404.514 3.366 20 0 HGADHN Clc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cn1 ZINC001164982177 722109524 /nfs/dbraw/zinc/10/95/24/722109524.db2.gz WCYNLUCMQOMAMA-ICSRJNTNSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164975666 722110803 /nfs/dbraw/zinc/11/08/03/722110803.db2.gz KEQIMXURVIJJDY-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2c1CCCC2 ZINC001164970858 722112688 /nfs/dbraw/zinc/11/26/88/722112688.db2.gz AAQIZFWVPWVFFF-FXAWDEMLSA-N 0 3 413.953 3.131 20 0 HGADHN Clc1ccnc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164971855 722113720 /nfs/dbraw/zinc/11/37/20/722113720.db2.gz CRRZQASFVTUBEB-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN CCc1cc2c(ncnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977405 722115549 /nfs/dbraw/zinc/11/55/49/722115549.db2.gz NASISJQHKTZNKT-YLJYHZDGSA-N 0 3 409.559 3.376 20 0 HGADHN CCc1c(Cl)nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1CC ZINC001164980415 722119941 /nfs/dbraw/zinc/11/99/41/722119941.db2.gz RDBQBYGFHZKXFF-YLJYHZDGSA-N 0 3 415.969 3.377 20 0 HGADHN Clc1ccc2c(cnnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981164 722121211 /nfs/dbraw/zinc/12/12/11/722121211.db2.gz TZMGALLBHGFTCJ-DYESRHJHSA-N 0 3 409.921 3.406 20 0 HGADHN CSc1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980581 722123459 /nfs/dbraw/zinc/12/34/59/722123459.db2.gz RWFXNBCZRWHGTK-WIYYLYMNSA-N 0 3 421.570 3.474 20 0 HGADHN COc1ccc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980967 722132397 /nfs/dbraw/zinc/13/23/97/722132397.db2.gz OGLNRLBBEMEMMR-REWPJTCUSA-N 0 3 404.514 3.366 20 0 HGADHN COc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(C)nc2c1 ZINC001164976069 722146646 /nfs/dbraw/zinc/14/66/46/722146646.db2.gz GYARHEFXVSRBGM-CVDCTZTESA-N 0 3 419.529 3.069 20 0 HGADHN COc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(C)nc2c1 ZINC001164976070 722146704 /nfs/dbraw/zinc/14/67/04/722146704.db2.gz GYARHEFXVSRBGM-WMZHIEFXSA-N 0 3 419.529 3.069 20 0 HGADHN Fc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985005 722148173 /nfs/dbraw/zinc/14/81/73/722148173.db2.gz YTHHGKZPGLHLBO-OFNKIYASSA-N 0 3 419.504 3.405 20 0 HGADHN CCCOc1c(Br)cc(CNCCN2CCOCC2)cc1OCC ZINC000020968181 558425110 /nfs/dbraw/zinc/42/51/10/558425110.db2.gz BTGACDATLRMLFT-UHFFFAOYSA-N 0 3 401.345 3.058 20 0 HGADHN COCc1nn(-c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)c2c1CNC2 ZINC001164715151 720079310 /nfs/dbraw/zinc/07/93/10/720079310.db2.gz ZCESFYSBHGCSIP-UHFFFAOYSA-N 0 3 412.563 3.229 20 0 HGADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818136 720152659 /nfs/dbraw/zinc/15/26/59/720152659.db2.gz RVGKBGYROHHJPD-SUMWQHHRSA-N 0 3 418.941 3.148 20 0 HGADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818136 720152662 /nfs/dbraw/zinc/15/26/62/720152662.db2.gz RVGKBGYROHHJPD-SUMWQHHRSA-N 0 3 418.941 3.148 20 0 HGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721718 720341394 /nfs/dbraw/zinc/34/13/94/720341394.db2.gz DBXPIXKMWKATFP-VXKWHMMOSA-N 0 3 405.546 3.392 20 0 HGADHN CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725351 720385429 /nfs/dbraw/zinc/38/54/29/720385429.db2.gz MTGQAMCJLNXUQJ-NHCUHLMSSA-N 0 3 403.486 3.055 20 0 HGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727062 720387347 /nfs/dbraw/zinc/38/73/47/720387347.db2.gz QFEAVNREQVDLBY-RBUKOAKNSA-N 0 3 423.904 3.318 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821835 720391370 /nfs/dbraw/zinc/39/13/70/720391370.db2.gz JGWHCHIKRQDGIA-SJBKTWHCSA-N 0 3 414.575 3.395 20 0 HGADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736594 720585545 /nfs/dbraw/zinc/58/55/45/720585545.db2.gz OKOLDODHVHPKHB-UHFFFAOYSA-N 0 3 421.883 3.011 20 0 HGADHN Cc1csc2c1nc(Cl)cc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737872 720735426 /nfs/dbraw/zinc/73/54/26/720735426.db2.gz DDLBAHAXKDIQAH-KBPBESRZSA-N 0 3 401.923 3.390 20 0 HGADHN CC(C)(C)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164737238 720756159 /nfs/dbraw/zinc/75/61/59/720756159.db2.gz BGXXWHTZJITIKF-DLBZAZTESA-N 0 3 410.566 3.204 20 0 HGADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164742941 720784854 /nfs/dbraw/zinc/78/48/54/720784854.db2.gz PQYOINHLSFGUGW-WOJBJXKFSA-N 0 3 424.508 3.429 20 0 HGADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164871537 721045111 /nfs/dbraw/zinc/04/51/11/721045111.db2.gz ZNHJQRMKZQDGPN-ZIAGYGMSSA-N 0 3 419.316 3.139 20 0 HGADHN Clc1ncnc2scc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164868924 721075605 /nfs/dbraw/zinc/07/56/05/721075605.db2.gz RFSMMRSLNQZIFH-CABCVRRESA-N 0 3 401.923 3.219 20 0 HGADHN CSc1nc2ccsc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164771729 721118444 /nfs/dbraw/zinc/11/84/44/721118444.db2.gz SSZWUZJCJPWYTM-LSDHHAIUSA-N 0 3 400.577 3.105 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ncc4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164763422 721138881 /nfs/dbraw/zinc/13/88/81/721138881.db2.gz FQOSVELUERHAKQ-MOPGFXCFSA-N 0 3 408.937 3.489 20 0 HGADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164870251 721140038 /nfs/dbraw/zinc/14/00/38/721140038.db2.gz CAMNNGDAKQUJSU-UNMCSNQZSA-N 0 3 417.513 3.027 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)C[C@H]3C2)cn1 ZINC001164774147 721149906 /nfs/dbraw/zinc/14/99/06/721149906.db2.gz ZVHCAJQUQYXCQS-UYAOXDASSA-N 0 3 414.985 3.023 20 0 HGADHN Fc1cc2ncc(Cl)nc2cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877061 721158495 /nfs/dbraw/zinc/15/84/95/721158495.db2.gz OQTCUZQDXLRMBP-CVEARBPZSA-N 0 3 413.884 3.297 20 0 HGADHN Fc1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871073 721161331 /nfs/dbraw/zinc/16/13/31/721161331.db2.gz DHVWITMWQXVJGS-CTNGQTDRSA-N 0 3 421.476 3.283 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccccc5Cl)nn4)C[C@@H]3C2)cn1 ZINC001164768533 721165853 /nfs/dbraw/zinc/16/58/53/721165853.db2.gz LHGRLKZCVHNGDI-ROUUACIJSA-N 0 3 408.937 3.489 20 0 HGADHN Cc1c(Cl)nc(C(C)C)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871550 721180124 /nfs/dbraw/zinc/18/01/24/721180124.db2.gz FGOJKLLZSYCADL-ROUUACIJSA-N 0 3 401.942 3.437 20 0 HGADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871655 721182899 /nfs/dbraw/zinc/18/28/99/721182899.db2.gz GDYUQSYLMTYNPP-FCHUYYIVSA-N 0 3 419.504 3.466 20 0 HGADHN Cc1ccc(C)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164772869 721212504 /nfs/dbraw/zinc/21/25/04/721212504.db2.gz VQDPRUIITUKMMP-SFTDATJTSA-N 0 3 402.546 3.452 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(Cl)c5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164763273 721225646 /nfs/dbraw/zinc/22/56/46/721225646.db2.gz FDNVRLLJPMMGQE-GJZGRUSLSA-N 0 3 400.889 3.114 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(C(F)F)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164766751 721230498 /nfs/dbraw/zinc/23/04/98/721230498.db2.gz VIGIBSHMTZSSDW-LSDHHAIUSA-N 0 3 416.451 3.398 20 0 HGADHN COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887123 721381212 /nfs/dbraw/zinc/38/12/12/721381212.db2.gz HAKMCMFAEIVXEN-RCZVLFRGSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164889250 721395936 /nfs/dbraw/zinc/39/59/36/721395936.db2.gz LHQGQPSLLBPNPS-QPPBQGQZSA-N 0 3 410.562 3.009 20 0 HGADHN CN(Cc1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1)C1CC1 ZINC001164780951 721441791 /nfs/dbraw/zinc/44/17/91/721441791.db2.gz DDDCENLQHSAECU-JOCHJYFZSA-N 0 3 418.545 3.125 20 0 HGADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900767 721509547 /nfs/dbraw/zinc/50/95/47/721509547.db2.gz UPMJXLAHOJDIBS-NVXWUHKLSA-N 0 3 419.884 3.393 20 0 HGADHN CCOCc1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909832 721549477 /nfs/dbraw/zinc/54/94/77/721549477.db2.gz SBNRSBCRPUFTNZ-AEFFLSMTSA-N 0 3 406.889 3.148 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@@H]12 ZINC001164943751 721968119 /nfs/dbraw/zinc/96/81/19/721968119.db2.gz GFRCETMAQLSHSN-ILBGXUMGSA-N 0 3 404.558 3.446 20 0 HGADHN CN(Cc1ccc(N2CCCn3cnc(COc4cccnc4)c3C2)nc1)C1CC1 ZINC001164953798 721998357 /nfs/dbraw/zinc/99/83/57/721998357.db2.gz ZKCTXFZOIMMCOJ-UHFFFAOYSA-N 0 3 404.518 3.257 20 0 HGADHN FC(F)(c1cnc(Cl)cn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959621 722052745 /nfs/dbraw/zinc/05/27/45/722052745.db2.gz NCVCNXRKWNAEPR-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN Cc1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164984133 722103801 /nfs/dbraw/zinc/10/38/01/722103801.db2.gz RSZQQNAZBIAHGO-RTBURBONSA-N 0 3 409.559 3.430 20 0 HGADHN c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984308 722105359 /nfs/dbraw/zinc/10/53/59/722105359.db2.gz SHOUNHBZCJQVLP-GMAHTHKFSA-N 0 3 401.514 3.266 20 0 HGADHN Fc1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164984626 722144846 /nfs/dbraw/zinc/14/48/46/722144846.db2.gz XXBFVXASIFJYAM-REWPJTCUSA-N 0 3 419.504 3.405 20 0 HGADHN c1ccc(Cc2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164985056 722147222 /nfs/dbraw/zinc/14/72/22/722147222.db2.gz ZATCDMUFLIUBBL-GOTSBHOMSA-N 0 3 415.541 3.190 20 0 HGADHN Cc1csc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164984572 722147805 /nfs/dbraw/zinc/14/78/05/722147805.db2.gz XCVLXYQBZOZZEU-OALUTQOASA-N 0 3 409.559 3.430 20 0 HGADHN CCc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)nc1C ZINC001164977115 722157531 /nfs/dbraw/zinc/15/75/31/722157531.db2.gz XDOOGRVXRNEYKK-HKUYNNGSSA-N 0 3 401.942 3.123 20 0 HGADHN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cc2c(cc1Br)OCO2 ZINC000537297405 1126096714 /nfs/dbraw/zinc/09/67/14/1126096714.db2.gz YWEXCVSTCJEHLT-AWEZNQCLSA-N 0 3 403.276 3.352 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(CCc3ccccc3)s2)[C@H](O)C1 ZINC001308496155 1126167632 /nfs/dbraw/zinc/16/76/32/1126167632.db2.gz QIPRCIABKJTMJS-RTBURBONSA-N 0 3 417.575 3.388 20 0 HGADHN COc1ccc(C[C@@](C)(CO)NCc2cc3c(cc2Cl)OCCO3)cc1OC ZINC001460867985 1126192900 /nfs/dbraw/zinc/19/29/00/1126192900.db2.gz LDIPDVJJZYSJJW-NRFANRHFSA-N 0 3 407.894 3.212 20 0 HGADHN COC(=O)c1ccc(F)c(CN[C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001460872246 1126193450 /nfs/dbraw/zinc/19/34/50/1126193450.db2.gz UYBLJJJEQMINFT-IBGZPJMESA-N 0 3 410.283 3.458 20 0 HGADHN CN(C)Cc1ccnc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164421796 718891092 /nfs/dbraw/zinc/89/10/92/718891092.db2.gz YGUHLVHEYQHJAG-MRXNPFEDSA-N 0 3 416.323 3.131 20 0 HGADHN CCOC(=O)c1cnc2cc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)[nH]cc1-2 ZINC001164653600 719314539 /nfs/dbraw/zinc/31/45/39/719314539.db2.gz XKYIDZUSRKLLKV-UHFFFAOYSA-N 0 3 410.522 3.141 20 0 HGADHN CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164662953 719359802 /nfs/dbraw/zinc/35/98/02/719359802.db2.gz BAFVKZZAESSPCV-UHFFFAOYSA-N 0 3 413.591 3.221 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164683611 719717242 /nfs/dbraw/zinc/71/72/42/719717242.db2.gz BBEHGKSAAWXNFC-UHFFFAOYSA-N 0 3 408.333 3.117 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164690061 719747157 /nfs/dbraw/zinc/74/71/57/719747157.db2.gz RSEUPGOYDQMIRC-UHFFFAOYSA-N 0 3 415.541 3.478 20 0 HGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164731315 720395390 /nfs/dbraw/zinc/39/53/90/720395390.db2.gz ZCBVOBMYAUTLJQ-OALUTQOASA-N 0 3 413.953 3.465 20 0 HGADHN CC1CCN(C(=O)c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)CC1 ZINC001164734521 720436187 /nfs/dbraw/zinc/43/61/87/720436187.db2.gz SYKTXNDIVCFIFE-FGZHOGPDSA-N 0 3 405.546 3.202 20 0 HGADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164745072 720606890 /nfs/dbraw/zinc/60/68/90/720606890.db2.gz UHGKALSVHGOEKF-KBPBESRZSA-N 0 3 417.300 3.069 20 0 HGADHN CC(C)(C)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164737240 720755671 /nfs/dbraw/zinc/75/56/71/720755671.db2.gz BGXXWHTZJITIKF-IRXDYDNUSA-N 0 3 410.566 3.204 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(Cl)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766627 721087290 /nfs/dbraw/zinc/08/72/90/721087290.db2.gz KYSNERGQJCIDDL-RTBURBONSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5cccc(F)c54)C[C@H]3C2)cn1 ZINC001164773929 721108752 /nfs/dbraw/zinc/10/87/52/721108752.db2.gz ZHLBBWOWMBDRJD-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN CCOC(=O)c1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc2ccccc21 ZINC001164769014 721125858 /nfs/dbraw/zinc/12/58/58/721125858.db2.gz OTYGXKRIBRHWFM-RTBURBONSA-N 0 3 419.529 3.103 20 0 HGADHN CC(C)(C)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164872615 721128099 /nfs/dbraw/zinc/12/80/99/721128099.db2.gz HXWHLZCVOXFKNA-DLBZAZTESA-N 0 3 401.942 3.302 20 0 HGADHN CC(C)(C)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164872616 721128689 /nfs/dbraw/zinc/12/86/89/721128689.db2.gz HXWHLZCVOXFKNA-IAGOWNOFSA-N 0 3 401.942 3.302 20 0 HGADHN Cc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164880445 721137955 /nfs/dbraw/zinc/13/79/55/721137955.db2.gz WRVPPKWPIFZYTK-YADHBBJMSA-N 0 3 401.514 3.327 20 0 HGADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CCN3C2)c1 ZINC001164876443 721139656 /nfs/dbraw/zinc/13/96/56/721139656.db2.gz MLDVJRXKMUXIGJ-SJORKVTESA-N 0 3 407.543 3.055 20 0 HGADHN Cc1cccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164878970 721146228 /nfs/dbraw/zinc/14/62/28/721146228.db2.gz RDGAAKFPKNMLNH-VXKWHMMOSA-N 0 3 401.514 3.327 20 0 HGADHN COc1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164872509 721146361 /nfs/dbraw/zinc/14/63/61/721146361.db2.gz HJVWIQARMKVMHK-UXHICEINSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164874573 721156400 /nfs/dbraw/zinc/15/64/00/721156400.db2.gz KSTDSHGXTKLHFY-RTWAWAEBSA-N 0 3 405.477 3.157 20 0 HGADHN Fc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164874572 721157825 /nfs/dbraw/zinc/15/78/25/721157825.db2.gz KSTDSHGXTKLHFY-NHCUHLMSSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2cccs2)n1 ZINC001164872228 721161474 /nfs/dbraw/zinc/16/14/74/721161474.db2.gz HAFILQZRSQZXDM-MOPGFXCFSA-N 0 3 407.543 3.388 20 0 HGADHN Fc1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877633 721163620 /nfs/dbraw/zinc/16/36/20/721163620.db2.gz PJPGKZHWGYNQBH-MOPGFXCFSA-N 0 3 405.477 3.157 20 0 HGADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)s1 ZINC001164873550 721172807 /nfs/dbraw/zinc/17/28/07/721172807.db2.gz IOYDERMBNDBGML-RBUKOAKNSA-N 0 3 422.558 3.092 20 0 HGADHN CSc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878640 721180540 /nfs/dbraw/zinc/18/05/40/721180540.db2.gz QTWPWRHSLOSFGB-ROUUACIJSA-N 0 3 407.543 3.226 20 0 HGADHN CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771440 721184915 /nfs/dbraw/zinc/18/49/15/721184915.db2.gz PVBLRPXTMJMCMD-IRXDYDNUSA-N 0 3 413.957 3.357 20 0 HGADHN CCc1nc2sc3c(c2c(N2C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C2)n1)CCC3 ZINC001164771829 721195574 /nfs/dbraw/zinc/19/55/74/721195574.db2.gz RBLDZVNIWIFQHO-SJORKVTESA-N 0 3 422.602 3.434 20 0 HGADHN CCOc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164770101 721217261 /nfs/dbraw/zinc/21/72/61/721217261.db2.gz NBCPWSSIWJCMJX-NHCUHLMSSA-N 0 3 418.545 3.234 20 0 HGADHN CN(Cc1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1)C1CC1 ZINC001164888974 721470525 /nfs/dbraw/zinc/47/05/25/721470525.db2.gz GTARGSWODHANFV-FQEVSTJZSA-N 0 3 418.545 3.121 20 0 HGADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901711 721510408 /nfs/dbraw/zinc/51/04/08/721510408.db2.gz YDTBOJGHHCMLOC-HOCLYGCPSA-N 0 3 405.857 3.003 20 0 HGADHN CCOC(=O)/C=C\c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902232 721513577 /nfs/dbraw/zinc/51/35/77/721513577.db2.gz ZZNUCMNUTZVNKX-BVUSGXHMSA-N 0 3 411.477 3.139 20 0 HGADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164900663 721514147 /nfs/dbraw/zinc/51/41/47/721514147.db2.gz SORNLRDCRBXZTC-WBVHZDCISA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900662 721514454 /nfs/dbraw/zinc/51/44/54/721514454.db2.gz SORNLRDCRBXZTC-RDJZCZTQSA-N 0 3 405.857 3.003 20 0 HGADHN CCOC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164902980 721547715 /nfs/dbraw/zinc/54/77/15/721547715.db2.gz BPDYEWRHLJPOAB-NVXWUHKLSA-N 0 3 419.884 3.393 20 0 HGADHN CCCSc1ncnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164904210 721566383 /nfs/dbraw/zinc/56/63/83/721566383.db2.gz DJIZPNFNEZLRPQ-FUHWJXTLSA-N 0 3 418.538 3.468 20 0 HGADHN CSc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164907228 721566452 /nfs/dbraw/zinc/56/64/52/721566452.db2.gz MWLAYWIKSNVDQC-ZBFHGGJFSA-N 0 3 406.552 3.401 20 0 HGADHN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906309 721582607 /nfs/dbraw/zinc/58/26/07/721582607.db2.gz ZXDZWESYJZVKLI-NRFANRHFSA-N 0 3 414.504 3.492 20 0 HGADHN CCN(C)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164903020 721582985 /nfs/dbraw/zinc/58/29/85/721582985.db2.gz KCXUCWILZLLYFU-HXUWFJFHSA-N 0 3 402.493 3.065 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC001164927672 721899080 /nfs/dbraw/zinc/89/90/80/721899080.db2.gz KHFXTRRTJARHMP-XMMPIXPASA-N 0 3 401.514 3.279 20 0 HGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC001165037781 721918164 /nfs/dbraw/zinc/91/81/64/721918164.db2.gz JQYWUGQVGMMVCE-SFHVURJKSA-N 0 3 417.623 3.451 20 0 HGADHN CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)CC1 ZINC001165054679 722006512 /nfs/dbraw/zinc/00/65/12/722006512.db2.gz XKFIWZYEFBUSFG-UHFFFAOYSA-N 0 3 424.517 3.471 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]21 ZINC001164985858 722098191 /nfs/dbraw/zinc/09/81/91/722098191.db2.gz XFFVRTQIIRDTCB-QZNHQXDQSA-N 0 3 405.546 3.222 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979917 722107116 /nfs/dbraw/zinc/10/71/16/722107116.db2.gz IIQFCPSQKZJBAM-REWPJTCUSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164981085 722113110 /nfs/dbraw/zinc/11/31/10/722113110.db2.gz SKLVFPHLHRQPSB-UWJYYQICSA-N 0 3 409.921 3.406 20 0 HGADHN c1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164976415 722123368 /nfs/dbraw/zinc/12/33/68/722123368.db2.gz LNTWVRFKXNLGLE-WIYYLYMNSA-N 0 3 414.513 3.233 20 0 HGADHN CCOc1ccc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981169 722125158 /nfs/dbraw/zinc/12/51/58/722125158.db2.gz UADDAZHNWPJOSI-IEBWSBKVSA-N 0 3 402.926 3.256 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@H]3C2)c1 ZINC001164985476 722138366 /nfs/dbraw/zinc/13/83/66/722138366.db2.gz ZPGZUAMJQJUGRO-XZOQPEGZSA-N 0 3 401.514 3.266 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)nn1 ZINC001164979697 722143273 /nfs/dbraw/zinc/14/32/73/722143273.db2.gz LTJUJBGYAWGQLX-FUHWJXTLSA-N 0 3 423.895 3.106 20 0 HGADHN CC(C)c1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973803 722153539 /nfs/dbraw/zinc/15/35/39/722153539.db2.gz LXYYDISJJXIYRI-ZWKOTPCHSA-N 0 3 401.942 3.376 20 0 HGADHN CC(C)c1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973355 722153661 /nfs/dbraw/zinc/15/36/61/722153661.db2.gz LXYYDISJJXIYRI-QZTJIDSGSA-N 0 3 401.942 3.376 20 0 HGADHN c1cncc(CN2CCO[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971200 722154003 /nfs/dbraw/zinc/15/40/03/722154003.db2.gz BCMJXPGGJVTUHP-PGRDOPGGSA-N 0 3 403.530 3.174 20 0 HGADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(CCc3ccccc3)s2)[C@@H](O)C1 ZINC001308496153 1126167570 /nfs/dbraw/zinc/16/75/70/1126167570.db2.gz QIPRCIABKJTMJS-OALUTQOASA-N 0 3 417.575 3.388 20 0 HGADHN COc1c(C)cnc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1C ZINC001460425733 1126191391 /nfs/dbraw/zinc/19/13/91/1126191391.db2.gz YSQJGAQCLAIEED-HXUWFJFHSA-N 0 3 405.336 3.479 20 0 HGADHN CN(C)Cc1ccc(CN[C@@](C)(CO)Cc2ccccc2F)c2c1OC(F)(F)O2 ZINC001560548144 1126211986 /nfs/dbraw/zinc/21/19/86/1126211986.db2.gz CNNCSSIFORCVAG-HXUWFJFHSA-N 0 3 410.436 3.292 20 0 HGADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164631684 719094183 /nfs/dbraw/zinc/09/41/83/719094183.db2.gz ZCRFENRSUBQYKN-CRAIPNDOSA-N 0 3 420.891 3.480 20 0 HGADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCN(CC(C)C)CC2)n1 ZINC001164657255 719335809 /nfs/dbraw/zinc/33/58/09/719335809.db2.gz GCWVPICCCRRHMX-CSKARUKUSA-N 0 3 402.539 3.030 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc3cc(C)c(C)cc3nc1Cl)CC2 ZINC001164683735 719730227 /nfs/dbraw/zinc/73/02/27/719730227.db2.gz FAZRREMGUATLDU-UHFFFAOYSA-N 0 3 401.942 3.081 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(CN3CCCC3)cn2)cs1 ZINC001164816282 720258205 /nfs/dbraw/zinc/25/82/05/720258205.db2.gz HIPKJRDRIYLJBM-WOJBJXKFSA-N 0 3 411.575 3.212 20 0 HGADHN CC1CCN(C(=O)c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CC1 ZINC001164734524 720436592 /nfs/dbraw/zinc/43/65/92/720436592.db2.gz SYKTXNDIVCFIFE-YADHBBJMSA-N 0 3 405.546 3.202 20 0 HGADHN COC(=O)c1nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c2ccccc2c1OC ZINC001164735072 720459342 /nfs/dbraw/zinc/45/93/42/720459342.db2.gz VMWBOBHGKAUJSN-WOJBJXKFSA-N 0 3 418.497 3.278 20 0 HGADHN COc1cccc2c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164743738 720607294 /nfs/dbraw/zinc/60/72/94/720607294.db2.gz QKMRAPJLWLSNOI-CABCVRRESA-N 0 3 411.893 3.029 20 0 HGADHN CC(C)(C)c1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2s1 ZINC001164743211 720656161 /nfs/dbraw/zinc/65/61/61/720656161.db2.gz XBRONWLHIBIQOW-GJZGRUSLSA-N 0 3 410.547 3.121 20 0 HGADHN COc1ccc2c(c1)nc(Cl)cc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744334 720692843 /nfs/dbraw/zinc/69/28/43/720692843.db2.gz ZJVWJCMGFHRSCN-GOEBONIOSA-N 0 3 411.893 3.029 20 0 HGADHN COc1ccc2c(c1)nc(Cl)cc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744335 720693630 /nfs/dbraw/zinc/69/36/30/720693630.db2.gz ZJVWJCMGFHRSCN-HOCLYGCPSA-N 0 3 411.893 3.029 20 0 HGADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737950 720695708 /nfs/dbraw/zinc/69/57/08/720695708.db2.gz HWMBHCURWKQZQC-CHWSQXEVSA-N 0 3 417.300 3.069 20 0 HGADHN O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1ccccc1 ZINC001164855564 720903624 /nfs/dbraw/zinc/90/36/24/720903624.db2.gz INARAHWHEMCLLF-RDGATRHJSA-N 0 3 420.557 3.235 20 0 HGADHN CCOC(=O)c1cc2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)[nH]c-2n1 ZINC001164862791 720982299 /nfs/dbraw/zinc/98/22/99/720982299.db2.gz UQPASAWZQCRPFX-HNNXBMFYSA-N 0 3 410.522 3.358 20 0 HGADHN Clc1nnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164866040 721065446 /nfs/dbraw/zinc/06/54/46/721065446.db2.gz BXOAOACGAZETRB-CABCVRRESA-N 0 3 401.923 3.219 20 0 HGADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866858 721072156 /nfs/dbraw/zinc/07/21/56/721072156.db2.gz GJLYGNGPUBMWPE-CVEARBPZSA-N 0 3 413.884 3.297 20 0 HGADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164866969 721081859 /nfs/dbraw/zinc/08/18/59/721081859.db2.gz VRXLBUUMFSVPSS-ZWKOTPCHSA-N 0 3 413.953 3.274 20 0 HGADHN Cc1sc2nc(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164865417 721084860 /nfs/dbraw/zinc/08/48/60/721084860.db2.gz LEWUPMXRFNNXDP-RTBURBONSA-N 0 3 409.559 3.491 20 0 HGADHN CCc1c(Cl)nnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1CC ZINC001164865762 721091269 /nfs/dbraw/zinc/09/12/69/721091269.db2.gz PHDKRSVTTQTSCM-DLBZAZTESA-N 0 3 401.942 3.130 20 0 HGADHN Cc1cc2c(nc(Cl)nc2N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164768954 721104875 /nfs/dbraw/zinc/10/48/75/721104875.db2.gz OJKHNFRXESROFZ-HUUCEWRRSA-N 0 3 402.955 3.345 20 0 HGADHN Cc1cc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164768953 721104928 /nfs/dbraw/zinc/10/49/28/721104928.db2.gz OJKHNFRXESROFZ-GJZGRUSLSA-N 0 3 402.955 3.345 20 0 HGADHN Cc1cc2c(nc(Cl)nc2N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164768952 721106012 /nfs/dbraw/zinc/10/60/12/721106012.db2.gz OJKHNFRXESROFZ-CABCVRRESA-N 0 3 402.955 3.345 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164773258 721120984 /nfs/dbraw/zinc/12/09/84/721120984.db2.gz XOASRQFQZMHGJK-DLBZAZTESA-N 0 3 400.958 3.091 20 0 HGADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164879572 721127637 /nfs/dbraw/zinc/12/76/37/721127637.db2.gz UAVVYXYQOFXPSG-IRXDYDNUSA-N 0 3 413.884 3.297 20 0 HGADHN CCc1cc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164879093 721130311 /nfs/dbraw/zinc/13/03/11/721130311.db2.gz RTDVVZMHQUHGQY-IAGOWNOFSA-N 0 3 412.925 3.048 20 0 HGADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CCN3C2)c1 ZINC001164876440 721140120 /nfs/dbraw/zinc/14/01/20/721140120.db2.gz MLDVJRXKMUXIGJ-IRXDYDNUSA-N 0 3 407.543 3.055 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164768700 721174441 /nfs/dbraw/zinc/17/44/41/721174441.db2.gz LOQYPSZFKIPFES-FCHUYYIVSA-N 0 3 403.530 3.352 20 0 HGADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880735 721182885 /nfs/dbraw/zinc/18/28/85/721182885.db2.gz XJLHLSBQYMOXNE-OALUTQOASA-N 0 3 422.920 3.067 20 0 HGADHN Fc1ccc2c(Cl)ncnc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868050 721190205 /nfs/dbraw/zinc/19/02/05/721190205.db2.gz JQZVOHAFZIBLBN-CVEARBPZSA-N 0 3 413.884 3.297 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4OCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164768642 721191552 /nfs/dbraw/zinc/19/15/52/721191552.db2.gz LKHNUVCAWNMHHO-VXKWHMMOSA-N 0 3 403.530 3.352 20 0 HGADHN CCOc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164770100 721218312 /nfs/dbraw/zinc/21/83/12/721218312.db2.gz NBCPWSSIWJCMJX-LEWJYISDSA-N 0 3 418.545 3.234 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(Cl)c5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164763271 721224719 /nfs/dbraw/zinc/22/47/19/721224719.db2.gz FDNVRLLJPMMGQE-CABCVRRESA-N 0 3 400.889 3.114 20 0 HGADHN Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763939 721235649 /nfs/dbraw/zinc/23/56/49/721235649.db2.gz OHBMFIUUECDXRR-QZTJIDSGSA-N 0 3 402.974 3.329 20 0 HGADHN COc1ccc2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164895424 721426952 /nfs/dbraw/zinc/42/69/52/721426952.db2.gz OXBOPXRTFZBOQZ-QPPBQGQZSA-N 0 3 410.562 3.009 20 0 HGADHN CN(Cc1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1)C1CC1 ZINC001164899916 721507353 /nfs/dbraw/zinc/50/73/53/721507353.db2.gz MJEFNOJUHFTVMO-UHFFFAOYSA-N 0 3 405.546 3.232 20 0 HGADHN COc1cc2ncc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2cc1OC ZINC001164905203 721531428 /nfs/dbraw/zinc/53/14/28/721531428.db2.gz GNPSHJCHAWJTJF-WMZOPIPTSA-N 0 3 424.476 3.128 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)c2c1 ZINC001164912011 721540740 /nfs/dbraw/zinc/54/07/40/721540740.db2.gz YDDVAFXYBDTDCT-PXNSSMCTSA-N 0 3 408.477 3.428 20 0 HGADHN CCOC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164902982 721547749 /nfs/dbraw/zinc/54/77/49/721547749.db2.gz BPDYEWRHLJPOAB-WBVHZDCISA-N 0 3 419.884 3.393 20 0 HGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164910451 721562608 /nfs/dbraw/zinc/56/26/08/721562608.db2.gz WZIMIDPETLMIQL-UYAOXDASSA-N 0 3 421.476 3.490 20 0 HGADHN FC1(F)CCN(c2nc(Cl)nc3nc[nH]c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906700 721584154 /nfs/dbraw/zinc/58/41/54/721584154.db2.gz OWZXOEPIMNKYIW-SFHVURJKSA-N 0 3 419.867 3.139 20 0 HGADHN COC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164908006 721700092 /nfs/dbraw/zinc/70/00/92/721700092.db2.gz XXQBRCXUMWFTIR-OAQYLSRUSA-N 0 3 416.472 3.309 20 0 HGADHN CCN(CC)c1cncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908545 721716031 /nfs/dbraw/zinc/71/60/31/721716031.db2.gz XSUXESGQJHXIIU-NRFANRHFSA-N 0 3 416.520 3.456 20 0 HGADHN Cc1cnc2c(ccnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164910779 721732217 /nfs/dbraw/zinc/73/22/17/721732217.db2.gz HUNLOAOFVDBUFG-NRFANRHFSA-N 0 3 410.472 3.466 20 0 HGADHN FC1(F)CCN(c2ccc(CN3CCCC3)cn2)C[C@@]12CCN(c1cnccn1)C2 ZINC001164917774 721802901 /nfs/dbraw/zinc/80/29/01/721802901.db2.gz YHJDJUMHJAEQKR-OAQYLSRUSA-N 0 3 414.504 3.210 20 0 HGADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@H]12 ZINC001164943755 721968033 /nfs/dbraw/zinc/96/80/33/721968033.db2.gz GFRCETMAQLSHSN-UKILVPOCSA-N 0 3 404.558 3.446 20 0 HGADHN c1nc(COc2cccnc2)c2n1CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164949686 721998194 /nfs/dbraw/zinc/99/81/94/721998194.db2.gz FFAABDQHMIIZLG-UHFFFAOYSA-N 0 3 404.518 3.258 20 0 HGADHN CCOC(=O)c1ccc(C)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164958114 722051775 /nfs/dbraw/zinc/05/17/75/722051775.db2.gz CRAATRYLXIGNRU-UHFFFAOYSA-N 0 3 424.545 3.081 20 0 HGADHN FC(F)(c1ccnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986543 722100473 /nfs/dbraw/zinc/10/04/73/722100473.db2.gz ZGZOVUHCEZCHKK-WMZOPIPTSA-N 0 3 408.880 3.402 20 0 HGADHN c1ccc(-c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984721 722104662 /nfs/dbraw/zinc/10/46/62/722104662.db2.gz UEBFQJKJTJFHRQ-YADHBBJMSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cn1 ZINC001164982179 722109671 /nfs/dbraw/zinc/10/96/71/722109671.db2.gz WCYNLUCMQOMAMA-QUCCMNQESA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164975660 722110538 /nfs/dbraw/zinc/11/05/38/722110538.db2.gz KEQIMXURVIJJDY-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2c1CCCC2 ZINC001164970861 722113154 /nfs/dbraw/zinc/11/31/54/722113154.db2.gz AAQIZFWVPWVFFF-YLJYHZDGSA-N 0 3 413.953 3.131 20 0 HGADHN COc1ccc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980961 722132823 /nfs/dbraw/zinc/13/28/23/722132823.db2.gz OGLNRLBBEMEMMR-NFBKMPQASA-N 0 3 404.514 3.366 20 0 HGADHN CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975200 722135835 /nfs/dbraw/zinc/13/58/35/722135835.db2.gz FQVPZPGWTKNJKV-QUCCMNQESA-N 0 3 420.561 3.378 20 0 HGADHN COc1cccc2c1ccnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972817 722146503 /nfs/dbraw/zinc/14/65/03/722146503.db2.gz ARYLSBFNYSQPFK-WMZHIEFXSA-N 0 3 404.514 3.366 20 0 HGADHN Cc1csc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164984573 722148126 /nfs/dbraw/zinc/14/81/26/722148126.db2.gz XCVLXYQBZOZZEU-RBUKOAKNSA-N 0 3 409.559 3.430 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@@H]3C2)c1 ZINC001164974801 722152131 /nfs/dbraw/zinc/15/21/31/722152131.db2.gz QRLIEBRMWFLKFT-GGAORHGYSA-N 0 3 408.546 3.273 20 0 HGADHN Cc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1C ZINC001164972652 722152500 /nfs/dbraw/zinc/15/25/00/722152500.db2.gz IVMMVXOCEGGQHZ-NFBKMPQASA-N 0 3 403.530 3.369 20 0 HGADHN CN1CCN(c2cccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164995944 722203354 /nfs/dbraw/zinc/20/33/54/722203354.db2.gz QEXBFAZPMFIGSE-XMMPIXPASA-N 0 3 409.553 3.217 20 0 HGADHN O=C1CCC(=O)N1Cc1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164995509 722203986 /nfs/dbraw/zinc/20/39/86/722203986.db2.gz NXIRLRHPVPANQU-DEOSSOPVSA-N 0 3 422.504 3.115 20 0 HGADHN O=C1C[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999234 722220240 /nfs/dbraw/zinc/22/02/40/722220240.db2.gz OHCLEWVVICCCFI-DEOSSOPVSA-N 0 3 420.513 3.040 20 0 HGADHN COc1ccc(C[C@](C)(CO)NCc2cn3ccc(Br)cc3n2)cc1 ZINC001474257556 1126203834 /nfs/dbraw/zinc/20/38/34/1126203834.db2.gz JNMRDMXMIDANST-LJQANCHMSA-N 0 3 404.308 3.189 20 0 HGADHN FC(F)(F)[C@@H]1N(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CCC12CC[NH2+]CC2 ZINC001164387317 718815184 /nfs/dbraw/zinc/81/51/84/718815184.db2.gz FNMOHNLDMUHYIU-SNVBAGLBSA-N 0 3 402.820 3.474 20 0 HGADHN CCOC(=O)c1ncnc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164625986 719093251 /nfs/dbraw/zinc/09/32/51/719093251.db2.gz HVOLGXXATQPDKE-IRXDYDNUSA-N 0 3 400.910 3.408 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2CN2CCCC2)cs1 ZINC001164818345 720260919 /nfs/dbraw/zinc/26/09/19/720260919.db2.gz YSOSXXJTPXLVPU-PMACEKPBSA-N 0 3 411.575 3.212 20 0 HGADHN CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725400 720379821 /nfs/dbraw/zinc/37/98/21/720379821.db2.gz NFOLIKPSHNJBMZ-VQTJNVASSA-N 0 3 403.486 3.055 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825781 720392136 /nfs/dbraw/zinc/39/21/36/720392136.db2.gz VIGJJECOEFKKEN-KCZVDYSFSA-N 0 3 414.575 3.394 20 0 HGADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)c1 ZINC001164734741 720442285 /nfs/dbraw/zinc/44/22/85/720442285.db2.gz TZXBXDOVVJNCPI-NHCUHLMSSA-N 0 3 415.497 3.163 20 0 HGADHN COC(=O)c1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c2ccccc2c1OC ZINC001164735070 720461074 /nfs/dbraw/zinc/46/10/74/720461074.db2.gz VMWBOBHGKAUJSN-UXHICEINSA-N 0 3 418.497 3.278 20 0 HGADHN CC(C)(C)c1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2s1 ZINC001164743210 720657859 /nfs/dbraw/zinc/65/78/59/720657859.db2.gz XBRONWLHIBIQOW-CABCVRRESA-N 0 3 410.547 3.121 20 0 HGADHN Cc1csc2c1nc(Cl)cc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737878 720735351 /nfs/dbraw/zinc/73/53/51/720735351.db2.gz DDLBAHAXKDIQAH-ZIAGYGMSSA-N 0 3 401.923 3.390 20 0 HGADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164742939 720782996 /nfs/dbraw/zinc/78/29/96/720782996.db2.gz PQYOINHLSFGUGW-UXHICEINSA-N 0 3 424.508 3.429 20 0 HGADHN c1ccc2c(c1)cccc2-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164742938 720783791 /nfs/dbraw/zinc/78/37/91/720783791.db2.gz PQYOINHLSFGUGW-PMACEKPBSA-N 0 3 424.508 3.429 20 0 HGADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748901 720792041 /nfs/dbraw/zinc/79/20/41/720792041.db2.gz RVBRDRQTFZODOV-UONOGXRCSA-N 0 3 417.300 3.069 20 0 HGADHN COc1cc2cnc(Cl)cc2cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749829 720807385 /nfs/dbraw/zinc/80/73/85/720807385.db2.gz UPKWFEQHBRGWQG-IRXDYDNUSA-N 0 3 411.893 3.029 20 0 HGADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868731 721055338 /nfs/dbraw/zinc/05/53/38/721055338.db2.gz QEIAVNRWQBHIAY-DLBZAZTESA-N 0 3 413.884 3.297 20 0 HGADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868733 721056411 /nfs/dbraw/zinc/05/64/11/721056411.db2.gz QEIAVNRWQBHIAY-IAGOWNOFSA-N 0 3 413.884 3.297 20 0 HGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164870249 721140948 /nfs/dbraw/zinc/14/09/48/721140948.db2.gz CAMNNGDAKQUJSU-RBBKRZOGSA-N 0 3 417.513 3.027 20 0 HGADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880736 721183306 /nfs/dbraw/zinc/18/33/06/721183306.db2.gz XJLHLSBQYMOXNE-RBUKOAKNSA-N 0 3 422.920 3.067 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)C[C@H]3C2)cn1 ZINC001164762041 721189100 /nfs/dbraw/zinc/18/91/00/721189100.db2.gz CCTAQZYGCRCHOB-ZIAGYGMSSA-N 0 3 418.332 3.023 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5cccc(Cl)c5)ncn4)C[C@H]3C2)cn1 ZINC001164773857 721210823 /nfs/dbraw/zinc/21/08/23/721210823.db2.gz XMCHNJGYTSENCQ-RTBURBONSA-N 0 3 408.937 3.489 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4cc5nc(Cl)cnc5cc4F)C[C@H]3C2)cn1 ZINC001164768519 721213612 /nfs/dbraw/zinc/21/36/12/721213612.db2.gz LFCDNGSEJVJQBN-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(Cl)nc4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164772370 721216344 /nfs/dbraw/zinc/21/63/44/721216344.db2.gz TXSUEOUSTIEUHJ-MOPGFXCFSA-N 0 3 408.937 3.489 20 0 HGADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164763911 721230922 /nfs/dbraw/zinc/23/09/22/721230922.db2.gz OBBANONZPVRUPC-OALUTQOASA-N 0 3 423.952 3.192 20 0 HGADHN COc1ccc2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164885161 721419671 /nfs/dbraw/zinc/41/96/71/721419671.db2.gz GCDMAMWPDPPZGX-URXFXBBRSA-N 0 3 410.562 3.009 20 0 HGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901056 721508582 /nfs/dbraw/zinc/50/85/82/721508582.db2.gz WFPFUHCKFXFWDS-SJLPKXTDSA-N 0 3 419.884 3.393 20 0 HGADHN CCOC(=O)/C=C\c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902236 721513157 /nfs/dbraw/zinc/51/31/57/721513157.db2.gz ZZNUCMNUTZVNKX-VXAHRBNNSA-N 0 3 411.477 3.139 20 0 HGADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897062 721513684 /nfs/dbraw/zinc/51/36/84/721513684.db2.gz DMORBQPMIUKFQP-NVXWUHKLSA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164900661 721514711 /nfs/dbraw/zinc/51/47/11/721514711.db2.gz SORNLRDCRBXZTC-NVXWUHKLSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CCCC5)CCN3C2)c1 ZINC001164901346 721520765 /nfs/dbraw/zinc/52/07/65/721520765.db2.gz WPOSTCZNXGKJGG-RDJZCZTQSA-N 0 3 402.901 3.490 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)c5c4CCCC5)CCN3C2)c1 ZINC001164903489 721530432 /nfs/dbraw/zinc/53/04/32/721530432.db2.gz CZPYLHOLKLCNHH-RDJZCZTQSA-N 0 3 402.901 3.490 20 0 HGADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904721 721534674 /nfs/dbraw/zinc/53/46/74/721534674.db2.gz GBYGUXCSQMWERI-ICSRJNTNSA-N 0 3 412.509 3.091 20 0 HGADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164909743 721540564 /nfs/dbraw/zinc/54/05/64/721540564.db2.gz RSSLAYONYNGFFI-ICSRJNTNSA-N 0 3 413.493 3.356 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5cccnc5F)n4)CCN3C2)c1 ZINC001164911166 721545463 /nfs/dbraw/zinc/54/54/63/721545463.db2.gz VOIZYFCDMLNORM-WMZOPIPTSA-N 0 3 409.440 3.159 20 0 HGADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909713 721558726 /nfs/dbraw/zinc/55/87/26/721558726.db2.gz UPMBTXSAPYDAQD-TZIWHRDSSA-N 0 3 405.477 3.328 20 0 HGADHN CC(=O)Nc1c(C)ccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904848 721720666 /nfs/dbraw/zinc/72/06/66/721720666.db2.gz DKHQLVHFUJFYFF-OAQYLSRUSA-N 0 3 415.488 3.481 20 0 HGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN(C4CCCC4)CC3)nc2N1C1CCCC1 ZINC001165027975 721856394 /nfs/dbraw/zinc/85/63/94/721856394.db2.gz FLHXAWMFOQTNMZ-LJQANCHMSA-N 0 3 412.582 3.045 20 0 HGADHN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2cc(CN(C)C)ccn2)C3)n1 ZINC001164962723 722027463 /nfs/dbraw/zinc/02/74/63/722027463.db2.gz ROBZAFYRYYSJSJ-LADGPHEKSA-N 0 3 410.562 3.439 20 0 HGADHN COc1cc(Cl)ncc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962341 722054932 /nfs/dbraw/zinc/05/49/32/722054932.db2.gz DDPNZUPSFYNUAK-UHFFFAOYSA-N 0 3 402.926 3.258 20 0 HGADHN FC(F)(c1cnnc(Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964520 722056261 /nfs/dbraw/zinc/05/62/61/722056261.db2.gz VIYQZCUYPDMYCU-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN c1ccc(Oc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164979344 722105703 /nfs/dbraw/zinc/10/57/03/722105703.db2.gz ICNDKDLLEBSEER-IFMALSPDSA-N 0 3 417.513 3.391 20 0 HGADHN c1ccc(Oc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164979348 722105855 /nfs/dbraw/zinc/10/58/55/722105855.db2.gz ICNDKDLLEBSEER-IRLDBZIGSA-N 0 3 417.513 3.391 20 0 HGADHN CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975199 722135934 /nfs/dbraw/zinc/13/59/34/722135934.db2.gz FQVPZPGWTKNJKV-ICSRJNTNSA-N 0 3 420.561 3.378 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccncc5)cn4)CC[C@H]3C2)c1 ZINC001164985472 722138345 /nfs/dbraw/zinc/13/83/45/722138345.db2.gz ZPGZUAMJQJUGRO-GOTSBHOMSA-N 0 3 401.514 3.266 20 0 HGADHN Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973129 722144470 /nfs/dbraw/zinc/14/44/70/722144470.db2.gz BAPRDOZEDRUVFW-MOPGFXCFSA-N 0 3 413.953 3.438 20 0 HGADHN Fc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164976121 722145839 /nfs/dbraw/zinc/14/58/39/722145839.db2.gz HGYTXDWOHLMPFG-NZQKXSOJSA-N 0 3 419.504 3.405 20 0 HGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(C)nc2c1 ZINC001164976072 722146246 /nfs/dbraw/zinc/14/62/46/722146246.db2.gz GYARHEFXVSRBGM-XXBNENTESA-N 0 3 419.529 3.069 20 0 HGADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cnc(C2OCCO2)s1 ZINC001179277774 1126151867 /nfs/dbraw/zinc/15/18/67/1126151867.db2.gz MXJDMIQFKVYQAW-QGZVFWFLSA-N 0 3 413.337 3.034 20 0 HGADHN COc1ccccc1C[C@](C)(CO)NCc1nc2ccc(Br)cc2n1C ZINC001560102352 1126208046 /nfs/dbraw/zinc/20/80/46/1126208046.db2.gz LYPRWVJYIDXZHG-HXUWFJFHSA-N 0 3 418.335 3.428 20 0 HGADHN Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CCN(C)CC1)c2-n1cccc1 ZINC000020465939 568610374 /nfs/dbraw/zinc/61/03/74/568610374.db2.gz FGRNMYXLHLYMHL-UHFFFAOYSA-N 0 3 411.575 3.071 20 0 HGADHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818130 720152018 /nfs/dbraw/zinc/15/20/18/720152018.db2.gz RVGKBGYROHHJPD-CXAGYDPISA-N 0 3 418.941 3.148 20 0 HGADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818130 720152020 /nfs/dbraw/zinc/15/20/20/720152020.db2.gz RVGKBGYROHHJPD-CXAGYDPISA-N 0 3 418.941 3.148 20 0 HGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727073 720386268 /nfs/dbraw/zinc/38/62/68/720386268.db2.gz QFEAVNREQVDLBY-RTBURBONSA-N 0 3 423.904 3.318 20 0 HGADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737562 720677270 /nfs/dbraw/zinc/67/72/70/720677270.db2.gz GECIPGOTGKGKCR-PMACEKPBSA-N 0 3 424.508 3.429 20 0 HGADHN O=C(N[C@H]1CCO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1ccccc1 ZINC001164858409 720900973 /nfs/dbraw/zinc/90/09/73/720900973.db2.gz NIPGSLOIPSAGNB-DHLKQENFSA-N 0 3 420.557 3.235 20 0 HGADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866860 721072139 /nfs/dbraw/zinc/07/21/39/721072139.db2.gz GJLYGNGPUBMWPE-HZPDHXFCSA-N 0 3 413.884 3.297 20 0 HGADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164866966 721082257 /nfs/dbraw/zinc/08/22/57/721082257.db2.gz VRXLBUUMFSVPSS-MSOLQXFVSA-N 0 3 413.953 3.274 20 0 HGADHN CSc1nc2ccccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867332 721097655 /nfs/dbraw/zinc/09/76/55/721097655.db2.gz XXWBRTXRZYZZIP-ROUUACIJSA-N 0 3 407.543 3.226 20 0 HGADHN COc1cccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164867347 721115005 /nfs/dbraw/zinc/11/50/05/721115005.db2.gz YDWJBMQVUDFGES-IRLDBZIGSA-N 0 3 417.513 3.027 20 0 HGADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164870247 721140148 /nfs/dbraw/zinc/14/01/48/721140148.db2.gz CAMNNGDAKQUJSU-IRLDBZIGSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccccc1-c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164877634 721163607 /nfs/dbraw/zinc/16/36/07/721163607.db2.gz PJPGKZHWGYNQBH-OALUTQOASA-N 0 3 405.477 3.157 20 0 HGADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001164871082 721166561 /nfs/dbraw/zinc/16/65/61/721166561.db2.gz DINJZMUNUCNYPM-UXHICEINSA-N 0 3 420.517 3.130 20 0 HGADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871664 721183472 /nfs/dbraw/zinc/18/34/72/721183472.db2.gz GDYUQSYLMTYNPP-YADHBBJMSA-N 0 3 419.504 3.466 20 0 HGADHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164875429 721185333 /nfs/dbraw/zinc/18/53/33/721185333.db2.gz LPLVJUBERYDGGC-UXHICEINSA-N 0 3 419.504 3.466 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(CSc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164769860 721238094 /nfs/dbraw/zinc/23/80/94/721238094.db2.gz ZWFPFABCCCHRLV-PMACEKPBSA-N 0 3 420.586 3.461 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878091 721259130 /nfs/dbraw/zinc/25/91/30/721259130.db2.gz SCSWKJQIZGQMAF-XUZZJYLKSA-N 0 3 408.546 3.091 20 0 HGADHN COc1ccc2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164895425 721426747 /nfs/dbraw/zinc/42/67/47/721426747.db2.gz OXBOPXRTFZBOQZ-URXFXBBRSA-N 0 3 410.562 3.009 20 0 HGADHN COc1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164895427 721427156 /nfs/dbraw/zinc/42/71/56/721427156.db2.gz OXBOPXRTFZBOQZ-ZJSXRUAMSA-N 0 3 410.562 3.009 20 0 HGADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900261 721511095 /nfs/dbraw/zinc/51/10/95/721511095.db2.gz PGBGVPIUZUOMIM-HOCLYGCPSA-N 0 3 405.857 3.003 20 0 HGADHN COc1cc2ncc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2cc1OC ZINC001164905202 721531181 /nfs/dbraw/zinc/53/11/81/721531181.db2.gz GNPSHJCHAWJTJF-SJLPKXTDSA-N 0 3 424.476 3.128 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)c2c1 ZINC001164912009 721540997 /nfs/dbraw/zinc/54/09/97/721540997.db2.gz YDDVAFXYBDTDCT-FXAWDEMLSA-N 0 3 408.477 3.428 20 0 HGADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903472 721546336 /nfs/dbraw/zinc/54/63/36/721546336.db2.gz CWXFKZIINIJVAT-AZUAARDMSA-N 0 3 412.509 3.091 20 0 HGADHN CCOCc1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909836 721549506 /nfs/dbraw/zinc/54/95/06/721549506.db2.gz SBNRSBCRPUFTNZ-SJLPKXTDSA-N 0 3 406.889 3.148 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(C)nc2c1 ZINC001164910342 721558477 /nfs/dbraw/zinc/55/84/77/721558477.db2.gz WJHBFNMACODGLV-FXAWDEMLSA-N 0 3 408.477 3.428 20 0 HGADHN CSc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164907227 721566268 /nfs/dbraw/zinc/56/62/68/721566268.db2.gz MWLAYWIKSNVDQC-HOCLYGCPSA-N 0 3 406.552 3.401 20 0 HGADHN FC(F)(c1nccnc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962304 722058914 /nfs/dbraw/zinc/05/89/14/722058914.db2.gz QPBHFBLTZMAPDQ-UHFFFAOYSA-N 0 3 423.895 3.189 20 0 HGADHN Clc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc12 ZINC001164984135 722103999 /nfs/dbraw/zinc/10/39/99/722103999.db2.gz RUDFFNDYBAKUKF-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986631 722104437 /nfs/dbraw/zinc/10/44/37/722104437.db2.gz ZQRFUTZOTRQEHF-NHCUHLMSSA-N 0 3 424.545 3.159 20 0 HGADHN Clc1ccnc2c1ccnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975477 722104629 /nfs/dbraw/zinc/10/46/29/722104629.db2.gz BZHNETSATLJWKM-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN COc1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979915 722107072 /nfs/dbraw/zinc/10/70/72/722107072.db2.gz IIQFCPSQKZJBAM-NZQKXSOJSA-N 0 3 404.514 3.366 20 0 HGADHN Clc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cn1 ZINC001164982175 722109868 /nfs/dbraw/zinc/10/98/68/722109868.db2.gz WCYNLUCMQOMAMA-AZUAARDMSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982136 722110142 /nfs/dbraw/zinc/11/01/42/722110142.db2.gz WCEXXTCXCGMNLJ-LAUBAEHRSA-N 0 3 409.921 3.406 20 0 HGADHN CCOc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971432 722122603 /nfs/dbraw/zinc/12/26/03/722122603.db2.gz CKWSGGHOIYFLSD-XXBNENTESA-N 0 3 419.529 3.151 20 0 HGADHN CCOc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971425 722122652 /nfs/dbraw/zinc/12/26/52/722122652.db2.gz CKWSGGHOIYFLSD-AUSIDOKSSA-N 0 3 419.529 3.151 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)nn1 ZINC001164979701 722143055 /nfs/dbraw/zinc/14/30/55/722143055.db2.gz LTJUJBGYAWGQLX-WMZOPIPTSA-N 0 3 423.895 3.106 20 0 HGADHN c1cc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cs1 ZINC001164976197 722151828 /nfs/dbraw/zinc/15/18/28/722151828.db2.gz UWJGXGLYAVDELH-RXVVDRJESA-N 0 3 407.543 3.327 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164971080 722154896 /nfs/dbraw/zinc/15/48/96/722154896.db2.gz ALJRQKOBIMEPRI-YADHBBJMSA-N 0 3 423.561 3.168 20 0 HGADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cnnn1-c1ccccc1 ZINC001560182442 1126208635 /nfs/dbraw/zinc/20/86/35/1126208635.db2.gz DWUWTZKMZMMLLJ-IBGZPJMESA-N 0 3 401.308 3.113 20 0 HGADHN CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725398 720379733 /nfs/dbraw/zinc/37/97/33/720379733.db2.gz NFOLIKPSHNJBMZ-PMACEKPBSA-N 0 3 403.486 3.055 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825790 720391810 /nfs/dbraw/zinc/39/18/10/720391810.db2.gz VIGJJECOEFKKEN-TUNNFDKTSA-N 0 3 414.575 3.394 20 0 HGADHN COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c(OC)c1 ZINC001164735368 720457883 /nfs/dbraw/zinc/45/78/83/720457883.db2.gz WQXFFJDUPXAMDD-YADHBBJMSA-N 0 3 417.513 3.409 20 0 HGADHN COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)c1 ZINC001164735042 720458559 /nfs/dbraw/zinc/45/85/59/720458559.db2.gz VEMXZXBXEVZYMF-FGZHOGPDSA-N 0 3 417.513 3.409 20 0 HGADHN COc1cc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ccc2c(OC)c1 ZINC001164746284 720594424 /nfs/dbraw/zinc/59/44/24/720594424.db2.gz WXJOZQYEGRONMU-UHFFFAOYSA-N 0 3 407.518 3.107 20 0 HGADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164745078 720606847 /nfs/dbraw/zinc/60/68/47/720606847.db2.gz UHGKALSVHGOEKF-ZIAGYGMSSA-N 0 3 417.300 3.069 20 0 HGADHN CC(C)(C)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164737239 720755620 /nfs/dbraw/zinc/75/56/20/720755620.db2.gz BGXXWHTZJITIKF-IAGOWNOFSA-N 0 3 410.566 3.204 20 0 HGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164738500 720756080 /nfs/dbraw/zinc/75/60/80/720756080.db2.gz FVDMPTPZSDMJMA-HZPDHXFCSA-N 0 3 422.558 3.010 20 0 HGADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001164853652 720817573 /nfs/dbraw/zinc/81/75/73/720817573.db2.gz RJVPNNQDSITKAF-AUSIDOKSSA-N 0 3 413.949 3.277 20 0 HGADHN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001164853654 720817730 /nfs/dbraw/zinc/81/77/30/720817730.db2.gz RJVPNNQDSITKAF-WMZHIEFXSA-N 0 3 413.949 3.277 20 0 HGADHN CCOC(=O)c1cnc2cc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)[nH]cc1-2 ZINC001164856360 720997260 /nfs/dbraw/zinc/99/72/60/720997260.db2.gz BWFHWKBSEBWUMP-OAHLLOKOSA-N 0 3 410.522 3.358 20 0 HGADHN CCc1c(Cl)nnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1CC ZINC001164865765 721092403 /nfs/dbraw/zinc/09/24/03/721092403.db2.gz PHDKRSVTTQTSCM-SJORKVTESA-N 0 3 401.942 3.130 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccnc(Cl)c5)ccn4)C[C@H]3C2)cn1 ZINC001164770465 721096644 /nfs/dbraw/zinc/09/66/44/721096644.db2.gz QMALDHGQJDWABB-WOJBJXKFSA-N 0 3 408.937 3.489 20 0 HGADHN CSc1nc2ccccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867333 721097158 /nfs/dbraw/zinc/09/71/58/721097158.db2.gz XXWBRTXRZYZZIP-ZWKOTPCHSA-N 0 3 407.543 3.226 20 0 HGADHN Cc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866633 721118941 /nfs/dbraw/zinc/11/89/41/721118941.db2.gz UHQLXNZVJXZOKX-ZWKOTPCHSA-N 0 3 409.921 3.466 20 0 HGADHN Cc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164880443 721138696 /nfs/dbraw/zinc/13/86/96/721138696.db2.gz WRVPPKWPIFZYTK-FGZHOGPDSA-N 0 3 401.514 3.327 20 0 HGADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5sc6c(c54)CCC6)CCN3C2)c1 ZINC001164876436 721140637 /nfs/dbraw/zinc/14/06/37/721140637.db2.gz MLDVJRXKMUXIGJ-DLBZAZTESA-N 0 3 407.543 3.055 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771343 721143385 /nfs/dbraw/zinc/14/33/85/721143385.db2.gz SGJFEEGYZVNDSB-OALUTQOASA-N 0 3 405.550 3.238 20 0 HGADHN Fc1cc2ncc(Cl)nc2cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877062 721158824 /nfs/dbraw/zinc/15/88/24/721158824.db2.gz OQTCUZQDXLRMBP-HOTGVXAUSA-N 0 3 413.884 3.297 20 0 HGADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164878984 721169462 /nfs/dbraw/zinc/16/94/62/721169462.db2.gz RDHUHKQGKVBLLR-IRXDYDNUSA-N 0 3 413.884 3.297 20 0 HGADHN Cc1c(Cl)nc(C(C)C)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871552 721180609 /nfs/dbraw/zinc/18/06/09/721180609.db2.gz FGOJKLLZSYCADL-ZWKOTPCHSA-N 0 3 401.942 3.437 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(Cl)nc4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164772373 721215939 /nfs/dbraw/zinc/21/59/39/721215939.db2.gz TXSUEOUSTIEUHJ-RTBURBONSA-N 0 3 408.937 3.489 20 0 HGADHN Cc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164763913 721231030 /nfs/dbraw/zinc/23/10/30/721231030.db2.gz OBBANONZPVRUPC-RTBURBONSA-N 0 3 423.952 3.192 20 0 HGADHN CN(C)Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c1 ZINC001164878088 721259074 /nfs/dbraw/zinc/25/90/74/721259074.db2.gz SCSWKJQIZGQMAF-URXFXBBRSA-N 0 3 408.546 3.091 20 0 HGADHN CN1Cc2ccccc2CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)C1=O ZINC001164896227 721473570 /nfs/dbraw/zinc/47/35/70/721473570.db2.gz VXNTVJGMEHBLBC-UHFFFAOYSA-N 0 3 404.558 3.479 20 0 HGADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901712 721510209 /nfs/dbraw/zinc/51/02/09/721510209.db2.gz YDTBOJGHHCMLOC-ZBFHGGJFSA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901708 721510442 /nfs/dbraw/zinc/51/04/42/721510442.db2.gz YDTBOJGHHCMLOC-GDBMZVCRSA-N 0 3 405.857 3.003 20 0 HGADHN COC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164906364 721531584 /nfs/dbraw/zinc/53/15/84/721531584.db2.gz KDDJYQZDBFGJLH-ZBFHGGJFSA-N 0 3 405.857 3.003 20 0 HGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5ncsc54)CCN3C2)c1 ZINC001164908607 721536138 /nfs/dbraw/zinc/53/61/38/721536138.db2.gz PUODREVGXFWMMC-JSGCOSHPSA-N 0 3 405.886 3.221 20 0 HGADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164909739 721540504 /nfs/dbraw/zinc/54/05/04/721540504.db2.gz RSSLAYONYNGFFI-AZUAARDMSA-N 0 3 413.493 3.356 20 0 HGADHN CC1CCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164911662 721554924 /nfs/dbraw/zinc/55/49/24/721554924.db2.gz ZKJCFWBXWLRIKU-PZJWPPBQSA-N 0 3 411.525 3.194 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc(-c5cccc(F)c5)n4)CCN3C2)c1 ZINC001164903524 721557292 /nfs/dbraw/zinc/55/72/92/721557292.db2.gz BZMQVKNGENSJJA-QUCCMNQESA-N 0 3 409.440 3.159 20 0 HGADHN CSc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164907226 721566458 /nfs/dbraw/zinc/56/64/58/721566458.db2.gz MWLAYWIKSNVDQC-GOEBONIOSA-N 0 3 406.552 3.401 20 0 HGADHN CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164902204 721584033 /nfs/dbraw/zinc/58/40/33/721584033.db2.gz CVCXISNJNKNBOI-NRFANRHFSA-N 0 3 416.472 3.391 20 0 HGADHN FC(F)(c1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983407 722100772 /nfs/dbraw/zinc/10/07/72/722100772.db2.gz PYVPYQKCSVHCAO-IAGOWNOFSA-N 0 3 408.880 3.402 20 0 HGADHN Cc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164975000 722109590 /nfs/dbraw/zinc/10/95/90/722109590.db2.gz JEDBUHGQVQZAGQ-IRXDYDNUSA-N 0 3 423.895 3.106 20 0 HGADHN CCOc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981536 722114857 /nfs/dbraw/zinc/11/48/57/722114857.db2.gz ULVPKFUMFIWVRM-PKOBYXMFSA-N 0 3 402.926 3.256 20 0 HGADHN Clc1ccnc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977301 722125826 /nfs/dbraw/zinc/12/58/26/722125826.db2.gz MMTIRQRAWBTOFV-YLJYHZDGSA-N 0 3 409.921 3.406 20 0 HGADHN CCCN(CCC)c1cncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983831 722131812 /nfs/dbraw/zinc/13/18/12/722131812.db2.gz VNEPVHRWHPIXTC-FCHUYYIVSA-N 0 3 424.593 3.225 20 0 HGADHN Clc1ccnc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164978085 722135912 /nfs/dbraw/zinc/13/59/12/722135912.db2.gz JQUUOAADWVJPOI-XLIONFOSSA-N 0 3 409.921 3.406 20 0 HGADHN c1csc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164983332 722145245 /nfs/dbraw/zinc/14/52/45/722145245.db2.gz UGSLUEZKVLDYQW-ICSRJNTNSA-N 0 3 407.543 3.327 20 0 HGADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccco2)n1 ZINC001164983862 722147545 /nfs/dbraw/zinc/14/75/45/722147545.db2.gz VWQMEYOWTNZJAR-FPOVZHCZSA-N 0 3 405.502 3.167 20 0 HGADHN Cc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)o1 ZINC001164974401 722147719 /nfs/dbraw/zinc/14/77/19/722147719.db2.gz DRMFDXAFNSDCAI-SIKLNZKXSA-N 0 3 405.502 3.167 20 0 HGADHN CC(C)c1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973361 722153374 /nfs/dbraw/zinc/15/33/74/722153374.db2.gz LXYYDISJJXIYRI-ROUUACIJSA-N 0 3 401.942 3.376 20 0 HGADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164994972 722192879 /nfs/dbraw/zinc/19/28/79/722192879.db2.gz RDDHBPWZUKNLKW-XMMPIXPASA-N 0 3 410.537 3.298 20 0 HGADHN O=C1C[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999235 722220365 /nfs/dbraw/zinc/22/03/65/722220365.db2.gz OHCLEWVVICCCFI-XMMPIXPASA-N 0 3 420.513 3.040 20 0 HGADHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1OC ZINC001308116598 1126163154 /nfs/dbraw/zinc/16/31/54/1126163154.db2.gz AWQFLPJPABTFBH-HSZRJFAPSA-N 0 3 423.469 3.182 20 0 HGADHN CCOC(=O)c1ncc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001460872205 1126193310 /nfs/dbraw/zinc/19/33/10/1126193310.db2.gz UMOSRKJAKOIVBU-QGZVFWFLSA-N 0 3 413.337 3.166 20 0 HGADHN COC(=O)c1cccc(CN[C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1Cl ZINC001473840058 1126200435 /nfs/dbraw/zinc/20/04/35/1126200435.db2.gz PIQXOHCCFBAASL-NRFANRHFSA-N 0 3 407.894 3.227 20 0 HGADHN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1)C(F)(F)F ZINC001473751356 1126198803 /nfs/dbraw/zinc/19/88/03/1126198803.db2.gz UCBGRZVZHYRQIV-NHCUHLMSSA-N 0 3 408.464 3.143 20 0 HGADHN CC(C)N(C)Cc1nn(C(F)(F)c2c[nH]c3nc(Cl)ccc23)c2c1CCNC2 ZINC001164681103 719623298 /nfs/dbraw/zinc/62/32/98/719623298.db2.gz AIKDKKATNRJGGN-UHFFFAOYSA-N 0 3 408.884 3.496 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164683947 719706857 /nfs/dbraw/zinc/70/68/57/719706857.db2.gz MFZRYFOJWWWJTC-UHFFFAOYSA-N 0 3 401.580 3.170 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164689341 719746554 /nfs/dbraw/zinc/74/65/54/719746554.db2.gz BPJCTRSJOACXCV-UHFFFAOYSA-N 0 3 417.916 3.117 20 0 HGADHN Cc1nc(N2CCCC2)cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164695679 719887511 /nfs/dbraw/zinc/88/75/11/719887511.db2.gz QPDVDXACQCYPBE-UHFFFAOYSA-N 0 3 413.591 3.318 20 0 HGADHN COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818133 720151751 /nfs/dbraw/zinc/15/17/51/720151751.db2.gz RVGKBGYROHHJPD-DYVFJYSZSA-N 0 3 418.941 3.148 20 0 HGADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164818133 720151762 /nfs/dbraw/zinc/15/17/62/720151762.db2.gz RVGKBGYROHHJPD-DYVFJYSZSA-N 0 3 418.941 3.148 20 0 HGADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(CN(C)C3CC3)cn2)cs1 ZINC001164816041 720258985 /nfs/dbraw/zinc/25/89/85/720258985.db2.gz FOTVAYGUBNJJJB-WOJBJXKFSA-N 0 3 411.575 3.211 20 0 HGADHN CCOC(=O)c1sc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164728385 720330221 /nfs/dbraw/zinc/33/02/21/720330221.db2.gz VLLHWSNPOQLXGW-DLBZAZTESA-N 0 3 423.542 3.425 20 0 HGADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164726649 720341027 /nfs/dbraw/zinc/34/10/27/720341027.db2.gz QTIUWCQPZBUDMP-WOJBJXKFSA-N 0 3 403.486 3.055 20 0 HGADHN CCOC(=O)c1ccc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164725350 720384374 /nfs/dbraw/zinc/38/43/74/720384374.db2.gz MTGQAMCJLNXUQJ-LEWJYISDSA-N 0 3 403.486 3.055 20 0 HGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1)C1CC1 ZINC001164731538 720429845 /nfs/dbraw/zinc/42/98/45/720429845.db2.gz LQDXAKXIKMEAKY-FKBYEOEOSA-N 0 3 406.530 3.387 20 0 HGADHN COc1ccc(OC)c(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)c1 ZINC001164735041 720458919 /nfs/dbraw/zinc/45/89/19/720458919.db2.gz VEMXZXBXEVZYMF-FCHUYYIVSA-N 0 3 417.513 3.409 20 0 HGADHN c1ccc(-c2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc3ccccc32)cc1 ZINC001164739304 720689913 /nfs/dbraw/zinc/68/99/13/720689913.db2.gz MVZXXMKFDXWLKA-WOJBJXKFSA-N 0 3 424.508 3.429 20 0 HGADHN FC(F)(COc1cccc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838661 720738706 /nfs/dbraw/zinc/73/87/06/720738706.db2.gz VQQDACFJBKUEFA-UHFFFAOYSA-N 0 3 411.884 3.451 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@H]3[C@@H](CCN3c3ncccc3CN3CCCC3)O2)nc1 ZINC001164843769 720779476 /nfs/dbraw/zinc/77/94/76/720779476.db2.gz AOXPWPKXCNVCRX-RJGXRXQPSA-N 0 3 408.546 3.416 20 0 HGADHN O=C(N[C@@H]1CCO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1ccccc1 ZINC001164858414 720900621 /nfs/dbraw/zinc/90/06/21/720900621.db2.gz NIPGSLOIPSAGNB-RDGATRHJSA-N 0 3 420.557 3.235 20 0 HGADHN c1ccc(CO[C@@H]2CO[C@@]3(C2)CCCN(c2ccc(CN4CCCC4)cn2)C3)nc1 ZINC001164771057 721030475 /nfs/dbraw/zinc/03/04/75/721030475.db2.gz ZIYLKQRKCUFMAH-LADGPHEKSA-N 0 3 408.546 3.417 20 0 HGADHN CSc1nc2sccc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765632 721083662 /nfs/dbraw/zinc/08/36/62/721083662.db2.gz JFEIPAWHINZPLE-CABCVRRESA-N 0 3 400.577 3.105 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164771196 721084286 /nfs/dbraw/zinc/08/42/86/721084286.db2.gz ROEOECVOWDPORR-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN COc1cccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164867348 721113176 /nfs/dbraw/zinc/11/31/76/721113176.db2.gz YDWJBMQVUDFGES-RBBKRZOGSA-N 0 3 417.513 3.027 20 0 HGADHN Fc1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871075 721160390 /nfs/dbraw/zinc/16/03/90/721160390.db2.gz DHVWITMWQXVJGS-PZJWPPBQSA-N 0 3 421.476 3.283 20 0 HGADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164879053 721163109 /nfs/dbraw/zinc/16/31/09/721163109.db2.gz ROTJYRKVKMHVOY-QZTJIDSGSA-N 0 3 423.467 3.297 20 0 HGADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164872525 721165302 /nfs/dbraw/zinc/16/53/02/721165302.db2.gz HJYLABLMZMHGHP-FCHUYYIVSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164880340 721166862 /nfs/dbraw/zinc/16/68/62/721166862.db2.gz WAANWLNKPDVCSZ-LEWJYISDSA-N 0 3 416.529 3.030 20 0 HGADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)s1 ZINC001164873553 721173187 /nfs/dbraw/zinc/17/31/87/721173187.db2.gz IOYDERMBNDBGML-RTBURBONSA-N 0 3 422.558 3.092 20 0 HGADHN CCN(c1ccccc1)c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164772420 721225541 /nfs/dbraw/zinc/22/55/41/721225541.db2.gz UQENTQXFFXXRGY-LEWJYISDSA-N 0 3 417.561 3.326 20 0 HGADHN Cc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164763910 721231603 /nfs/dbraw/zinc/23/16/03/721231603.db2.gz OBBANONZPVRUPC-MOPGFXCFSA-N 0 3 423.952 3.192 20 0 HGADHN COc1ccc2cnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)cc2c1 ZINC001164894939 721425231 /nfs/dbraw/zinc/42/52/31/721425231.db2.gz NOSRTIFNERBKRT-VWNXMTODSA-N 0 3 410.562 3.009 20 0 HGADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897060 721513525 /nfs/dbraw/zinc/51/35/25/721513525.db2.gz DMORBQPMIUKFQP-DOTOQJQBSA-N 0 3 405.857 3.003 20 0 HGADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901688 721524846 /nfs/dbraw/zinc/52/48/46/721524846.db2.gz XYJNBCYZAIHITI-ZBFHGGJFSA-N 0 3 418.900 3.376 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(C)c2c1 ZINC001164912015 721540445 /nfs/dbraw/zinc/54/04/45/721540445.db2.gz YDDVAFXYBDTDCT-YLJYHZDGSA-N 0 3 408.477 3.428 20 0 HGADHN COCOc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908734 721707079 /nfs/dbraw/zinc/70/70/79/721707079.db2.gz YVAZSYSSAVVALW-FQEVSTJZSA-N 0 3 404.461 3.197 20 0 HGADHN c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3c2ccc(CN3CCCC3)cn2)n1 ZINC001164917588 721810716 /nfs/dbraw/zinc/81/07/16/721810716.db2.gz NOIKITURTLWLFV-JQVVWYNYSA-N 0 3 414.575 3.335 20 0 HGADHN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc(CN3CCCC3)cn2)n1 ZINC001164917584 721810856 /nfs/dbraw/zinc/81/08/56/721810856.db2.gz NOIKITURTLWLFV-CNNODRBYSA-N 0 3 414.575 3.335 20 0 HGADHN Fc1ccccc1N1CCN(c2cc(N3CCN(C4CCCC4)CC3)ncn2)CC1 ZINC001165031564 721860691 /nfs/dbraw/zinc/86/06/91/721860691.db2.gz CAYLHXWPXXHNSW-UHFFFAOYSA-N 0 3 410.541 3.007 20 0 HGADHN Clc1ncnc2[nH]cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c21 ZINC001164961959 722053780 /nfs/dbraw/zinc/05/37/80/722053780.db2.gz ZXNYDBGZNVJFKR-UHFFFAOYSA-N 0 3 412.925 3.077 20 0 HGADHN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164979130 722098042 /nfs/dbraw/zinc/09/80/42/722098042.db2.gz HDVWHBIWZCWJTF-QNWVGRARSA-N 0 3 405.546 3.223 20 0 HGADHN Clc1cccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981602 722105955 /nfs/dbraw/zinc/10/59/55/722105955.db2.gz LTMDNGATOPXPNO-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cn1 ZINC001164982180 722109560 /nfs/dbraw/zinc/10/95/60/722109560.db2.gz WCYNLUCMQOMAMA-UYAOXDASSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc12 ZINC001164982012 722110173 /nfs/dbraw/zinc/11/01/73/722110173.db2.gz VSWBZNYTRFFBLZ-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN Clc1ncnc2scc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164974089 722110770 /nfs/dbraw/zinc/11/07/70/722110770.db2.gz ILJLCQFZKBKCNA-RDJZCZTQSA-N 0 3 415.950 3.467 20 0 HGADHN COc1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164975119 722126561 /nfs/dbraw/zinc/12/65/61/722126561.db2.gz JSRICIXEIPKPEU-NFBKMPQASA-N 0 3 404.514 3.366 20 0 HGADHN CCCN(CCC)c1cncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983832 722131720 /nfs/dbraw/zinc/13/17/20/722131720.db2.gz VNEPVHRWHPIXTC-FGZHOGPDSA-N 0 3 424.593 3.225 20 0 HGADHN Cc1csc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164984571 722147884 /nfs/dbraw/zinc/14/78/84/722147884.db2.gz XCVLXYQBZOZZEU-MOPGFXCFSA-N 0 3 409.559 3.430 20 0 HGADHN CCc1nc2sccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980956 722150100 /nfs/dbraw/zinc/15/01/00/722150100.db2.gz OFZWXTHKQZPEDM-IEBWSBKVSA-N 0 3 409.559 3.376 20 0 HGADHN c1cc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cs1 ZINC001164976195 722152209 /nfs/dbraw/zinc/15/22/09/722152209.db2.gz UWJGXGLYAVDELH-NQIIRXRSSA-N 0 3 407.543 3.327 20 0 HGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(COC5CCC5)cn4)CC[C@H]3C2)c1 ZINC001164974802 722152239 /nfs/dbraw/zinc/15/22/39/722152239.db2.gz QRLIEBRMWFLKFT-GMAHTHKFSA-N 0 3 408.546 3.273 20 0 HGADHN Cc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1C ZINC001164972662 722152953 /nfs/dbraw/zinc/15/29/53/722152953.db2.gz IVMMVXOCEGGQHZ-REWPJTCUSA-N 0 3 403.530 3.369 20 0 HGADHN COc1ccc2nc(CN[C@](C)(CO)Cc3ccc(OC)c(OC)c3)sc2c1 ZINC001461738535 1126197008 /nfs/dbraw/zinc/19/70/08/1126197008.db2.gz YORWQWAJLBPEFO-NRFANRHFSA-N 0 3 402.516 3.405 20 0 HGADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cnnn1-c1ccccc1 ZINC001560182443 1126208607 /nfs/dbraw/zinc/20/86/07/1126208607.db2.gz DWUWTZKMZMMLLJ-LJQANCHMSA-N 0 3 401.308 3.113 20 0 HGADHN COC1(c2nc(C3CCOCC3)no2)CCN(C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000583615844 560776261 /nfs/dbraw/zinc/77/62/61/560776261.db2.gz CLTNMLGHWLTRAA-FQEVSTJZSA-N 0 3 415.534 3.252 20 0 HGADHN COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2c1 ZINC000040152047 571199758 /nfs/dbraw/zinc/19/97/58/571199758.db2.gz GNJNVVQKRIKYSJ-UHFFFAOYSA-N 0 3 419.529 3.019 20 0 HGADHN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164389370 718825261 /nfs/dbraw/zinc/82/52/61/718825261.db2.gz HZNDTRQILVSFPR-ROUUACIJSA-N 0 3 409.864 3.426 20 0 HGADHN CCOC(=O)c1ncnc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164625981 719093511 /nfs/dbraw/zinc/09/35/11/719093511.db2.gz HVOLGXXATQPDKE-IAGOWNOFSA-N 0 3 400.910 3.408 20 0 HGADHN CNC(=O)CN1CCCC12CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164683546 719712531 /nfs/dbraw/zinc/71/25/31/719712531.db2.gz KYAYXHFCNIPQBC-UHFFFAOYSA-N 0 3 408.333 3.117 20 0 HGADHN CCN(C)c1cc(C)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164700300 719886351 /nfs/dbraw/zinc/88/63/51/719886351.db2.gz JIZLRPUVENFIDK-UHFFFAOYSA-N 0 3 401.580 3.174 20 0 HGADHN Cc1nc(CO[C@@H]2CN(c3ncccc3CN3CCCC3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825854 720392806 /nfs/dbraw/zinc/39/28/06/720392806.db2.gz VOYUEXYVOPIHSS-PWRODBHTSA-N 0 3 414.575 3.395 20 0 HGADHN CC1CCN(C(=O)c2cccnc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)CC1 ZINC001164727973 720437036 /nfs/dbraw/zinc/43/70/36/720437036.db2.gz FMJQJMMKQJMUAA-VXKWHMMOSA-N 0 3 405.546 3.202 20 0 HGADHN COc1ccc2c(cc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744842 720729350 /nfs/dbraw/zinc/72/93/50/720729350.db2.gz SVWAWJILTFLRJF-NVXWUHKLSA-N 0 3 411.893 3.029 20 0 HGADHN c1ccc(COC[C@@H]2CC[C@@H]3[C@H](CCN3c3ccc(CN4CCCC4)cn3)O2)nc1 ZINC001164848929 720776739 /nfs/dbraw/zinc/77/67/39/720776739.db2.gz RAHWSRUNZKGRSI-ZRBLBEILSA-N 0 3 408.546 3.416 20 0 HGADHN CN(Cc1ccc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1)C1CC1 ZINC001164765368 721030888 /nfs/dbraw/zinc/03/08/88/721030888.db2.gz OVGNMPLFJBDSBM-UPVQGACJSA-N 0 3 408.546 3.416 20 0 HGADHN c1ccc(CO[C@H]2CO[C@@]3(C2)CCCN(c2ncccc2CN2CCCC2)C3)nc1 ZINC001164762304 721031814 /nfs/dbraw/zinc/03/18/14/721031814.db2.gz HNWDODDDOXOJIK-ISKFKSNPSA-N 0 3 408.546 3.417 20 0 HGADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164871531 721044661 /nfs/dbraw/zinc/04/46/61/721044661.db2.gz ZNHJQRMKZQDGPN-KGLIPLIRSA-N 0 3 419.316 3.139 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(F)cccc54)C[C@H]3C2)cn1 ZINC001164762537 721118682 /nfs/dbraw/zinc/11/86/82/721118682.db2.gz CSUKKANXOVDZFD-LSDHHAIUSA-N 0 3 400.889 3.114 20 0 HGADHN CSc1nc2ccsc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771727 721119513 /nfs/dbraw/zinc/11/95/13/721119513.db2.gz SSZWUZJCJPWYTM-GJZGRUSLSA-N 0 3 400.577 3.105 20 0 HGADHN COc1ccc(-c2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164877019 721153718 /nfs/dbraw/zinc/15/37/18/721153718.db2.gz NWKJAFIURWEICN-RBBKRZOGSA-N 0 3 417.513 3.027 20 0 HGADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876483 721181178 /nfs/dbraw/zinc/18/11/78/721181178.db2.gz MRWODYFUMIPJRW-WOJBJXKFSA-N 0 3 419.504 3.466 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)cc5ncnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164772348 721181754 /nfs/dbraw/zinc/18/17/54/721181754.db2.gz SQBGDNAVBMXQDL-HUUCEWRRSA-N 0 3 400.889 3.114 20 0 HGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C[C@H]3C2)cn1 ZINC001164765063 721184519 /nfs/dbraw/zinc/18/45/19/721184519.db2.gz HOKTZBCPNXGBLK-HZPDHXFCSA-N 0 3 421.936 3.456 20 0 HGADHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164875434 721184813 /nfs/dbraw/zinc/18/48/13/721184813.db2.gz LPLVJUBERYDGGC-WOJBJXKFSA-N 0 3 419.504 3.466 20 0 HGADHN CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771439 721185066 /nfs/dbraw/zinc/18/50/66/721185066.db2.gz PVBLRPXTMJMCMD-IAGOWNOFSA-N 0 3 413.957 3.357 20 0 HGADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(Cl)nc4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164772372 721215003 /nfs/dbraw/zinc/21/50/03/721215003.db2.gz TXSUEOUSTIEUHJ-RBUKOAKNSA-N 0 3 408.937 3.489 20 0 HGADHN CCN(c1ccccc1)c1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ncn1 ZINC001164772422 721224799 /nfs/dbraw/zinc/22/47/99/721224799.db2.gz UQENTQXFFXXRGY-NHCUHLMSSA-N 0 3 417.561 3.326 20 0 HGADHN CN(Cc1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1)C1CC1 ZINC001164777679 721327172 /nfs/dbraw/zinc/32/71/72/721327172.db2.gz PFARZDMMKZGHBA-LJQANCHMSA-N 0 3 412.509 3.417 20 0 HGADHN Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164775976 721327623 /nfs/dbraw/zinc/32/76/23/721327623.db2.gz BDBFHHNARGFCNO-LJQANCHMSA-N 0 3 412.509 3.418 20 0 HGADHN COc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c(C)cc2c1 ZINC001164887126 721380748 /nfs/dbraw/zinc/38/07/48/721380748.db2.gz HAKMCMFAEIVXEN-RDGATRHJSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc(C)c2c1 ZINC001164893019 721411875 /nfs/dbraw/zinc/41/18/75/721411875.db2.gz ZVXZWKVQNNHBNI-SQJMNOBHSA-N 0 3 424.589 3.317 20 0 HGADHN COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2c1 ZINC001164884085 721422108 /nfs/dbraw/zinc/42/21/08/721422108.db2.gz DAPYKUWZXSYGOC-OFVILXPXSA-N 0 3 424.589 3.317 20 0 HGADHN CN1Cc2ccccc2CC2(CCN(c3ncccc3CN3CCCC3)CC2)C1=O ZINC001164896177 721473967 /nfs/dbraw/zinc/47/39/67/721473967.db2.gz VPZLEOCWITWGRM-UHFFFAOYSA-N 0 3 404.558 3.479 20 0 HGADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCCC1 ZINC001164900669 721513705 /nfs/dbraw/zinc/51/37/05/721513705.db2.gz SRCOQDTZRRCSOX-FPOVZHCZSA-N 0 3 424.520 3.189 20 0 HGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5ncsc54)CCN3C2)c1 ZINC001164908612 721535789 /nfs/dbraw/zinc/53/57/89/721535789.db2.gz PUODREVGXFWMMC-OCCSQVGLSA-N 0 3 405.886 3.221 20 0 HGADHN CCOC(=O)/C=C\c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907330 721543084 /nfs/dbraw/zinc/54/30/84/721543084.db2.gz MYCYVWHPCNUXGM-VRBGDJKOSA-N 0 3 411.477 3.139 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(C)nc2c1 ZINC001164910344 721558148 /nfs/dbraw/zinc/55/81/48/721558148.db2.gz WJHBFNMACODGLV-PXNSSMCTSA-N 0 3 408.477 3.428 20 0 HGADHN COc1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(C)nc2c1 ZINC001164910348 721558496 /nfs/dbraw/zinc/55/84/96/721558496.db2.gz WJHBFNMACODGLV-YLJYHZDGSA-N 0 3 408.477 3.428 20 0 HGADHN c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)n1 ZINC001164919457 721811494 /nfs/dbraw/zinc/81/14/94/721811494.db2.gz XYCDJGKOWHXZOY-SFHLNBCPSA-N 0 3 414.575 3.335 20 0 HGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001165037780 721918569 /nfs/dbraw/zinc/91/85/69/721918569.db2.gz JQYWUGQVGMMVCE-GOSISDBHSA-N 0 3 417.623 3.451 20 0 HGADHN c1ccc(-c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984719 722104667 /nfs/dbraw/zinc/10/46/67/722104667.db2.gz UEBFQJKJTJFHRQ-FGZHOGPDSA-N 0 3 401.514 3.266 20 0 HGADHN Clc1cccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164983500 722106528 /nfs/dbraw/zinc/10/65/28/722106528.db2.gz QNJNVRYHKZSXRX-FXAWDEMLSA-N 0 3 409.921 3.406 20 0 HGADHN FC(F)(Oc1cccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986647 722106968 /nfs/dbraw/zinc/10/69/68/722106968.db2.gz ZYSVZHBNYWUGSX-FUHWJXTLSA-N 0 3 424.879 3.282 20 0 HGADHN CSc1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980575 722123050 /nfs/dbraw/zinc/12/30/50/722123050.db2.gz RWFXNBCZRWHGTK-GHTZIAJQSA-N 0 3 421.570 3.474 20 0 HGADHN CCOc1ccc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981171 722124901 /nfs/dbraw/zinc/12/49/01/722124901.db2.gz UADDAZHNWPJOSI-PKOBYXMFSA-N 0 3 402.926 3.256 20 0 HGADHN Fc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985004 722147198 /nfs/dbraw/zinc/14/71/98/722147198.db2.gz YTHHGKZPGLHLBO-NZQKXSOJSA-N 0 3 419.504 3.405 20 0 HGADHN CN(Cc1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1)C1CC1 ZINC001164996874 722220305 /nfs/dbraw/zinc/22/03/05/722220305.db2.gz BFRVDTUTVFGLKN-XMMPIXPASA-N 0 3 420.513 3.038 20 0 HGADHN