smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)CCCC1 ZINC001299819015 1065012947 /nfs/dbraw/zinc/01/29/47/1065012947.db2.gz IDKNASSZYABEAM-UHFFFAOYSA-N 0 3 452.603 3.466 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492460199 1065508611 /nfs/dbraw/zinc/50/86/11/1065508611.db2.gz REEDELLGXHNMRV-OFVILXPXSA-N 0 3 499.660 3.264 20 30 JGEDHN C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001300832551 1065566011 /nfs/dbraw/zinc/56/60/11/1065566011.db2.gz NKRXWWFZCIFVCB-UHFFFAOYSA-N 0 3 491.390 3.311 20 30 JGEDHN C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300844424 1065584830 /nfs/dbraw/zinc/58/48/30/1065584830.db2.gz MCCVZJGLZRRDIR-IBGZPJMESA-N 0 3 474.451 3.162 20 30 JGEDHN C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001300852838 1065598500 /nfs/dbraw/zinc/59/85/00/1065598500.db2.gz DUAYOTIVRMBHKP-GOSISDBHSA-N 0 3 465.465 3.055 20 30 JGEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001300873472 1065649417 /nfs/dbraw/zinc/64/94/17/1065649417.db2.gz JGFYWXGXLNKFEP-DENIHFKCSA-N 0 3 458.651 3.242 20 30 JGEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300873586 1065650346 /nfs/dbraw/zinc/65/03/46/1065650346.db2.gz KFNJQFHIAUQACG-IFMALSPDSA-N 0 3 481.645 3.465 20 30 JGEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300930889 1065730981 /nfs/dbraw/zinc/73/09/81/1065730981.db2.gz OQTFXIQIOHEJKF-SFHVURJKSA-N 0 3 462.440 3.217 20 30 JGEDHN C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001301047242 1065894374 /nfs/dbraw/zinc/89/43/74/1065894374.db2.gz DBSGMCRSGQNLFS-UHFFFAOYSA-N 0 3 466.033 3.270 20 30 JGEDHN C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(C)CCOC)CC1 ZINC001301123208 1065963836 /nfs/dbraw/zinc/96/38/36/1065963836.db2.gz AGBWOMAORBNZJV-NRFANRHFSA-N 0 3 476.666 3.373 20 30 JGEDHN C=CCC(C)(C)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001301159313 1065995163 /nfs/dbraw/zinc/99/51/63/1065995163.db2.gz YHWOKPUURLSMIY-VWLOTQADSA-N 0 3 461.651 3.081 20 30 JGEDHN C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301176236 1066009045 /nfs/dbraw/zinc/00/90/45/1066009045.db2.gz TZEVIHITPSBOJL-HSZRJFAPSA-N 0 3 482.629 3.061 20 30 JGEDHN C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001301197917 1066023837 /nfs/dbraw/zinc/02/38/37/1066023837.db2.gz SBCOKNXEZKYYFF-UHFFFAOYSA-N 0 3 450.631 3.452 20 30 JGEDHN C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301197183 1066023875 /nfs/dbraw/zinc/02/38/75/1066023875.db2.gz GOBWXILAIJGSPL-YPAWHYETSA-N 0 3 472.678 3.296 20 30 JGEDHN C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301203167 1066027588 /nfs/dbraw/zinc/02/75/88/1066027588.db2.gz UQLNZKVSKCLKFB-HXUWFJFHSA-N 0 3 470.593 3.268 20 30 JGEDHN C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC001301297178 1066102193 /nfs/dbraw/zinc/10/21/93/1066102193.db2.gz MXCHTEGFTIVYPK-FCHUYYIVSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301341962 1066131676 /nfs/dbraw/zinc/13/16/76/1066131676.db2.gz QKDSFVSJDLGHQS-HSZRJFAPSA-N 0 3 463.630 3.220 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001301951507 1066251187 /nfs/dbraw/zinc/25/11/87/1066251187.db2.gz AJPOFBZVEPRMRJ-PZJWPPBQSA-N 0 3 458.570 3.358 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001301952866 1066254365 /nfs/dbraw/zinc/25/43/65/1066254365.db2.gz OIXFVFXPYUYALC-FYYLOGMGSA-N 0 3 477.657 3.287 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301973105 1066279228 /nfs/dbraw/zinc/27/92/28/1066279228.db2.gz AJJOVFFZKCETFI-QPPBQGQZSA-N 0 3 459.598 3.151 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 ZINC001301586531 1066422258 /nfs/dbraw/zinc/42/22/58/1066422258.db2.gz HBJQMJTUYRBNKE-UHFFFAOYSA-N 0 3 475.634 3.064 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001301737559 1066660102 /nfs/dbraw/zinc/66/01/02/1066660102.db2.gz ZFRPZYUFDDDNTH-SFHVURJKSA-N 0 3 466.508 3.086 20 30 JGEDHN CC(C)(C)CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302193612 1066679612 /nfs/dbraw/zinc/67/96/12/1066679612.db2.gz SLCGFGQGPIJOEP-UHFFFAOYSA-N 0 3 493.656 3.333 20 30 JGEDHN CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001301833891 1066800694 /nfs/dbraw/zinc/80/06/94/1066800694.db2.gz VQHYWWREMBHGIJ-RBBKRZOGSA-N 0 3 493.637 3.198 20 30 JGEDHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001302278399 1066845885 /nfs/dbraw/zinc/84/58/85/1066845885.db2.gz QDTMBQIXNJSUIO-PMVMPFDFSA-N 0 3 482.629 3.444 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](c1ccccc1)N(C)C ZINC001302954513 1067526044 /nfs/dbraw/zinc/52/60/44/1067526044.db2.gz OBKHCGWFJCCTCA-NZQKXSOJSA-N 0 3 473.629 3.156 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](c1ccccc1)N(C)C ZINC001302954515 1067526523 /nfs/dbraw/zinc/52/65/23/1067526523.db2.gz OBKHCGWFJCCTCA-OFNKIYASSA-N 0 3 473.629 3.156 20 30 JGEDHN N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCCN2CCCO)cc1 ZINC001302988731 1067549695 /nfs/dbraw/zinc/54/96/95/1067549695.db2.gz AEVAZULOZXTPGU-HXUWFJFHSA-N 0 3 490.530 3.011 20 30 JGEDHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929280 1067977449 /nfs/dbraw/zinc/97/74/49/1067977449.db2.gz UHAHYOWLCYECRI-MZKRTTBSSA-N 0 3 484.670 3.056 20 30 JGEDHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 ZINC001304986745 1068029483 /nfs/dbraw/zinc/02/94/83/1068029483.db2.gz LYZMGJLPZXTMTD-WPWBMXPQSA-N 0 3 484.670 3.199 20 30 JGEDHN CC(C)OCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001303565635 1068088081 /nfs/dbraw/zinc/08/80/81/1068088081.db2.gz XMDFIMYOSXRVLO-UHFFFAOYSA-N 0 3 459.598 3.273 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303636163 1068164498 /nfs/dbraw/zinc/16/44/98/1068164498.db2.gz LQPNGFWTRYATJO-BEFAXECRSA-N 0 3 453.522 3.186 20 30 JGEDHN C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N)CN1CCCCC1 ZINC001303751476 1068311999 /nfs/dbraw/zinc/31/19/99/1068311999.db2.gz KQZBQGOHXPFHIK-MOPGFXCFSA-N 0 3 458.632 3.209 20 30 JGEDHN C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305229266 1068373956 /nfs/dbraw/zinc/37/39/56/1068373956.db2.gz QQLDXEFUKURHOF-PZJWPPBQSA-N 0 3 452.603 3.322 20 30 JGEDHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305324723 1068545286 /nfs/dbraw/zinc/54/52/86/1068545286.db2.gz SXFAKTFLXJCWGG-KDYSTLNUSA-N 0 3 490.656 3.411 20 30 JGEDHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 ZINC001303916473 1068568307 /nfs/dbraw/zinc/56/83/07/1068568307.db2.gz IZZNSSBPNZNRPI-RBUKOAKNSA-N 0 3 457.598 3.322 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834731 720522860 /nfs/dbraw/zinc/52/28/60/720522860.db2.gz HKAVYSHWZNHHSI-BFYDXBDKSA-N 0 3 450.012 3.234 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834731 720522868 /nfs/dbraw/zinc/52/28/68/720522868.db2.gz HKAVYSHWZNHHSI-BFYDXBDKSA-N 0 3 450.012 3.234 20 30 JGEDHN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737748 720737172 /nfs/dbraw/zinc/73/71/72/720737172.db2.gz CJTFKFYTDOHUOM-RTWAWAEBSA-N 0 3 492.700 3.427 20 30 JGEDHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)C3)O2)CC1 ZINC001164894406 721437442 /nfs/dbraw/zinc/43/74/42/721437442.db2.gz MCNBEIUBMXXVEB-XCZPVHLTSA-N 0 3 475.637 3.492 20 30 JGEDHN CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1)Cc1ccc(F)cc1 ZINC001298716453 1064526021 /nfs/dbraw/zinc/52/60/21/1064526021.db2.gz COALKBZIYXGXIY-UHFFFAOYSA-N 0 3 481.601 3.281 20 30 JGEDHN CN(CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298720674 1064531980 /nfs/dbraw/zinc/53/19/80/1064531980.db2.gz ZOPGKUZRYYPFDF-UHFFFAOYSA-N 0 3 458.614 3.301 20 30 JGEDHN C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001300863729 1065625723 /nfs/dbraw/zinc/62/57/23/1065625723.db2.gz SWLQHHSCQATYSX-OAQYLSRUSA-N 0 3 489.462 3.292 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001300873474 1065649474 /nfs/dbraw/zinc/64/94/74/1065649474.db2.gz JGFYWXGXLNKFEP-KNQAVFIVSA-N 0 3 458.651 3.242 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300886294 1065673662 /nfs/dbraw/zinc/67/36/62/1065673662.db2.gz WXYREHLGBKLBQA-QSHYMPABSA-N 0 3 486.705 3.227 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001300912647 1065713094 /nfs/dbraw/zinc/71/30/94/1065713094.db2.gz HWWZOZBTZWUKEE-YADHBBJMSA-N 0 3 452.603 3.477 20 30 JGEDHN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300963579 1065771931 /nfs/dbraw/zinc/77/19/31/1065771931.db2.gz WTXOQTRMTIJGIZ-NRFANRHFSA-N 0 3 454.619 3.047 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301001291 1065825497 /nfs/dbraw/zinc/82/54/97/1065825497.db2.gz GTZUDCNTTJTHPV-FGZHOGPDSA-N 0 3 461.651 3.090 20 30 JGEDHN C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001301024674 1065861799 /nfs/dbraw/zinc/86/17/99/1065861799.db2.gz PPXVNTMWRBXWEQ-UHFFFAOYSA-N 0 3 450.978 3.367 20 30 JGEDHN C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301063957 1065915017 /nfs/dbraw/zinc/91/50/17/1065915017.db2.gz LKEIOOXDTGNXTP-UHFFFAOYSA-N 0 3 486.064 3.044 20 30 JGEDHN C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC001301106146 1065952902 /nfs/dbraw/zinc/95/29/02/1065952902.db2.gz QPCPDJGKCPTSCE-WMZHIEFXSA-N 0 3 486.686 3.128 20 30 JGEDHN C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001301207480 1066031551 /nfs/dbraw/zinc/03/15/51/1066031551.db2.gz WRGHSFGOVPWRFT-SFHVURJKSA-N 0 3 462.440 3.218 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001301209058 1066032849 /nfs/dbraw/zinc/03/28/49/1066032849.db2.gz KIBJQHOPVYQOLH-FQEVSTJZSA-N 0 3 454.619 3.145 20 30 JGEDHN C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC001301297180 1066102279 /nfs/dbraw/zinc/10/22/79/1066102279.db2.gz MXCHTEGFTIVYPK-FGZHOGPDSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301338399 1066127967 /nfs/dbraw/zinc/12/79/67/1066127967.db2.gz XPZINDUBXJHWEE-JOCHJYFZSA-N 0 3 468.646 3.009 20 30 JGEDHN C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001301403043 1066184263 /nfs/dbraw/zinc/18/42/63/1066184263.db2.gz SGKOALLLKAFPDL-OAQYLSRUSA-N 0 3 454.619 3.463 20 30 JGEDHN C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001301428958 1066225513 /nfs/dbraw/zinc/22/55/13/1066225513.db2.gz KDSPVLYJDMEVBY-UHFFFAOYSA-N 0 3 462.602 3.131 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001301952874 1066254581 /nfs/dbraw/zinc/25/45/81/1066254581.db2.gz OIXFVFXPYUYALC-JTHBVZDNSA-N 0 3 477.657 3.287 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C)C(C)(C)C1 ZINC001301956561 1066261018 /nfs/dbraw/zinc/26/10/18/1066261018.db2.gz KPWJJNDAYNXHOC-INIZCTEOSA-N 0 3 492.441 3.469 20 30 JGEDHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001301957559 1066262931 /nfs/dbraw/zinc/26/29/31/1066262931.db2.gz YALPJWGUXYIRRO-RTBURBONSA-N 0 3 458.632 3.065 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001301965304 1066269693 /nfs/dbraw/zinc/26/96/93/1066269693.db2.gz IXZRGXFXUMZEDG-LAUBAEHRSA-N 0 3 498.632 3.276 20 30 JGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301458121 1066276272 /nfs/dbraw/zinc/27/62/72/1066276272.db2.gz DQEOILXBKHYISF-XMSQKQJNSA-N 0 3 457.022 3.087 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001301489725 1066312865 /nfs/dbraw/zinc/31/28/65/1066312865.db2.gz ATSGZUVCZPSVAZ-CABCVRRESA-N 0 3 451.402 3.473 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301538909 1066366751 /nfs/dbraw/zinc/36/67/51/1066366751.db2.gz MDYUUCAMDLPDAS-NHCUHLMSSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@H]2C)C1 ZINC001301542692 1066370943 /nfs/dbraw/zinc/37/09/43/1066370943.db2.gz DYDNWIPMTHXGJY-IFMALSPDSA-N 0 3 487.670 3.394 20 30 JGEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301601714 1066445294 /nfs/dbraw/zinc/44/52/94/1066445294.db2.gz IBTISBODCBTJMX-GBXCKJPGSA-N 0 3 493.681 3.115 20 30 JGEDHN C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301615719 1066465750 /nfs/dbraw/zinc/46/57/50/1066465750.db2.gz UNPGXTPBCTXBED-QGZVFWFLSA-N 0 3 462.689 3.243 20 30 JGEDHN CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001301697511 1066586276 /nfs/dbraw/zinc/58/62/76/1066586276.db2.gz ZAKVGLLXSPQZJY-JOCHJYFZSA-N 0 3 463.611 3.240 20 30 JGEDHN CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 ZINC001302161277 1066619844 /nfs/dbraw/zinc/61/98/44/1066619844.db2.gz WTKMKFLOCNYENU-UHFFFAOYSA-N 0 3 479.673 3.173 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001302203083 1066699218 /nfs/dbraw/zinc/69/92/18/1066699218.db2.gz NTKKQJHCHVBHCM-FQEVSTJZSA-N 0 3 472.684 3.498 20 30 JGEDHN COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301774627 1066720664 /nfs/dbraw/zinc/72/06/64/1066720664.db2.gz ZJVVXHWICBWHOJ-UHFFFAOYSA-N 0 3 465.646 3.096 20 30 JGEDHN COCCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301802751 1066754276 /nfs/dbraw/zinc/75/42/76/1066754276.db2.gz DVXMJKKARUBCQO-UHFFFAOYSA-N 0 3 465.602 3.084 20 30 JGEDHN CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302802740 1067391540 /nfs/dbraw/zinc/39/15/40/1067391540.db2.gz OAGLJRDSYHOPOS-QFIPXVFZSA-N 0 3 453.660 3.175 20 30 JGEDHN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303066065 1067601486 /nfs/dbraw/zinc/60/14/86/1067601486.db2.gz TVXZQJLWEWYVEH-REWPJTCUSA-N 0 3 463.630 3.442 20 30 JGEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303182587 1067714399 /nfs/dbraw/zinc/71/43/99/1067714399.db2.gz BXRMACVQYZPMKP-QFIPXVFZSA-N 0 3 452.603 3.038 20 30 JGEDHN C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305018152 1068062076 /nfs/dbraw/zinc/06/20/76/1068062076.db2.gz SENKOVZIFMAKOQ-REWPJTCUSA-N 0 3 484.670 3.485 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCCCC1 ZINC001303665189 1068198356 /nfs/dbraw/zinc/19/83/56/1068198356.db2.gz SHYMDULADIVSQX-VAMGGRTRSA-N 0 3 472.659 3.339 20 30 JGEDHN CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305351864 1068597489 /nfs/dbraw/zinc/59/74/89/1068597489.db2.gz OCOJGWQJRNKHAD-GBXCKJPGSA-N 0 3 476.629 3.324 20 30 JGEDHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1)N1CCc2ccccc2C1 ZINC001305805448 1069331983 /nfs/dbraw/zinc/33/19/83/1069331983.db2.gz BRMSVQVGOJBRNL-UWUFEASWSA-N 0 3 470.593 3.281 20 30 JGEDHN CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298327124 1064202283 /nfs/dbraw/zinc/20/22/83/1064202283.db2.gz KUZJQQXRXVLSQV-QFIPXVFZSA-N 0 3 451.619 3.054 20 30 JGEDHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 ZINC001299892176 1065120465 /nfs/dbraw/zinc/12/04/65/1065120465.db2.gz GLWBTEUNFFBGBA-KRWDZBQOSA-N 0 3 460.026 3.371 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001300816745 1065545355 /nfs/dbraw/zinc/54/53/55/1065545355.db2.gz UYICRQSOFZLKBZ-WNCULLNHSA-N 0 3 478.641 3.100 20 30 JGEDHN C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001300837090 1065573079 /nfs/dbraw/zinc/57/30/79/1065573079.db2.gz HFNIBRRSPOKPDS-UHFFFAOYSA-N 0 3 476.419 3.411 20 30 JGEDHN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300944732 1065747778 /nfs/dbraw/zinc/74/77/78/1065747778.db2.gz HXPIJRNVENTYCR-NRFANRHFSA-N 0 3 482.629 3.061 20 30 JGEDHN COC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001301003337 1065831601 /nfs/dbraw/zinc/83/16/01/1065831601.db2.gz LRBXFVWJAQLMHN-QFIPXVFZSA-N 0 3 464.570 3.092 20 30 JGEDHN C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301050205 1065898547 /nfs/dbraw/zinc/89/85/47/1065898547.db2.gz NCYSZBVSWQLMQD-WMZHIEFXSA-N 0 3 487.048 3.031 20 30 JGEDHN C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301202452 1066027030 /nfs/dbraw/zinc/02/70/30/1066027030.db2.gz JUUSJCXISNWWGH-UHFFFAOYSA-N 0 3 487.446 3.418 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001301209059 1066032887 /nfs/dbraw/zinc/03/28/87/1066032887.db2.gz KIBJQHOPVYQOLH-HXUWFJFHSA-N 0 3 454.619 3.145 20 30 JGEDHN C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301259385 1066073675 /nfs/dbraw/zinc/07/36/75/1066073675.db2.gz IHWFQTNYCJWBTJ-UHFFFAOYSA-N 0 3 460.022 3.416 20 30 JGEDHN C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC001301297182 1066102246 /nfs/dbraw/zinc/10/22/46/1066102246.db2.gz MXCHTEGFTIVYPK-YADHBBJMSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301349134 1066139411 /nfs/dbraw/zinc/13/94/11/1066139411.db2.gz KQKOEENCAYUCHF-UHFFFAOYSA-N 0 3 459.642 3.483 20 30 JGEDHN COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301374975 1066168469 /nfs/dbraw/zinc/16/84/69/1066168469.db2.gz OKFACFUKNBQALV-WOJBJXKFSA-N 0 3 452.584 3.033 20 30 JGEDHN C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001301403042 1066184274 /nfs/dbraw/zinc/18/42/74/1066184274.db2.gz SGKOALLLKAFPDL-NRFANRHFSA-N 0 3 454.619 3.463 20 30 JGEDHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001301957556 1066262329 /nfs/dbraw/zinc/26/23/29/1066262329.db2.gz YALPJWGUXYIRRO-MOPGFXCFSA-N 0 3 458.632 3.065 20 30 JGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301458117 1066276378 /nfs/dbraw/zinc/27/63/78/1066276378.db2.gz DQEOILXBKHYISF-AVRDEDQJSA-N 0 3 457.022 3.087 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001301489728 1066312979 /nfs/dbraw/zinc/31/29/79/1066312979.db2.gz ATSGZUVCZPSVAZ-LSDHHAIUSA-N 0 3 451.402 3.473 20 30 JGEDHN C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001301509260 1066339207 /nfs/dbraw/zinc/33/92/07/1066339207.db2.gz DQPIRQFRSXQNBO-UHFFFAOYSA-N 0 3 480.657 3.477 20 30 JGEDHN C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001301515219 1066343470 /nfs/dbraw/zinc/34/34/70/1066343470.db2.gz ROHIKGARNBTDMB-UHFFFAOYSA-N 0 3 473.021 3.267 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@@H]2C)C1 ZINC001301542695 1066370703 /nfs/dbraw/zinc/37/07/03/1066370703.db2.gz DYDNWIPMTHXGJY-UNMCSNQZSA-N 0 3 487.670 3.394 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@H]2C)C1 ZINC001301542693 1066371058 /nfs/dbraw/zinc/37/10/58/1066371058.db2.gz DYDNWIPMTHXGJY-IRLDBZIGSA-N 0 3 487.670 3.394 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001301578120 1066410347 /nfs/dbraw/zinc/41/03/47/1066410347.db2.gz YHEXAVUBYWNEKY-OAQYLSRUSA-N 0 3 475.659 3.396 20 30 JGEDHN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCSCC1 ZINC001302080286 1066495986 /nfs/dbraw/zinc/49/59/86/1066495986.db2.gz SBQWKRYDYHNZKS-UHFFFAOYSA-N 0 3 467.687 3.208 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001302202037 1066697305 /nfs/dbraw/zinc/69/73/05/1066697305.db2.gz BJIOHSLCNRKDGY-NRFANRHFSA-N 0 3 452.603 3.180 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001302203084 1066699167 /nfs/dbraw/zinc/69/91/67/1066699167.db2.gz NTKKQJHCHVBHCM-HXUWFJFHSA-N 0 3 472.684 3.498 20 30 JGEDHN CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001302565716 1067204854 /nfs/dbraw/zinc/20/48/54/1067204854.db2.gz GVFRLNQRSNLMSE-RBUKOAKNSA-N 0 3 470.643 3.170 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 ZINC001302966422 1067536923 /nfs/dbraw/zinc/53/69/23/1067536923.db2.gz RKQPEWXAEJKGJT-UHFFFAOYSA-N 0 3 461.614 3.244 20 30 JGEDHN N#Cc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCSC(F)(F)F)cc1 ZINC001302988780 1067549749 /nfs/dbraw/zinc/54/97/49/1067549749.db2.gz ABAVNLBURSNLCI-UHFFFAOYSA-N 0 3 466.533 3.371 20 30 JGEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303182586 1067714543 /nfs/dbraw/zinc/71/45/43/1067714543.db2.gz BXRMACVQYZPMKP-JOCHJYFZSA-N 0 3 452.603 3.038 20 30 JGEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001303198758 1067734636 /nfs/dbraw/zinc/73/46/36/1067734636.db2.gz KOAWGFNNGQGYSG-OAQYLSRUSA-N 0 3 472.684 3.355 20 30 JGEDHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303316640 1067843799 /nfs/dbraw/zinc/84/37/99/1067843799.db2.gz HJRHOJRZTVTQPC-NRFANRHFSA-N 0 3 491.562 3.348 20 30 JGEDHN CC(C)SCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001303577265 1068101800 /nfs/dbraw/zinc/10/18/00/1068101800.db2.gz KOVPOQQXIPBAFN-UHFFFAOYSA-N 0 3 462.627 3.461 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303636170 1068164420 /nfs/dbraw/zinc/16/44/20/1068164420.db2.gz LQPNGFWTRYATJO-DNVCBOLYSA-N 0 3 453.522 3.186 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303641004 1068168480 /nfs/dbraw/zinc/16/84/80/1068168480.db2.gz OXIRDVYMFQNFKT-NZQKXSOJSA-N 0 3 473.629 3.493 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCCCC1 ZINC001303663738 1068195514 /nfs/dbraw/zinc/19/55/14/1068195514.db2.gz FBBYPXMMDRGJJD-LJQANCHMSA-N 0 3 470.643 3.095 20 30 JGEDHN C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N(C)C ZINC001305123782 1068208725 /nfs/dbraw/zinc/20/87/25/1068208725.db2.gz ZEVIAHQYVMJWFW-PKOBYXMFSA-N 0 3 479.658 3.317 20 30 JGEDHN C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N)CN1CCCCC1 ZINC001303751477 1068311687 /nfs/dbraw/zinc/31/16/87/1068311687.db2.gz KQZBQGOHXPFHIK-OALUTQOASA-N 0 3 458.632 3.209 20 30 JGEDHN CC[C@@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305351872 1068597436 /nfs/dbraw/zinc/59/74/36/1068597436.db2.gz OCOJGWQJRNKHAD-YKSBVNFPSA-N 0 3 476.629 3.324 20 30 JGEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCOCC1 ZINC001305508465 1068746969 /nfs/dbraw/zinc/74/69/69/1068746969.db2.gz HDBJNWAWJAGECD-HSZRJFAPSA-N 0 3 479.673 3.488 20 30 JGEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)N1CCOCC1 ZINC001305704917 1069092328 /nfs/dbraw/zinc/09/23/28/1069092328.db2.gz OCEWJFKIAWKDKP-GOTSBHOMSA-N 0 3 452.603 3.179 20 30 JGEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1)N1CCOCC1 ZINC001305705182 1069092788 /nfs/dbraw/zinc/09/27/88/1069092788.db2.gz OOGXKJCIEOLUGP-QFIPXVFZSA-N 0 3 452.603 3.179 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834734 720523467 /nfs/dbraw/zinc/52/34/67/720523467.db2.gz HKAVYSHWZNHHSI-ZMSDIMECSA-N 0 3 450.012 3.234 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834734 720523476 /nfs/dbraw/zinc/52/34/76/720523476.db2.gz HKAVYSHWZNHHSI-ZMSDIMECSA-N 0 3 450.012 3.234 20 30 JGEDHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164978236 722127951 /nfs/dbraw/zinc/12/79/51/722127951.db2.gz NZYVBJOCNONNBB-VQIMIIECSA-N 0 3 463.916 3.282 20 30 JGEDHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1)N1CCc2ccccc2C1 ZINC001305805444 1069332034 /nfs/dbraw/zinc/33/20/34/1069332034.db2.gz BRMSVQVGOJBRNL-SWHJIRTISA-N 0 3 470.593 3.281 20 30 JGEDHN CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299072128 1064872520 /nfs/dbraw/zinc/87/25/20/1064872520.db2.gz AOCIVSHTBJKRBO-VQTJNVASSA-N 0 3 463.611 3.144 20 30 JGEDHN CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001299110038 1064918645 /nfs/dbraw/zinc/91/86/45/1064918645.db2.gz IGNYVBMDQBWNRS-NRFANRHFSA-N 0 3 463.611 3.144 20 30 JGEDHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 ZINC001299892177 1065120526 /nfs/dbraw/zinc/12/05/26/1065120526.db2.gz GLWBTEUNFFBGBA-QGZVFWFLSA-N 0 3 460.026 3.371 20 30 JGEDHN C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC001300839455 1065575948 /nfs/dbraw/zinc/57/59/48/1065575948.db2.gz HQOXSPOACIFLQY-QGZVFWFLSA-N 0 3 451.413 3.129 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001300912644 1065713179 /nfs/dbraw/zinc/71/31/79/1065713179.db2.gz HWWZOZBTZWUKEE-FCHUYYIVSA-N 0 3 452.603 3.477 20 30 JGEDHN COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001300949884 1065753241 /nfs/dbraw/zinc/75/32/41/1065753241.db2.gz UPWMLPTWOMYZAE-FQEVSTJZSA-N 0 3 482.629 3.091 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001300991346 1065806931 /nfs/dbraw/zinc/80/69/31/1065806931.db2.gz RCKSIOPAYMDELJ-HBMCJLEFSA-N 0 3 492.665 3.098 20 30 JGEDHN C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300993780 1065811488 /nfs/dbraw/zinc/81/14/88/1065811488.db2.gz GTBLKJUZKUZLGJ-QHCPKHFHSA-N 0 3 470.637 3.205 20 30 JGEDHN C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001300994272 1065811905 /nfs/dbraw/zinc/81/19/05/1065811905.db2.gz QRYVPKMLRDUJNF-UHFFFAOYSA-N 0 3 471.609 3.441 20 30 JGEDHN C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001301051870 1065900041 /nfs/dbraw/zinc/90/00/41/1065900041.db2.gz RSPHFXMNHDDUIW-UHFFFAOYSA-N 0 3 475.037 3.217 20 30 JGEDHN C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001301063994 1065914862 /nfs/dbraw/zinc/91/48/62/1065914862.db2.gz MHIHHKKYQRVYLP-JOCHJYFZSA-N 0 3 452.603 3.150 20 30 JGEDHN C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001301119320 1065962354 /nfs/dbraw/zinc/96/23/54/1065962354.db2.gz DXWICJLUIULCEG-FQEVSTJZSA-N 0 3 468.646 3.391 20 30 JGEDHN C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(C)CCOC)CC1 ZINC001301123210 1065963937 /nfs/dbraw/zinc/96/39/37/1065963937.db2.gz AGBWOMAORBNZJV-OAQYLSRUSA-N 0 3 476.666 3.373 20 30 JGEDHN C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001301203220 1066027557 /nfs/dbraw/zinc/02/75/57/1066027557.db2.gz VUYOJHWNGOBVOS-UHFFFAOYSA-N 0 3 492.466 3.003 20 30 JGEDHN C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001301236959 1066054551 /nfs/dbraw/zinc/05/45/51/1066054551.db2.gz LPELVNRLQUWYRG-IFMALSPDSA-N 0 3 460.667 3.153 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001301349497 1066140042 /nfs/dbraw/zinc/14/00/42/1066140042.db2.gz OIBJDXAQFKIAEO-RBBKRZOGSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301484697 1066307282 /nfs/dbraw/zinc/30/72/82/1066307282.db2.gz KQXYUJUHALOKRW-UHFFFAOYSA-N 0 3 456.660 3.498 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301490262 1066313814 /nfs/dbraw/zinc/31/38/14/1066313814.db2.gz OVECZEKVPVNCJP-UHFFFAOYSA-N 0 3 493.439 3.103 20 30 JGEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301601718 1066445155 /nfs/dbraw/zinc/44/51/55/1066445155.db2.gz IBTISBODCBTJMX-RDPSFJRHSA-N 0 3 493.681 3.115 20 30 JGEDHN C=CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301603700 1066448542 /nfs/dbraw/zinc/44/85/42/1066448542.db2.gz DVHZGXHPZNLFCJ-OAQYLSRUSA-N 0 3 470.687 3.478 20 30 JGEDHN C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001301606602 1066452397 /nfs/dbraw/zinc/45/23/97/1066452397.db2.gz ULQMGMQPFFQULZ-UHFFFAOYSA-N 0 3 462.627 3.182 20 30 JGEDHN CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301697521 1066586438 /nfs/dbraw/zinc/58/64/38/1066586438.db2.gz ZAKVGLLXSPQZJY-QFIPXVFZSA-N 0 3 463.611 3.240 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001301736763 1066658686 /nfs/dbraw/zinc/65/86/86/1066658686.db2.gz OJNMXCLFEWHMLU-XMMPIXPASA-N 0 3 458.582 3.175 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302202455 1066698013 /nfs/dbraw/zinc/69/80/13/1066698013.db2.gz GPXWZCOFCBIPPG-FQEVSTJZSA-N 0 3 491.562 3.000 20 30 JGEDHN COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001301803038 1066754040 /nfs/dbraw/zinc/75/40/40/1066754040.db2.gz IDGFCKPSIIYQMB-UHFFFAOYSA-N 0 3 478.016 3.130 20 30 JGEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 ZINC001302281302 1066849875 /nfs/dbraw/zinc/84/98/75/1066849875.db2.gz ISBUVEUQWMFJNB-OAQYLSRUSA-N 0 3 463.586 3.182 20 30 JGEDHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)N(C)C)cc1 ZINC001304278543 1067318028 /nfs/dbraw/zinc/31/80/28/1067318028.db2.gz MIUVBTLRRQXGJY-UYAOXDASSA-N 0 3 465.627 3.477 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001304433460 1067512487 /nfs/dbraw/zinc/51/24/87/1067512487.db2.gz FNTHJBXYUSGEJR-DEOSSOPVSA-N 0 3 471.650 3.347 20 30 JGEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 ZINC001303198870 1067734479 /nfs/dbraw/zinc/73/44/79/1067734479.db2.gz NRCZRUGUBDPFNZ-UHFFFAOYSA-N 0 3 479.560 3.120 20 30 JGEDHN Cc1nccnc1CCn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001304715000 1067786464 /nfs/dbraw/zinc/78/64/64/1067786464.db2.gz RDLOLWFZUCUBDJ-UHFFFAOYSA-N 0 3 458.614 3.402 20 30 JGEDHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001303302489 1067827162 /nfs/dbraw/zinc/82/71/62/1067827162.db2.gz JXAYEEMICVXQRJ-OALUTQOASA-N 0 3 458.632 3.207 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303641006 1068168492 /nfs/dbraw/zinc/16/84/92/1068168492.db2.gz OXIRDVYMFQNFKT-REWPJTCUSA-N 0 3 473.629 3.493 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC(C)CC1 ZINC001305107830 1068176859 /nfs/dbraw/zinc/17/68/59/1068176859.db2.gz RUQABPASFVQLLO-SFHVURJKSA-N 0 3 458.010 3.332 20 30 JGEDHN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305147720 1068249872 /nfs/dbraw/zinc/24/98/72/1068249872.db2.gz FCBOBIUHDQOEQC-KNQAVFIVSA-N 0 3 477.613 3.428 20 30 JGEDHN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCN1CC(F)(F)F ZINC001305155192 1068264125 /nfs/dbraw/zinc/26/41/25/1068264125.db2.gz OANNEARFADDQFD-GOSISDBHSA-N 0 3 459.520 3.151 20 30 JGEDHN CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305351870 1068597407 /nfs/dbraw/zinc/59/74/07/1068597407.db2.gz OCOJGWQJRNKHAD-RDPSFJRHSA-N 0 3 476.629 3.324 20 30 JGEDHN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737749 720736094 /nfs/dbraw/zinc/73/60/94/720736094.db2.gz CJTFKFYTDOHUOM-SFTDATJTSA-N 0 3 492.700 3.427 20 30 JGEDHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)C3)O2)CC1 ZINC001164894405 721437365 /nfs/dbraw/zinc/43/73/65/721437365.db2.gz MCNBEIUBMXXVEB-IXCJQBJRSA-N 0 3 475.637 3.492 20 30 JGEDHN CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298327123 1064202341 /nfs/dbraw/zinc/20/23/41/1064202341.db2.gz KUZJQQXRXVLSQV-JOCHJYFZSA-N 0 3 451.619 3.054 20 30 JGEDHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 ZINC001298719995 1064531173 /nfs/dbraw/zinc/53/11/73/1064531173.db2.gz LHWPRKXQQGGORX-YPAWHYETSA-N 0 3 470.593 3.197 20 30 JGEDHN CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299072124 1064872477 /nfs/dbraw/zinc/87/24/77/1064872477.db2.gz AOCIVSHTBJKRBO-UXHICEINSA-N 0 3 463.611 3.144 20 30 JGEDHN COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299785023 1064982293 /nfs/dbraw/zinc/98/22/93/1064982293.db2.gz AXWWBUKZUAVUPR-IBGZPJMESA-N 0 3 452.584 3.318 20 30 JGEDHN Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492313055 1065391345 /nfs/dbraw/zinc/39/13/45/1065391345.db2.gz URFLVEAIZQRXAC-OAQYLSRUSA-N 0 3 453.635 3.238 20 30 JGEDHN C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300873588 1065650382 /nfs/dbraw/zinc/65/03/82/1065650382.db2.gz KFNJQFHIAUQACG-RBBKRZOGSA-N 0 3 481.645 3.465 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300886297 1065673782 /nfs/dbraw/zinc/67/37/82/1065673782.db2.gz WXYREHLGBKLBQA-SRTADBNSSA-N 0 3 486.705 3.227 20 30 JGEDHN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001300964206 1065773178 /nfs/dbraw/zinc/77/31/78/1065773178.db2.gz RCKLGSBSLNPJND-DHLKQENFSA-N 0 3 480.657 3.429 20 30 JGEDHN C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300980738 1065791517 /nfs/dbraw/zinc/79/15/17/1065791517.db2.gz MKPGLRYWRRSZIT-QHCPKHFHSA-N 0 3 468.646 3.151 20 30 JGEDHN C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001300999814 1065821918 /nfs/dbraw/zinc/82/19/18/1065821918.db2.gz GZFPSTBTMQSJLW-QFIPXVFZSA-N 0 3 469.630 3.448 20 30 JGEDHN C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001301000231 1065822452 /nfs/dbraw/zinc/82/24/52/1065822452.db2.gz NQWHQJBNLUUULJ-FQEVSTJZSA-N 0 3 473.593 3.278 20 30 JGEDHN C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301023787 1065860517 /nfs/dbraw/zinc/86/05/17/1065860517.db2.gz JLECUDRHGXLOAO-GOSISDBHSA-N 0 3 493.837 3.203 20 30 JGEDHN C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301155911 1065993078 /nfs/dbraw/zinc/99/30/78/1065993078.db2.gz ZCLYBYGPSDKHOB-QHCPKHFHSA-N 0 3 464.658 3.408 20 30 JGEDHN C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC(C)(C)C1 ZINC001301403077 1066184310 /nfs/dbraw/zinc/18/43/10/1066184310.db2.gz UPRIJANNVPOQHW-UHFFFAOYSA-N 0 3 454.619 3.464 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001301951508 1066251232 /nfs/dbraw/zinc/25/12/32/1066251232.db2.gz AJPOFBZVEPRMRJ-TZIWHRDSSA-N 0 3 458.570 3.358 20 30 JGEDHN C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001301518984 1066347468 /nfs/dbraw/zinc/34/74/68/1066347468.db2.gz OEBOZXODCNNNSE-NFBKMPQASA-N 0 3 466.630 3.148 20 30 JGEDHN C=C(C)Cn1c(SCC(=O)N2CCC(CC)(N3CCOCC3)CC2)nnc1-c1ccco1 ZINC001302008028 1066349668 /nfs/dbraw/zinc/34/96/68/1066349668.db2.gz DKOZIZILPUAMLM-UHFFFAOYSA-N 0 3 459.616 3.310 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CN3CCCC[C@H]3C)C2)nnc1C(C)(C)C ZINC001301596314 1066438551 /nfs/dbraw/zinc/43/85/51/1066438551.db2.gz LECLSWAZMXUPNP-UXHICEINSA-N 0 3 451.681 3.267 20 30 JGEDHN C=CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301603698 1066448463 /nfs/dbraw/zinc/44/84/63/1066448463.db2.gz DVHZGXHPZNLFCJ-NRFANRHFSA-N 0 3 470.687 3.478 20 30 JGEDHN C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301620409 1066476969 /nfs/dbraw/zinc/47/69/69/1066476969.db2.gz FOSLXOICJCIDTR-UHFFFAOYSA-N 0 3 457.644 3.386 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001302203340 1066700188 /nfs/dbraw/zinc/70/01/88/1066700188.db2.gz OCPGBSVOBUSNGS-NRFANRHFSA-N 0 3 487.599 3.093 20 30 JGEDHN CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302272986 1066832877 /nfs/dbraw/zinc/83/28/77/1066832877.db2.gz LTLLXVWAVBIESZ-UHFFFAOYSA-N 0 3 465.602 3.406 20 30 JGEDHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001302278403 1066845934 /nfs/dbraw/zinc/84/59/34/1066845934.db2.gz QDTMBQIXNJSUIO-WWNPGLIZSA-N 0 3 482.629 3.444 20 30 JGEDHN CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303233642 1067766591 /nfs/dbraw/zinc/76/65/91/1067766591.db2.gz PWZUVFKFVWFBGA-UHFFFAOYSA-N 0 3 466.630 3.428 20 30 JGEDHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001303302491 1067827273 /nfs/dbraw/zinc/82/72/73/1067827273.db2.gz JXAYEEMICVXQRJ-RTBURBONSA-N 0 3 458.632 3.207 20 30 JGEDHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001303302490 1067827310 /nfs/dbraw/zinc/82/73/10/1067827310.db2.gz JXAYEEMICVXQRJ-RBUKOAKNSA-N 0 3 458.632 3.207 20 30 JGEDHN Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCCOC(F)F)n1 ZINC001304757969 1067842109 /nfs/dbraw/zinc/84/21/09/1067842109.db2.gz BDUDYKLMIPEIIW-UHFFFAOYSA-N 0 3 498.582 3.353 20 30 JGEDHN C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 ZINC001304986739 1068029602 /nfs/dbraw/zinc/02/96/02/1068029602.db2.gz LYZMGJLPZXTMTD-OPJGWUQDSA-N 0 3 484.670 3.199 20 30 JGEDHN C[C@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001305042441 1068097517 /nfs/dbraw/zinc/09/75/17/1068097517.db2.gz JDGOUSWHBPDXCY-SBUREZEXSA-N 0 3 473.984 3.035 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303627395 1068157117 /nfs/dbraw/zinc/15/71/17/1068157117.db2.gz JRSDLDXUMIJDFA-CVDCTZTESA-N 0 3 489.628 3.016 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303641005 1068168384 /nfs/dbraw/zinc/16/83/84/1068168384.db2.gz OXIRDVYMFQNFKT-OFNKIYASSA-N 0 3 473.629 3.493 20 30 JGEDHN CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305107078 1068175707 /nfs/dbraw/zinc/17/57/07/1068175707.db2.gz XUBCHUCLJYNHOS-QHCPKHFHSA-N 0 3 484.670 3.342 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303664631 1068197276 /nfs/dbraw/zinc/19/72/76/1068197276.db2.gz MALUERLLRIFIBO-DENIHFKCSA-N 0 3 470.643 3.095 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001303916474 1068568157 /nfs/dbraw/zinc/56/81/57/1068568157.db2.gz IZZNSSBPNZNRPI-RTBURBONSA-N 0 3 457.598 3.322 20 30 JGEDHN CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001305634425 1068942970 /nfs/dbraw/zinc/94/29/70/1068942970.db2.gz OECVSVWPLBEWOM-NRFANRHFSA-N 0 3 486.624 3.229 20 30 JGEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)N1CCOCC1 ZINC001305704919 1069092401 /nfs/dbraw/zinc/09/24/01/1069092401.db2.gz OCEWJFKIAWKDKP-XZOQPEGZSA-N 0 3 452.603 3.179 20 30 JGEDHN CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001305739148 1069166447 /nfs/dbraw/zinc/16/64/47/1069166447.db2.gz JNWWLWHJLKQOLD-LJQANCHMSA-N 0 3 451.619 3.457 20 30 JGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC2)CC1 ZINC001164616986 719028959 /nfs/dbraw/zinc/02/89/59/719028959.db2.gz GWQPMOQKKQTOJN-UHFFFAOYSA-N 0 3 456.921 3.404 20 30 JGEDHN Cc1nc(CN2CCO[C@@H]3CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC[C@H]32)cs1 ZINC001164986219 722185993 /nfs/dbraw/zinc/18/59/93/722185993.db2.gz DRLRCUAMJQRHPJ-VAMGGRTRSA-N 0 3 484.626 3.060 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492460201 1065508782 /nfs/dbraw/zinc/50/87/82/1065508782.db2.gz REEDELLGXHNMRV-SQJMNOBHSA-N 0 3 499.660 3.264 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300889804 1065677817 /nfs/dbraw/zinc/67/78/17/1065677817.db2.gz RGCJSRCFXMMWCX-SQHAQQRYSA-N 0 3 494.684 3.149 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 ZINC001300915187 1065715353 /nfs/dbraw/zinc/71/53/53/1065715353.db2.gz JEGLVWXQPWOPPT-HSZRJFAPSA-N 0 3 454.619 3.221 20 30 JGEDHN COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001300921489 1065720749 /nfs/dbraw/zinc/72/07/49/1065720749.db2.gz UMHYOUPNZAMWRG-UHFFFAOYSA-N 0 3 493.656 3.014 20 30 JGEDHN C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300927513 1065726670 /nfs/dbraw/zinc/72/66/70/1065726670.db2.gz JHLFOZZFEYWVEP-JOCHJYFZSA-N 0 3 486.064 3.042 20 30 JGEDHN C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300956254 1065761131 /nfs/dbraw/zinc/76/11/31/1065761131.db2.gz UHFCBKCBTJQVBU-WZONZLPQSA-N 0 3 472.584 3.102 20 30 JGEDHN C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001300973289 1065782870 /nfs/dbraw/zinc/78/28/70/1065782870.db2.gz XPULHLIIFLHLDP-UHFFFAOYSA-N 0 3 467.618 3.219 20 30 JGEDHN C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300991082 1065806293 /nfs/dbraw/zinc/80/62/93/1065806293.db2.gz JQUYSAIUUFUVDE-UHFFFAOYSA-N 0 3 493.656 3.343 20 30 JGEDHN C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC001301003562 1065832129 /nfs/dbraw/zinc/83/21/29/1065832129.db2.gz MEIHXFNRBXTWKD-FCHUYYIVSA-N 0 3 469.630 3.405 20 30 JGEDHN C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC001301003566 1065832891 /nfs/dbraw/zinc/83/28/91/1065832891.db2.gz MEIHXFNRBXTWKD-VXKWHMMOSA-N 0 3 469.630 3.405 20 30 JGEDHN C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301031026 1065870851 /nfs/dbraw/zinc/87/08/51/1065870851.db2.gz XVFLFRSOTUCVNO-UHFFFAOYSA-N 0 3 493.837 3.205 20 30 JGEDHN C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301050207 1065898883 /nfs/dbraw/zinc/89/88/83/1065898883.db2.gz NCYSZBVSWQLMQD-XXBNENTESA-N 0 3 487.048 3.031 20 30 JGEDHN C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301055468 1065905860 /nfs/dbraw/zinc/90/58/60/1065905860.db2.gz LDHKTQSRVCOHAH-FQEVSTJZSA-N 0 3 475.037 3.223 20 30 JGEDHN C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301055572 1065906473 /nfs/dbraw/zinc/90/64/73/1065906473.db2.gz MPXFJTNLQBKART-FQEVSTJZSA-N 0 3 475.062 3.374 20 30 JGEDHN C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301141742 1065979805 /nfs/dbraw/zinc/97/98/05/1065979805.db2.gz QOUXCTPVINSXFI-UHFFFAOYSA-N 0 3 496.656 3.309 20 30 JGEDHN C=CCC(C)(C)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001301159312 1065995109 /nfs/dbraw/zinc/99/51/09/1065995109.db2.gz YHWOKPUURLSMIY-RUZDIDTESA-N 0 3 461.651 3.081 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301209158 1066032994 /nfs/dbraw/zinc/03/29/94/1066032994.db2.gz NNGADKNOPIHRGB-GBXCKJPGSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001301261933 1066077161 /nfs/dbraw/zinc/07/71/61/1066077161.db2.gz LKISWYOPNLCCGH-DNVJHFABSA-N 0 3 474.694 3.006 20 30 JGEDHN C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001301294834 1066099686 /nfs/dbraw/zinc/09/96/86/1066099686.db2.gz STIMGIKOHHNPSE-HXUWFJFHSA-N 0 3 475.682 3.041 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001301349493 1066140167 /nfs/dbraw/zinc/14/01/67/1066140167.db2.gz OIBJDXAQFKIAEO-IFMALSPDSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001301350135 1066140674 /nfs/dbraw/zinc/14/06/74/1066140674.db2.gz WRDXXVLKLDQOHM-OAQYLSRUSA-N 0 3 457.644 3.247 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001301954529 1066257670 /nfs/dbraw/zinc/25/76/70/1066257670.db2.gz YOERHHVCXWNZHP-MSOLQXFVSA-N 0 3 458.010 3.189 20 30 JGEDHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001301957558 1066263119 /nfs/dbraw/zinc/26/31/19/1066263119.db2.gz YALPJWGUXYIRRO-RBUKOAKNSA-N 0 3 458.632 3.065 20 30 JGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301458119 1066276476 /nfs/dbraw/zinc/27/64/76/1066276476.db2.gz DQEOILXBKHYISF-PGRDOPGGSA-N 0 3 457.022 3.087 20 30 JGEDHN C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001301518985 1066347686 /nfs/dbraw/zinc/34/76/86/1066347686.db2.gz OEBOZXODCNNNSE-NZQKXSOJSA-N 0 3 466.630 3.148 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CC)C1 ZINC001301534426 1066361619 /nfs/dbraw/zinc/36/16/19/1066361619.db2.gz AMSFAUASFPJXRN-VXKWHMMOSA-N 0 3 452.603 3.413 20 30 JGEDHN C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001301597745 1066442034 /nfs/dbraw/zinc/44/20/34/1066442034.db2.gz YSIWRBXJLTYRCA-SFHVURJKSA-N 0 3 494.507 3.171 20 30 JGEDHN CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)N(C)C ZINC001302453395 1067056284 /nfs/dbraw/zinc/05/62/84/1067056284.db2.gz ZOIYSTSVYZCVJY-NRFANRHFSA-N 0 3 465.627 3.390 20 30 JGEDHN CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1)N(C)C ZINC001302808364 1067396279 /nfs/dbraw/zinc/39/62/79/1067396279.db2.gz OJWLWVXLZHYFMI-FQEVSTJZSA-N 0 3 472.659 3.455 20 30 JGEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1ccco1 ZINC001302938977 1067512602 /nfs/dbraw/zinc/51/26/02/1067512602.db2.gz VMHNGXSUYZWIRX-UHFFFAOYSA-N 0 3 475.597 3.084 20 30 JGEDHN N#Cc1ccc(CN2CCCN(c3nnc(Cc4cccnc4)n3CCCCCO)CC2)cc1 ZINC001302991168 1067552742 /nfs/dbraw/zinc/55/27/42/1067552742.db2.gz CJIMWKFSYRHQMH-UHFFFAOYSA-N 0 3 459.598 3.010 20 30 JGEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 ZINC001303184845 1067718857 /nfs/dbraw/zinc/71/88/57/1067718857.db2.gz WZKKQWLPONAJNF-UHFFFAOYSA-N 0 3 452.603 3.180 20 30 JGEDHN CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303310930 1067839670 /nfs/dbraw/zinc/83/96/70/1067839670.db2.gz NKJJQNWJFCUFDE-MGBGTMOVSA-N 0 3 472.659 3.196 20 30 JGEDHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305018149 1068062010 /nfs/dbraw/zinc/06/20/10/1068062010.db2.gz SENKOVZIFMAKOQ-NFBKMPQASA-N 0 3 484.670 3.485 20 30 JGEDHN C[C@@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001305042440 1068097758 /nfs/dbraw/zinc/09/77/58/1068097758.db2.gz JDGOUSWHBPDXCY-HXOBKFHXSA-N 0 3 473.984 3.035 20 30 JGEDHN C[C@@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001305042442 1068098265 /nfs/dbraw/zinc/09/82/65/1068098265.db2.gz JDGOUSWHBPDXCY-UZUQRXQVSA-N 0 3 473.984 3.035 20 30 JGEDHN CC[C@@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305351868 1068597383 /nfs/dbraw/zinc/59/73/83/1068597383.db2.gz OCOJGWQJRNKHAD-HYBUGGRVSA-N 0 3 476.629 3.324 20 30 JGEDHN CC[C@@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001305634426 1068943525 /nfs/dbraw/zinc/94/35/25/1068943525.db2.gz OECVSVWPLBEWOM-OAQYLSRUSA-N 0 3 486.624 3.229 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834732 720523031 /nfs/dbraw/zinc/52/30/31/720523031.db2.gz HKAVYSHWZNHHSI-HLLBOEOZSA-N 0 3 450.012 3.234 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834732 720523032 /nfs/dbraw/zinc/52/30/32/720523032.db2.gz HKAVYSHWZNHHSI-HLLBOEOZSA-N 0 3 450.012 3.234 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834733 720523297 /nfs/dbraw/zinc/52/32/97/720523297.db2.gz HKAVYSHWZNHHSI-YQQAZPJKSA-N 0 3 450.012 3.234 20 30 JGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834733 720523299 /nfs/dbraw/zinc/52/32/99/720523299.db2.gz HKAVYSHWZNHHSI-YQQAZPJKSA-N 0 3 450.012 3.234 20 30 JGEDHN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1)N1CCc2ccccc2C1 ZINC001305805431 1069332247 /nfs/dbraw/zinc/33/22/47/1069332247.db2.gz BRMSVQVGOJBRNL-OPJGWUQDSA-N 0 3 470.593 3.281 20 30 JGEDHN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305842074 1069390580 /nfs/dbraw/zinc/39/05/80/1069390580.db2.gz NAQWMLXULVNXGZ-XMMPIXPASA-N 0 3 459.598 3.273 20 30 JGEDHN CN1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCC#N)CC2CC2)CC1(C)C ZINC001298895592 1064703085 /nfs/dbraw/zinc/70/30/85/1064703085.db2.gz BQNCNRXLPSBMGZ-UHFFFAOYSA-N 0 3 466.590 3.009 20 30 JGEDHN Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492344804 1065459596 /nfs/dbraw/zinc/45/95/96/1065459596.db2.gz QZMBOVRFNBWXNL-XMMPIXPASA-N 0 3 493.656 3.157 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492460200 1065508855 /nfs/dbraw/zinc/50/88/55/1065508855.db2.gz REEDELLGXHNMRV-PXDATVDWSA-N 0 3 499.660 3.264 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300873587 1065650201 /nfs/dbraw/zinc/65/02/01/1065650201.db2.gz KFNJQFHIAUQACG-IRLDBZIGSA-N 0 3 481.645 3.465 20 30 JGEDHN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300944733 1065747567 /nfs/dbraw/zinc/74/75/67/1065747567.db2.gz HXPIJRNVENTYCR-OAQYLSRUSA-N 0 3 482.629 3.061 20 30 JGEDHN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300962699 1065770777 /nfs/dbraw/zinc/77/07/77/1065770777.db2.gz AWGVPQJIFBOMKE-UHFFFAOYSA-N 0 3 461.010 3.077 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001300991348 1065807197 /nfs/dbraw/zinc/80/71/97/1065807197.db2.gz RCKSIOPAYMDELJ-NJYVYQBISA-N 0 3 492.665 3.098 20 30 JGEDHN C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301055469 1065905820 /nfs/dbraw/zinc/90/58/20/1065905820.db2.gz LDHKTQSRVCOHAH-HXUWFJFHSA-N 0 3 475.037 3.223 20 30 JGEDHN C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301176237 1066009112 /nfs/dbraw/zinc/00/91/12/1066009112.db2.gz TZEVIHITPSBOJL-QHCPKHFHSA-N 0 3 482.629 3.061 20 30 JGEDHN C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301203166 1066027607 /nfs/dbraw/zinc/02/76/07/1066027607.db2.gz UQLNZKVSKCLKFB-FQEVSTJZSA-N 0 3 470.593 3.268 20 30 JGEDHN C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001301229022 1066048748 /nfs/dbraw/zinc/04/87/48/1066048748.db2.gz DXWOGWLQDUWVJD-HSZRJFAPSA-N 0 3 451.663 3.139 20 30 JGEDHN C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301271254 1066084501 /nfs/dbraw/zinc/08/45/01/1066084501.db2.gz QFWNWUMDJJYKCB-BVAGGSTKSA-N 0 3 469.630 3.232 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001301349498 1066140087 /nfs/dbraw/zinc/14/00/87/1066140087.db2.gz OIBJDXAQFKIAEO-UNMCSNQZSA-N 0 3 457.644 3.105 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1 ZINC001301954534 1066257586 /nfs/dbraw/zinc/25/75/86/1066257586.db2.gz YOERHHVCXWNZHP-ZWKOTPCHSA-N 0 3 458.010 3.189 20 30 JGEDHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001301957557 1066263146 /nfs/dbraw/zinc/26/31/46/1066263146.db2.gz YALPJWGUXYIRRO-OALUTQOASA-N 0 3 458.632 3.065 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301973106 1066279258 /nfs/dbraw/zinc/27/92/58/1066279258.db2.gz AJJOVFFZKCETFI-URXFXBBRSA-N 0 3 459.598 3.151 20 30 JGEDHN C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCCC2)CC1 ZINC001301515693 1066344175 /nfs/dbraw/zinc/34/41/75/1066344175.db2.gz YBOPEEJHTDEYIT-UHFFFAOYSA-N 0 3 466.630 3.231 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301538913 1066367067 /nfs/dbraw/zinc/36/70/67/1066367067.db2.gz MDYUUCAMDLPDAS-SFTDATJTSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301539356 1066367547 /nfs/dbraw/zinc/36/75/47/1066367547.db2.gz RAKNHQRXJAVBNE-REWPJTCUSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCCC2)CC1 ZINC001301586707 1066422816 /nfs/dbraw/zinc/42/28/16/1066422816.db2.gz IKEQQXGMQYDGIF-UHFFFAOYSA-N 0 3 493.624 3.203 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C ZINC001301596315 1066438471 /nfs/dbraw/zinc/43/84/71/1066438471.db2.gz LECLSWAZMXUPNP-VQTJNVASSA-N 0 3 451.681 3.267 20 30 JGEDHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001301734673 1066655919 /nfs/dbraw/zinc/65/59/19/1066655919.db2.gz QBXWALMOVIFDPX-UHFFFAOYSA-N 0 3 474.053 3.297 20 30 JGEDHN CC(C)(C)CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 ZINC001302192224 1066676025 /nfs/dbraw/zinc/67/60/25/1066676025.db2.gz HGAUZCYNWFRILY-UHFFFAOYSA-N 0 3 495.672 3.009 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001302203341 1066700126 /nfs/dbraw/zinc/70/01/26/1066700126.db2.gz OCPGBSVOBUSNGS-OAQYLSRUSA-N 0 3 487.599 3.093 20 30 JGEDHN COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301773784 1066718640 /nfs/dbraw/zinc/71/86/40/1066718640.db2.gz KWDIMFHDIYBCCZ-UHFFFAOYSA-N 0 3 479.673 3.486 20 30 JGEDHN CC(C)(C)OC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 ZINC001302231909 1066747882 /nfs/dbraw/zinc/74/78/82/1066747882.db2.gz CUJGIZCFVIPVHV-UHFFFAOYSA-N 0 3 495.628 3.272 20 30 JGEDHN CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001301833890 1066800819 /nfs/dbraw/zinc/80/08/19/1066800819.db2.gz VQHYWWREMBHGIJ-IRLDBZIGSA-N 0 3 493.637 3.198 20 30 JGEDHN CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccsc1)N(C)C ZINC001302453396 1067056453 /nfs/dbraw/zinc/05/64/53/1067056453.db2.gz ZOIYSTSVYZCVJY-OAQYLSRUSA-N 0 3 465.627 3.390 20 30 JGEDHN CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304040721 1067084270 /nfs/dbraw/zinc/08/42/70/1067084270.db2.gz VYAALXLTGQTZCN-UHFFFAOYSA-N 0 3 463.630 3.301 20 30 JGEDHN N#Cc1cccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCOCC(F)(F)C(F)F)c1 ZINC001302985688 1067548172 /nfs/dbraw/zinc/54/81/72/1067548172.db2.gz AMYPELKCIQNHGD-UHFFFAOYSA-N 0 3 466.483 3.266 20 30 JGEDHN N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCN2CC=CCC2)cc1 ZINC001302989336 1067550432 /nfs/dbraw/zinc/55/04/32/1067550432.db2.gz KMDJZWPGPINGRN-UHFFFAOYSA-N 0 3 459.520 3.153 20 30 JGEDHN N#Cc1ccc(CN2CCCN(c3nnc([C@H]4CCCOC4)n3CCCCCCO)CC2)cc1 ZINC001302991399 1067552770 /nfs/dbraw/zinc/55/27/70/1067552770.db2.gz HSXVYMMALUTJAJ-DEOSSOPVSA-N 0 3 466.630 3.309 20 30 JGEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001303198728 1067734045 /nfs/dbraw/zinc/73/40/45/1067734045.db2.gz JZJBZXRHPBOHLG-UHFFFAOYSA-N 0 3 493.656 3.346 20 30 JGEDHN CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001303431936 1067956317 /nfs/dbraw/zinc/95/63/17/1067956317.db2.gz BYBNWDAICWDHGJ-UHFFFAOYSA-N 0 3 479.629 3.098 20 30 JGEDHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929281 1067977438 /nfs/dbraw/zinc/97/74/38/1067977438.db2.gz UHAHYOWLCYECRI-TXTKFYIRSA-N 0 3 484.670 3.056 20 30 JGEDHN C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304941750 1067992682 /nfs/dbraw/zinc/99/26/82/1067992682.db2.gz LJQQRWPGPSQCLL-FPOVZHCZSA-N 0 3 452.603 3.464 20 30 JGEDHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305018151 1068062210 /nfs/dbraw/zinc/06/22/10/1068062210.db2.gz SENKOVZIFMAKOQ-OFNKIYASSA-N 0 3 484.670 3.485 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001303635547 1068163786 /nfs/dbraw/zinc/16/37/86/1068163786.db2.gz AOTCRNJFCQJRGF-URXFXBBRSA-N 0 3 459.598 3.293 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC(C)CC1 ZINC001305107829 1068176820 /nfs/dbraw/zinc/17/68/20/1068176820.db2.gz RUQABPASFVQLLO-GOSISDBHSA-N 0 3 458.010 3.332 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCCCC1 ZINC001303751478 1068312468 /nfs/dbraw/zinc/31/24/68/1068312468.db2.gz KQZBQGOHXPFHIK-RBUKOAKNSA-N 0 3 458.632 3.209 20 30 JGEDHN CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305380159 1068632401 /nfs/dbraw/zinc/63/24/01/1068632401.db2.gz JMFPANOIVBZYEQ-SIKLNZKXSA-N 0 3 451.619 3.242 20 30 JGEDHN CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305380157 1068632517 /nfs/dbraw/zinc/63/25/17/1068632517.db2.gz JMFPANOIVBZYEQ-KNQAVFIVSA-N 0 3 451.619 3.242 20 30 JGEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 ZINC001305508224 1068746493 /nfs/dbraw/zinc/74/64/93/1068746493.db2.gz FOHRMSIRVKOITA-CJFMBICVSA-N 0 3 452.603 3.181 20 30 JGEDHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164978228 722127881 /nfs/dbraw/zinc/12/78/81/722127881.db2.gz NZYVBJOCNONNBB-APWZRJJASA-N 0 3 463.916 3.282 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001300833305 1065566960 /nfs/dbraw/zinc/56/69/60/1065566960.db2.gz YYXOJPAHSFWWIK-UHFFFAOYSA-N 0 3 450.381 3.304 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300834263 1065569100 /nfs/dbraw/zinc/56/91/00/1065569100.db2.gz NFCJJYGSGGRQNH-QGZVFWFLSA-N 0 3 492.418 3.029 20 30 JGEDHN C=C(Br)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001300863270 1065624272 /nfs/dbraw/zinc/62/42/72/1065624272.db2.gz MRGOCKURYMEIMC-OAQYLSRUSA-N 0 3 470.456 3.397 20 30 JGEDHN C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300889800 1065677787 /nfs/dbraw/zinc/67/77/87/1065677787.db2.gz RGCJSRCFXMMWCX-RPLLCQBOSA-N 0 3 494.684 3.149 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 ZINC001300915188 1065715427 /nfs/dbraw/zinc/71/54/27/1065715427.db2.gz JEGLVWXQPWOPPT-QHCPKHFHSA-N 0 3 454.619 3.221 20 30 JGEDHN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300930888 1065730888 /nfs/dbraw/zinc/73/08/88/1065730888.db2.gz OQTFXIQIOHEJKF-GOSISDBHSA-N 0 3 462.440 3.217 20 30 JGEDHN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300963582 1065772103 /nfs/dbraw/zinc/77/21/03/1065772103.db2.gz WTXOQTRMTIJGIZ-OAQYLSRUSA-N 0 3 454.619 3.047 20 30 JGEDHN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300964215 1065773111 /nfs/dbraw/zinc/77/31/11/1065773111.db2.gz RCKLGSBSLNPJND-WIOPSUGQSA-N 0 3 480.657 3.429 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001301001772 1065826947 /nfs/dbraw/zinc/82/69/47/1065826947.db2.gz MZCFKSKOEGXDLG-YTFSRNRJSA-N 0 3 474.694 3.006 20 30 JGEDHN C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001301003595 1065832732 /nfs/dbraw/zinc/83/27/32/1065832732.db2.gz NAFGXAICUDEEGA-ZWDXQAFOSA-N 0 3 461.651 3.296 20 30 JGEDHN C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001301018425 1065851133 /nfs/dbraw/zinc/85/11/33/1065851133.db2.gz CKGQZEFFVPWYKS-CVEARBPZSA-N 0 3 466.055 3.218 20 30 JGEDHN C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001301064000 1065914790 /nfs/dbraw/zinc/91/47/90/1065914790.db2.gz MHIHHKKYQRVYLP-QFIPXVFZSA-N 0 3 452.603 3.150 20 30 JGEDHN C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001301107615 1065954776 /nfs/dbraw/zinc/95/47/76/1065954776.db2.gz HKZRGKRAWGAYST-QHCPKHFHSA-N 0 3 466.630 3.396 20 30 JGEDHN C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301197182 1066023822 /nfs/dbraw/zinc/02/38/22/1066023822.db2.gz GOBWXILAIJGSPL-BHIFYINESA-N 0 3 472.678 3.296 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 ZINC001301350104 1066140186 /nfs/dbraw/zinc/14/01/86/1066140186.db2.gz VRSQKPGRVHWIGB-YADHBBJMSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301458118 1066276540 /nfs/dbraw/zinc/27/65/40/1066276540.db2.gz DQEOILXBKHYISF-GCJKJVERSA-N 0 3 457.022 3.087 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)C1 ZINC001301534430 1066361466 /nfs/dbraw/zinc/36/14/66/1066361466.db2.gz APBPGNVGPULXFV-JOCHJYFZSA-N 0 3 487.048 3.375 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C ZINC001301596313 1066438542 /nfs/dbraw/zinc/43/85/42/1066438542.db2.gz LECLSWAZMXUPNP-PMACEKPBSA-N 0 3 451.681 3.267 20 30 JGEDHN C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301601945 1066446035 /nfs/dbraw/zinc/44/60/35/1066446035.db2.gz VHMHDYYPJJYCAP-UHFFFAOYSA-N 0 3 472.615 3.321 20 30 JGEDHN CC(=O)N1CCC[C@@H](Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001301690370 1066577571 /nfs/dbraw/zinc/57/75/71/1066577571.db2.gz XJTDQUGDHYDZDR-XMMPIXPASA-N 0 3 477.657 3.418 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302202457 1066697904 /nfs/dbraw/zinc/69/79/04/1066697904.db2.gz GPXWZCOFCBIPPG-HXUWFJFHSA-N 0 3 491.562 3.000 20 30 JGEDHN CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001301833887 1066800744 /nfs/dbraw/zinc/80/07/44/1066800744.db2.gz VQHYWWREMBHGIJ-IFMALSPDSA-N 0 3 493.637 3.198 20 30 JGEDHN CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 ZINC001302314249 1066910277 /nfs/dbraw/zinc/91/02/77/1066910277.db2.gz QKUKJDHFZKOXNR-UHFFFAOYSA-N 0 3 484.670 3.485 20 30 JGEDHN C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)(C)C)CC2)CCC1 ZINC001302508195 1067111763 /nfs/dbraw/zinc/11/17/63/1067111763.db2.gz IMGYAOROZNXSPY-UUWRZZSWSA-N 0 3 484.670 3.341 20 30 JGEDHN Cc1nnsc1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001304126298 1067164691 /nfs/dbraw/zinc/16/46/91/1067164691.db2.gz NEHYZLWAVSQAEA-UHFFFAOYSA-N 0 3 450.616 3.368 20 30 JGEDHN Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3)N(C)C)CC2)c1C#N ZINC001304731580 1067804483 /nfs/dbraw/zinc/80/44/83/1067804483.db2.gz QRDLMKCBEIUUTQ-HSZRJFAPSA-N 0 3 475.645 3.020 20 30 JGEDHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)C2)CC1 ZINC001303316807 1067844211 /nfs/dbraw/zinc/84/42/11/1067844211.db2.gz JQSIHZLQCHXMPQ-OAQYLSRUSA-N 0 3 457.573 3.467 20 30 JGEDHN C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304942052 1067992841 /nfs/dbraw/zinc/99/28/41/1067992841.db2.gz LJQQRWPGPSQCLL-PZJWPPBQSA-N 0 3 452.603 3.464 20 30 JGEDHN C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 ZINC001304986744 1068029568 /nfs/dbraw/zinc/02/95/68/1068029568.db2.gz LYZMGJLPZXTMTD-RZTXVSJASA-N 0 3 484.670 3.199 20 30 JGEDHN C[C@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001305042439 1068098045 /nfs/dbraw/zinc/09/80/45/1068098045.db2.gz JDGOUSWHBPDXCY-GAJHUEQPSA-N 0 3 473.984 3.035 20 30 JGEDHN C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305147722 1068249832 /nfs/dbraw/zinc/24/98/32/1068249832.db2.gz FCBOBIUHDQOEQC-UGKGYDQZSA-N 0 3 477.613 3.428 20 30 JGEDHN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCN1CC(F)(F)F ZINC001305155193 1068263956 /nfs/dbraw/zinc/26/39/56/1068263956.db2.gz OANNEARFADDQFD-SFHVURJKSA-N 0 3 459.520 3.151 20 30 JGEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1)N1CCOCC1 ZINC001305706604 1069095751 /nfs/dbraw/zinc/09/57/51/1069095751.db2.gz WOGYTTJEERGHJR-XMMPIXPASA-N 0 3 493.656 3.012 20 30 JGEDHN N#C[C@H](c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1)c1ccccc1F ZINC001164973393 722128262 /nfs/dbraw/zinc/12/82/62/722128262.db2.gz HDUIEDFQPCMGLI-KJWPAHLWSA-N 0 3 458.541 3.393 20 30 JGEDHN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1)N1CCc2ccccc2C1 ZINC001305805440 1069332165 /nfs/dbraw/zinc/33/21/65/1069332165.db2.gz BRMSVQVGOJBRNL-QNIAMRLHSA-N 0 3 470.593 3.281 20 30 JGEDHN COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299785031 1064982496 /nfs/dbraw/zinc/98/24/96/1064982496.db2.gz AXWWBUKZUAVUPR-LJQANCHMSA-N 0 3 452.584 3.318 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492460198 1065508826 /nfs/dbraw/zinc/50/88/26/1065508826.db2.gz REEDELLGXHNMRV-BWKNWUBXSA-N 0 3 499.660 3.264 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001300816746 1065545182 /nfs/dbraw/zinc/54/51/82/1065545182.db2.gz UYICRQSOFZLKBZ-YIXXDRMTSA-N 0 3 478.641 3.100 20 30 JGEDHN C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300829921 1065560362 /nfs/dbraw/zinc/56/03/62/1065560362.db2.gz MRSQDKBCBFHXNP-GOSISDBHSA-N 0 3 493.837 3.250 20 30 JGEDHN C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300850846 1065594175 /nfs/dbraw/zinc/59/41/75/1065594175.db2.gz DXXVCGVDQDZIKU-UHFFFAOYSA-N 0 3 460.420 3.387 20 30 JGEDHN C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001300873476 1065649491 /nfs/dbraw/zinc/64/94/91/1065649491.db2.gz JGFYWXGXLNKFEP-SIKLNZKXSA-N 0 3 458.651 3.242 20 30 JGEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300889802 1065677800 /nfs/dbraw/zinc/67/78/00/1065677800.db2.gz RGCJSRCFXMMWCX-SHQCIBLASA-N 0 3 494.684 3.149 20 30 JGEDHN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300964212 1065772911 /nfs/dbraw/zinc/77/29/11/1065772911.db2.gz RCKLGSBSLNPJND-RCZVLFRGSA-N 0 3 480.657 3.429 20 30 JGEDHN C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300972257 1065781714 /nfs/dbraw/zinc/78/17/14/1065781714.db2.gz KKMLWNVRBCNGPD-BJKOFHAPSA-N 0 3 480.657 3.156 20 30 JGEDHN C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001300972740 1065782209 /nfs/dbraw/zinc/78/22/09/1065782209.db2.gz PIPARWWIOWCQHP-UHFFFAOYSA-N 0 3 496.656 3.289 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001300991345 1065807058 /nfs/dbraw/zinc/80/70/58/1065807058.db2.gz RCKSIOPAYMDELJ-ACRUOGEOSA-N 0 3 492.665 3.098 20 30 JGEDHN C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301000547 1065823801 /nfs/dbraw/zinc/82/38/01/1065823801.db2.gz TULPUFRQWJKQOU-UHFFFAOYSA-N 0 3 450.587 3.386 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001301001770 1065827032 /nfs/dbraw/zinc/82/70/32/1065827032.db2.gz MZCFKSKOEGXDLG-DNVJHFABSA-N 0 3 474.694 3.006 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001301349495 1066140006 /nfs/dbraw/zinc/14/00/06/1066140006.db2.gz OIBJDXAQFKIAEO-IRLDBZIGSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301467307 1066290566 /nfs/dbraw/zinc/29/05/66/1066290566.db2.gz QTUBXOPRSHQEBN-UHFFFAOYSA-N 0 3 487.048 3.182 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301492370 1066316461 /nfs/dbraw/zinc/31/64/61/1066316461.db2.gz HAYVCIOZWKJZAS-UHFFFAOYSA-N 0 3 482.629 3.108 20 30 JGEDHN C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001301518986 1066347634 /nfs/dbraw/zinc/34/76/34/1066347634.db2.gz OEBOZXODCNNNSE-OFNKIYASSA-N 0 3 466.630 3.148 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001301535456 1066363247 /nfs/dbraw/zinc/36/32/47/1066363247.db2.gz LCNRUQYGNPUGLX-VXKWHMMOSA-N 0 3 452.603 3.035 20 30 JGEDHN C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301600516 1066443879 /nfs/dbraw/zinc/44/38/79/1066443879.db2.gz BLMJXQWDYQTKOO-UHFFFAOYSA-N 0 3 452.628 3.285 20 30 JGEDHN C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301615570 1066465224 /nfs/dbraw/zinc/46/52/24/1066465224.db2.gz PLLIKMRRLQIEMI-OAQYLSRUSA-N 0 3 460.717 3.454 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1 ZINC001301735773 1066657911 /nfs/dbraw/zinc/65/79/11/1066657911.db2.gz DGFOXROSABNISH-UHFFFAOYSA-N 0 3 466.611 3.321 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001302203753 1066700467 /nfs/dbraw/zinc/70/04/67/1066700467.db2.gz UVAKMYDOSFRVOD-LSDHQDQOSA-N 0 3 484.004 3.045 20 30 JGEDHN CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302447935 1067046293 /nfs/dbraw/zinc/04/62/93/1067046293.db2.gz AICXMXAMBSRVMN-UHFFFAOYSA-N 0 3 470.643 3.096 20 30 JGEDHN CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302802738 1067391399 /nfs/dbraw/zinc/39/13/99/1067391399.db2.gz OAGLJRDSYHOPOS-JOCHJYFZSA-N 0 3 453.660 3.175 20 30 JGEDHN Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001304433462 1067512729 /nfs/dbraw/zinc/51/27/29/1067512729.db2.gz FNTHJBXYUSGEJR-XMMPIXPASA-N 0 3 471.650 3.347 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](c1ccccc1)N(C)C ZINC001302954510 1067525940 /nfs/dbraw/zinc/52/59/40/1067525940.db2.gz OBKHCGWFJCCTCA-NFBKMPQASA-N 0 3 473.629 3.156 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](c1ccccc1)N(C)C ZINC001302954517 1067526470 /nfs/dbraw/zinc/52/64/70/1067526470.db2.gz OBKHCGWFJCCTCA-REWPJTCUSA-N 0 3 473.629 3.156 20 30 JGEDHN N#Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCCN2CCCO)cc1 ZINC001302988730 1067549640 /nfs/dbraw/zinc/54/96/40/1067549640.db2.gz AEVAZULOZXTPGU-FQEVSTJZSA-N 0 3 490.530 3.011 20 30 JGEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001303198757 1067734523 /nfs/dbraw/zinc/73/45/23/1067734523.db2.gz KOAWGFNNGQGYSG-NRFANRHFSA-N 0 3 472.684 3.355 20 30 JGEDHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001303302488 1067827196 /nfs/dbraw/zinc/82/71/96/1067827196.db2.gz JXAYEEMICVXQRJ-MOPGFXCFSA-N 0 3 458.632 3.207 20 30 JGEDHN Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304761199 1067847939 /nfs/dbraw/zinc/84/79/39/1067847939.db2.gz XTNCSKXSQBXEMK-HHHXNRCGSA-N 0 3 490.656 3.131 20 30 JGEDHN Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304761201 1067848009 /nfs/dbraw/zinc/84/80/09/1067848009.db2.gz XTNCSKXSQBXEMK-MHZLTWQESA-N 0 3 490.656 3.131 20 30 JGEDHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929282 1067977468 /nfs/dbraw/zinc/97/74/68/1067977468.db2.gz UHAHYOWLCYECRI-VIZSFHNOSA-N 0 3 484.670 3.056 20 30 JGEDHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 ZINC001304986743 1068029441 /nfs/dbraw/zinc/02/94/41/1068029441.db2.gz LYZMGJLPZXTMTD-QNIAMRLHSA-N 0 3 484.670 3.199 20 30 JGEDHN CC(C)OCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303538999 1068068425 /nfs/dbraw/zinc/06/84/25/1068068425.db2.gz YUYMZHLNVKOJIZ-UHFFFAOYSA-N 0 3 452.603 3.323 20 30 JGEDHN CC(C)OCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001303549485 1068076064 /nfs/dbraw/zinc/07/60/64/1068076064.db2.gz UMRWKJIXIVVPER-UHFFFAOYSA-N 0 3 460.586 3.134 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303627397 1068157243 /nfs/dbraw/zinc/15/72/43/1068157243.db2.gz JRSDLDXUMIJDFA-XXBNENTESA-N 0 3 489.628 3.016 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001303635545 1068163736 /nfs/dbraw/zinc/16/37/36/1068163736.db2.gz AOTCRNJFCQJRGF-QPPBQGQZSA-N 0 3 459.598 3.293 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)N1CCCCC1 ZINC001303663197 1068194367 /nfs/dbraw/zinc/19/43/67/1068194367.db2.gz LRJBYMSJWMNLKN-MOPGFXCFSA-N 0 3 458.632 3.351 20 30 JGEDHN C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303664634 1068197381 /nfs/dbraw/zinc/19/73/81/1068197381.db2.gz MALUERLLRIFIBO-UGKGYDQZSA-N 0 3 470.643 3.095 20 30 JGEDHN C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303664633 1068197448 /nfs/dbraw/zinc/19/74/48/1068197448.db2.gz MALUERLLRIFIBO-SIKLNZKXSA-N 0 3 470.643 3.095 20 30 JGEDHN CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305380161 1068632268 /nfs/dbraw/zinc/63/22/68/1068632268.db2.gz JMFPANOIVBZYEQ-UGKGYDQZSA-N 0 3 451.619 3.242 20 30 JGEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)N1CCOCC1 ZINC001305704918 1069091964 /nfs/dbraw/zinc/09/19/64/1069091964.db2.gz OCEWJFKIAWKDKP-PKTZIBPZSA-N 0 3 452.603 3.179 20 30 JGEDHN CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001305739145 1069166323 /nfs/dbraw/zinc/16/63/23/1069166323.db2.gz JNWWLWHJLKQOLD-IBGZPJMESA-N 0 3 451.619 3.457 20 30 JGEDHN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737746 720737786 /nfs/dbraw/zinc/73/77/86/720737786.db2.gz CJTFKFYTDOHUOM-LEWJYISDSA-N 0 3 492.700 3.427 20 30 JGEDHN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001305842070 1069390597 /nfs/dbraw/zinc/39/05/97/1069390597.db2.gz NAQWMLXULVNXGZ-DEOSSOPVSA-N 0 3 459.598 3.273 20 30 JGEDHN CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001299110040 1064918564 /nfs/dbraw/zinc/91/85/64/1064918564.db2.gz IGNYVBMDQBWNRS-OAQYLSRUSA-N 0 3 463.611 3.144 20 30 JGEDHN Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492344803 1065459666 /nfs/dbraw/zinc/45/96/66/1065459666.db2.gz QZMBOVRFNBWXNL-DEOSSOPVSA-N 0 3 493.656 3.157 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001300817529 1065545887 /nfs/dbraw/zinc/54/58/87/1065545887.db2.gz PAYGCHZHRFVRLZ-RUZDIDTESA-N 0 3 454.594 3.016 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001300819093 1065547438 /nfs/dbraw/zinc/54/74/38/1065547438.db2.gz KZGKZPIYZUEXLD-UMTXDNHDSA-N 0 3 499.704 3.069 20 30 JGEDHN C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001300839454 1065575891 /nfs/dbraw/zinc/57/58/91/1065575891.db2.gz HQOXSPOACIFLQY-KRWDZBQOSA-N 0 3 451.413 3.129 20 30 JGEDHN C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001300840247 1065577436 /nfs/dbraw/zinc/57/74/36/1065577436.db2.gz VYPOVVGFXBLIJP-UHFFFAOYSA-N 0 3 479.386 3.228 20 30 JGEDHN C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300857952 1065611959 /nfs/dbraw/zinc/61/19/59/1065611959.db2.gz HREXHAKDZMKJAF-LJQANCHMSA-N 0 3 476.419 3.233 20 30 JGEDHN C=C(Br)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001300863269 1065624217 /nfs/dbraw/zinc/62/42/17/1065624217.db2.gz MRGOCKURYMEIMC-NRFANRHFSA-N 0 3 470.456 3.397 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001300912646 1065713025 /nfs/dbraw/zinc/71/30/25/1065713025.db2.gz HWWZOZBTZWUKEE-VXKWHMMOSA-N 0 3 452.603 3.477 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001300912645 1065713117 /nfs/dbraw/zinc/71/31/17/1065713117.db2.gz HWWZOZBTZWUKEE-FGZHOGPDSA-N 0 3 452.603 3.477 20 30 JGEDHN COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001300986770 1065799846 /nfs/dbraw/zinc/79/98/46/1065799846.db2.gz ZIGTYSXGGPEYMB-HXUWFJFHSA-N 0 3 452.603 3.466 20 30 JGEDHN COC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001301003336 1065831514 /nfs/dbraw/zinc/83/15/14/1065831514.db2.gz LRBXFVWJAQLMHN-JOCHJYFZSA-N 0 3 464.570 3.092 20 30 JGEDHN C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301019628 1065853996 /nfs/dbraw/zinc/85/39/96/1065853996.db2.gz NQXLOVGPHGGIAI-SFHVURJKSA-N 0 3 480.947 3.042 20 30 JGEDHN C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001301057116 1065908805 /nfs/dbraw/zinc/90/88/05/1065908805.db2.gz OTUQNZNFINVFFY-SFHVURJKSA-N 0 3 461.994 3.308 20 30 JGEDHN C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC001301106148 1065952738 /nfs/dbraw/zinc/95/27/38/1065952738.db2.gz QPCPDJGKCPTSCE-XXBNENTESA-N 0 3 486.686 3.128 20 30 JGEDHN C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001301107614 1065954685 /nfs/dbraw/zinc/95/46/85/1065954685.db2.gz HKZRGKRAWGAYST-HSZRJFAPSA-N 0 3 466.630 3.396 20 30 JGEDHN C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001301119321 1065962580 /nfs/dbraw/zinc/96/25/80/1065962580.db2.gz DXWICJLUIULCEG-HXUWFJFHSA-N 0 3 468.646 3.391 20 30 JGEDHN C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301143307 1065981120 /nfs/dbraw/zinc/98/11/20/1065981120.db2.gz IIBSNZZBBGJPRW-UHFFFAOYSA-N 0 3 461.614 3.163 20 30 JGEDHN C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001301229023 1066048437 /nfs/dbraw/zinc/04/84/37/1066048437.db2.gz DXWOGWLQDUWVJD-QHCPKHFHSA-N 0 3 451.663 3.139 20 30 JGEDHN C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301271255 1066084464 /nfs/dbraw/zinc/08/44/64/1066084464.db2.gz QFWNWUMDJJYKCB-JYFHCDHNSA-N 0 3 469.630 3.232 20 30 JGEDHN C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301305460 1066109182 /nfs/dbraw/zinc/10/91/82/1066109182.db2.gz YSOAGXOICULTIK-NRFANRHFSA-N 0 3 480.638 3.183 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1 ZINC001301954532 1066257547 /nfs/dbraw/zinc/25/75/47/1066257547.db2.gz YOERHHVCXWNZHP-ROUUACIJSA-N 0 3 458.010 3.189 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001301965306 1066270087 /nfs/dbraw/zinc/27/00/87/1066270087.db2.gz IXZRGXFXUMZEDG-UWJYYQICSA-N 0 3 498.632 3.276 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001301535458 1066363011 /nfs/dbraw/zinc/36/30/11/1066363011.db2.gz LCNRUQYGNPUGLX-YADHBBJMSA-N 0 3 452.603 3.035 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301539355 1066367652 /nfs/dbraw/zinc/36/76/52/1066367652.db2.gz RAKNHQRXJAVBNE-OFNKIYASSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@@H]2C)C1 ZINC001301542694 1066370885 /nfs/dbraw/zinc/37/08/85/1066370885.db2.gz DYDNWIPMTHXGJY-RBBKRZOGSA-N 0 3 487.670 3.394 20 30 JGEDHN C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301615569 1066465096 /nfs/dbraw/zinc/46/50/96/1066465096.db2.gz PLLIKMRRLQIEMI-NRFANRHFSA-N 0 3 460.717 3.454 20 30 JGEDHN CC(=O)N1CCC[C@H](Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001301690369 1066577604 /nfs/dbraw/zinc/57/76/04/1066577604.db2.gz XJTDQUGDHYDZDR-DEOSSOPVSA-N 0 3 477.657 3.418 20 30 JGEDHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 ZINC001301730929 1066650130 /nfs/dbraw/zinc/65/01/30/1066650130.db2.gz GLGYSHJAFMBUHW-NRFANRHFSA-N 0 3 489.665 3.101 20 30 JGEDHN Cc1cccc(CN2CC[C@@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)c1 ZINC001301781627 1066731593 /nfs/dbraw/zinc/73/15/93/1066731593.db2.gz BSJOMOBAMQVQQG-OAQYLSRUSA-N 0 3 453.384 3.456 20 30 JGEDHN CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001302326138 1066926738 /nfs/dbraw/zinc/92/67/38/1066926738.db2.gz JLRDCYAYLILICI-JTMIDMFHSA-N 0 3 484.670 3.341 20 30 JGEDHN CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001302326139 1066926759 /nfs/dbraw/zinc/92/67/59/1066926759.db2.gz JLRDCYAYLILICI-TXRXYBTHSA-N 0 3 484.670 3.341 20 30 JGEDHN CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302548471 1067184813 /nfs/dbraw/zinc/18/48/13/1067184813.db2.gz PFJYBJQSJXIMDW-UGKGYDQZSA-N 0 3 453.660 3.173 20 30 JGEDHN CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001302950361 1067524200 /nfs/dbraw/zinc/52/42/00/1067524200.db2.gz VULYWTUKDAHAAN-UHFFFAOYSA-N 0 3 476.604 3.341 20 30 JGEDHN CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303118158 1067656541 /nfs/dbraw/zinc/65/65/41/1067656541.db2.gz SBTVDDHILZHEPU-UHFFFAOYSA-N 0 3 452.603 3.180 20 30 JGEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304847412 1067901990 /nfs/dbraw/zinc/90/19/90/1067901990.db2.gz KAQAVVZVLBUPKU-UHFFFAOYSA-N 0 3 489.571 3.331 20 30 JGEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001304847910 1067902386 /nfs/dbraw/zinc/90/23/86/1067902386.db2.gz SNXAAGPUUAUVOL-UHFFFAOYSA-N 0 3 475.563 3.445 20 30 JGEDHN C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305018150 1068062359 /nfs/dbraw/zinc/06/23/59/1068062359.db2.gz SENKOVZIFMAKOQ-NZQKXSOJSA-N 0 3 484.670 3.485 20 30 JGEDHN CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305107077 1068175829 /nfs/dbraw/zinc/17/58/29/1068175829.db2.gz XUBCHUCLJYNHOS-HSZRJFAPSA-N 0 3 484.670 3.342 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N1CCCCC1 ZINC001303665187 1068198382 /nfs/dbraw/zinc/19/83/82/1068198382.db2.gz SHYMDULADIVSQX-AQNXPRMDSA-N 0 3 472.659 3.339 20 30 JGEDHN C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N)CN1CCCCC1 ZINC001303751479 1068312428 /nfs/dbraw/zinc/31/24/28/1068312428.db2.gz KQZBQGOHXPFHIK-RTBURBONSA-N 0 3 458.632 3.209 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305508225 1068746364 /nfs/dbraw/zinc/74/63/64/1068746364.db2.gz FOHRMSIRVKOITA-CPJSRVTESA-N 0 3 452.603 3.181 20 30 JGEDHN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737747 720736797 /nfs/dbraw/zinc/73/67/97/720736797.db2.gz CJTFKFYTDOHUOM-NHCUHLMSSA-N 0 3 492.700 3.427 20 30 JGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766381 721139451 /nfs/dbraw/zinc/13/94/51/721139451.db2.gz KXRNGJHAACOPHN-FUHWJXTLSA-N 0 3 451.937 3.500 20 30 JGEDHN Cc1nc(CN2CCO[C@@H]3CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC[C@@H]32)cs1 ZINC001164986216 722185963 /nfs/dbraw/zinc/18/59/63/722185963.db2.gz DRLRCUAMJQRHPJ-SLFFLAALSA-N 0 3 484.626 3.060 20 30 JGEDHN CN1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C ZINC001298897101 1064703522 /nfs/dbraw/zinc/70/35/22/1064703522.db2.gz LKAQORUMAKPLQT-RUZDIDTESA-N 0 3 453.610 3.164 20 30 JGEDHN C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300829922 1065560403 /nfs/dbraw/zinc/56/04/03/1065560403.db2.gz MRSQDKBCBFHXNP-SFHVURJKSA-N 0 3 493.837 3.250 20 30 JGEDHN C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300857950 1065611980 /nfs/dbraw/zinc/61/19/80/1065611980.db2.gz HREXHAKDZMKJAF-IBGZPJMESA-N 0 3 476.419 3.233 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001300915030 1065715206 /nfs/dbraw/zinc/71/52/06/1065715206.db2.gz IPUNATSSFSYPDF-QPPBQGQZSA-N 0 3 468.646 3.467 20 30 JGEDHN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001300944997 1065747612 /nfs/dbraw/zinc/74/76/12/1065747612.db2.gz NENUCVNEBPEXGY-SFHVURJKSA-N 0 3 459.436 3.500 20 30 JGEDHN C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300950398 1065753530 /nfs/dbraw/zinc/75/35/30/1065753530.db2.gz CIXQNJPEKXRMCL-RTWAWAEBSA-N 0 3 474.650 3.127 20 30 JGEDHN C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001301014334 1065848332 /nfs/dbraw/zinc/84/83/32/1065848332.db2.gz YYSOKUXMJOBEQE-KRWDZBQOSA-N 0 3 493.439 3.304 20 30 JGEDHN C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001301018426 1065851024 /nfs/dbraw/zinc/85/10/24/1065851024.db2.gz CKGQZEFFVPWYKS-HOTGVXAUSA-N 0 3 466.055 3.218 20 30 JGEDHN C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301023790 1065860280 /nfs/dbraw/zinc/86/02/80/1065860280.db2.gz JLECUDRHGXLOAO-SFHVURJKSA-N 0 3 493.837 3.203 20 30 JGEDHN C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301055960 1065907011 /nfs/dbraw/zinc/90/70/11/1065907011.db2.gz WGSCMUUVVGHWFP-SFHVURJKSA-N 0 3 464.035 3.490 20 30 JGEDHN C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301055959 1065907100 /nfs/dbraw/zinc/90/71/00/1065907100.db2.gz WGSCMUUVVGHWFP-GOSISDBHSA-N 0 3 464.035 3.490 20 30 JGEDHN C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCN(CC)CC2)CC1 ZINC001301096688 1065943877 /nfs/dbraw/zinc/94/38/77/1065943877.db2.gz BAGLFOXILIVEIE-SZPZYZBQSA-N 0 3 487.693 3.233 20 30 JGEDHN C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC001301106144 1065952784 /nfs/dbraw/zinc/95/27/84/1065952784.db2.gz QPCPDJGKCPTSCE-CVDCTZTESA-N 0 3 486.686 3.128 20 30 JGEDHN C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301155909 1065992522 /nfs/dbraw/zinc/99/25/22/1065992522.db2.gz ZCLYBYGPSDKHOB-HSZRJFAPSA-N 0 3 464.658 3.408 20 30 JGEDHN C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301262598 1066077705 /nfs/dbraw/zinc/07/77/05/1066077705.db2.gz XNQHNTGHTJHNEQ-YMPZKCBVSA-N 0 3 475.678 3.479 20 30 JGEDHN C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301271256 1066084607 /nfs/dbraw/zinc/08/46/07/1066084607.db2.gz QFWNWUMDJJYKCB-OZXSUGGESA-N 0 3 469.630 3.232 20 30 JGEDHN C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001301294832 1066099623 /nfs/dbraw/zinc/09/96/23/1066099623.db2.gz STIMGIKOHHNPSE-FQEVSTJZSA-N 0 3 475.682 3.041 20 30 JGEDHN C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C)C(C)(C)C1)C1CC1 ZINC001301315840 1066115083 /nfs/dbraw/zinc/11/50/83/1066115083.db2.gz CHADPNPFFISMFV-UHFFFAOYSA-N 0 3 476.467 3.227 20 30 JGEDHN C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301338401 1066128010 /nfs/dbraw/zinc/12/80/10/1066128010.db2.gz XPZINDUBXJHWEE-QFIPXVFZSA-N 0 3 468.646 3.009 20 30 JGEDHN C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301401370 1066182584 /nfs/dbraw/zinc/18/25/84/1066182584.db2.gz AKLZNQZEDDBXMO-HSZRJFAPSA-N 0 3 452.647 3.391 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001301951506 1066251044 /nfs/dbraw/zinc/25/10/44/1066251044.db2.gz AJPOFBZVEPRMRJ-FPOVZHCZSA-N 0 3 458.570 3.358 20 30 JGEDHN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301444587 1066255495 /nfs/dbraw/zinc/25/54/95/1066255495.db2.gz PZEXVZDCVSZTBF-LAUBAEHRSA-N 0 3 473.021 3.172 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001301954530 1066257694 /nfs/dbraw/zinc/25/76/94/1066257694.db2.gz YOERHHVCXWNZHP-QZTJIDSGSA-N 0 3 458.010 3.189 20 30 JGEDHN C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301473952 1066297997 /nfs/dbraw/zinc/29/79/97/1066297997.db2.gz OJHQVYFZXHBYOB-QUCCMNQESA-N 0 3 460.623 3.226 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001301489726 1066313274 /nfs/dbraw/zinc/31/32/74/1066313274.db2.gz ATSGZUVCZPSVAZ-GJZGRUSLSA-N 0 3 451.402 3.473 20 30 JGEDHN C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001301520806 1066349745 /nfs/dbraw/zinc/34/97/45/1066349745.db2.gz PMOZLGLCSDBVBS-UHFFFAOYSA-N 0 3 475.597 3.317 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001301736762 1066658736 /nfs/dbraw/zinc/65/87/36/1066658736.db2.gz OJNMXCLFEWHMLU-DEOSSOPVSA-N 0 3 458.582 3.175 20 30 JGEDHN COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CCN1CC=CCC1 ZINC001301803233 1066754830 /nfs/dbraw/zinc/75/48/30/1066754830.db2.gz JWICHQHRCSTAEV-UHFFFAOYSA-N 0 3 477.382 3.475 20 30 JGEDHN CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001302565715 1067204945 /nfs/dbraw/zinc/20/49/45/1067204945.db2.gz GVFRLNQRSNLMSE-OALUTQOASA-N 0 3 470.643 3.170 20 30 JGEDHN CC(C)(C)OC(=O)NC1(CC(=O)N2CCO[C@](C)(C#N)C2)CCN(Cc2ccccc2)CC1 ZINC001304193056 1067243640 /nfs/dbraw/zinc/24/36/40/1067243640.db2.gz NBIVTRKIRYGWCH-XMMPIXPASA-N 0 3 456.587 3.077 20 30 JGEDHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)N(C)C)cc1 ZINC001304278539 1067318124 /nfs/dbraw/zinc/31/81/24/1067318124.db2.gz MIUVBTLRRQXGJY-ICSRJNTNSA-N 0 3 465.627 3.477 20 30 JGEDHN CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302708905 1067330891 /nfs/dbraw/zinc/33/08/91/1067330891.db2.gz FQRGUWURRSGHML-OAQYLSRUSA-N 0 3 483.686 3.087 20 30 JGEDHN Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCC(=O)NC(C)C)o1 ZINC001304322161 1067369604 /nfs/dbraw/zinc/36/96/04/1067369604.db2.gz HHBAZZGPTCNUHY-UHFFFAOYSA-N 0 3 475.597 3.345 20 30 JGEDHN Cc1cccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCCCCO)n1 ZINC001304478970 1067558048 /nfs/dbraw/zinc/55/80/48/1067558048.db2.gz LNHXWULUMAGPQL-UHFFFAOYSA-N 0 3 459.598 3.395 20 30 JGEDHN Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304502464 1067576957 /nfs/dbraw/zinc/57/69/57/1067576957.db2.gz BKUAFSFIXYODES-HSZRJFAPSA-N 0 3 493.656 3.238 20 30 JGEDHN Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304502465 1067577000 /nfs/dbraw/zinc/57/70/00/1067577000.db2.gz BKUAFSFIXYODES-QHCPKHFHSA-N 0 3 493.656 3.238 20 30 JGEDHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303316641 1067843634 /nfs/dbraw/zinc/84/36/34/1067843634.db2.gz HJRHOJRZTVTQPC-OAQYLSRUSA-N 0 3 491.562 3.348 20 30 JGEDHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929283 1067977495 /nfs/dbraw/zinc/97/74/95/1067977495.db2.gz UHAHYOWLCYECRI-ZRCGQRJVSA-N 0 3 484.670 3.056 20 30 JGEDHN C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304942053 1067992864 /nfs/dbraw/zinc/99/28/64/1067992864.db2.gz LJQQRWPGPSQCLL-TZIWHRDSSA-N 0 3 452.603 3.464 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303641003 1068168376 /nfs/dbraw/zinc/16/83/76/1068168376.db2.gz OXIRDVYMFQNFKT-NFBKMPQASA-N 0 3 473.629 3.493 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)N1CCCCC1 ZINC001303663198 1068194481 /nfs/dbraw/zinc/19/44/81/1068194481.db2.gz LRJBYMSJWMNLKN-OALUTQOASA-N 0 3 458.632 3.351 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303664632 1068197290 /nfs/dbraw/zinc/19/72/90/1068197290.db2.gz MALUERLLRIFIBO-KNQAVFIVSA-N 0 3 470.643 3.095 20 30 JGEDHN C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C ZINC001305123779 1068208796 /nfs/dbraw/zinc/20/87/96/1068208796.db2.gz ZEVIAHQYVMJWFW-HKUYNNGSSA-N 0 3 479.658 3.317 20 30 JGEDHN C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147721 1068249964 /nfs/dbraw/zinc/24/99/64/1068249964.db2.gz FCBOBIUHDQOEQC-SIKLNZKXSA-N 0 3 477.613 3.428 20 30 JGEDHN C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305229265 1068373907 /nfs/dbraw/zinc/37/39/07/1068373907.db2.gz QQLDXEFUKURHOF-FPOVZHCZSA-N 0 3 452.603 3.322 20 30 JGEDHN C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305229267 1068374193 /nfs/dbraw/zinc/37/41/93/1068374193.db2.gz QQLDXEFUKURHOF-TZIWHRDSSA-N 0 3 452.603 3.322 20 30 JGEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305508227 1068746330 /nfs/dbraw/zinc/74/63/30/1068746330.db2.gz FOHRMSIRVKOITA-NLFFAJNJSA-N 0 3 452.603 3.181 20 30 JGEDHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)C3)O2)CC1 ZINC001164894404 721437164 /nfs/dbraw/zinc/43/71/64/721437164.db2.gz MCNBEIUBMXXVEB-IAPPQJPRSA-N 0 3 475.637 3.492 20 30 JGEDHN N#C[C@H](c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1)c1ccccc1F ZINC001164973403 722128054 /nfs/dbraw/zinc/12/80/54/722128054.db2.gz HDUIEDFQPCMGLI-XTJBDQBJSA-N 0 3 458.541 3.393 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 ZINC001300817250 1065545137 /nfs/dbraw/zinc/54/51/37/1065545137.db2.gz FDXCWJVGBGZMPR-BCQCSXDESA-N 0 3 499.704 3.368 20 30 JGEDHN C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 ZINC001300824201 1065552441 /nfs/dbraw/zinc/55/24/41/1065552441.db2.gz QCNFWTAYMGOLJN-UHFFFAOYSA-N 0 3 475.435 3.426 20 30 JGEDHN C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300844425 1065584917 /nfs/dbraw/zinc/58/49/17/1065584917.db2.gz MCCVZJGLZRRDIR-LJQANCHMSA-N 0 3 474.451 3.162 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300886296 1065673759 /nfs/dbraw/zinc/67/37/59/1065673759.db2.gz WXYREHLGBKLBQA-QYOMTGNWSA-N 0 3 486.705 3.227 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001300886291 1065673813 /nfs/dbraw/zinc/67/38/13/1065673813.db2.gz WXYREHLGBKLBQA-APWUFGDNSA-N 0 3 486.705 3.227 20 30 JGEDHN C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300927514 1065726849 /nfs/dbraw/zinc/72/68/49/1065726849.db2.gz JHLFOZZFEYWVEP-QFIPXVFZSA-N 0 3 486.064 3.042 20 30 JGEDHN C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001300963318 1065772064 /nfs/dbraw/zinc/77/20/64/1065772064.db2.gz SDDOKTDSBMBZMT-UHFFFAOYSA-N 0 3 453.566 3.370 20 30 JGEDHN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300964213 1065773027 /nfs/dbraw/zinc/77/30/27/1065773027.db2.gz RCKLGSBSLNPJND-RDGATRHJSA-N 0 3 480.657 3.429 20 30 JGEDHN C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301000521 1065823161 /nfs/dbraw/zinc/82/31/61/1065823161.db2.gz SFXQAUSCFWGJMA-UHFFFAOYSA-N 0 3 469.630 3.368 20 30 JGEDHN C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001301018427 1065850980 /nfs/dbraw/zinc/85/09/80/1065850980.db2.gz CKGQZEFFVPWYKS-HZPDHXFCSA-N 0 3 466.055 3.218 20 30 JGEDHN C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001301018428 1065851701 /nfs/dbraw/zinc/85/17/01/1065851701.db2.gz CKGQZEFFVPWYKS-JKSUJKDBSA-N 0 3 466.055 3.218 20 30 JGEDHN C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301050204 1065897909 /nfs/dbraw/zinc/89/79/09/1065897909.db2.gz NCYSZBVSWQLMQD-CVDCTZTESA-N 0 3 487.048 3.031 20 30 JGEDHN C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301143264 1065981314 /nfs/dbraw/zinc/98/13/14/1065981314.db2.gz GUDQKAALZPNQOS-JOCHJYFZSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001301207479 1066031452 /nfs/dbraw/zinc/03/14/52/1066031452.db2.gz WRGHSFGOVPWRFT-GOSISDBHSA-N 0 3 462.440 3.218 20 30 JGEDHN C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301271257 1066084379 /nfs/dbraw/zinc/08/43/79/1066084379.db2.gz QFWNWUMDJJYKCB-ZEQKJWHPSA-N 0 3 469.630 3.232 20 30 JGEDHN COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301374974 1066168383 /nfs/dbraw/zinc/16/83/83/1066168383.db2.gz OKFACFUKNBQALV-VQTJNVASSA-N 0 3 452.584 3.033 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001301952869 1066254501 /nfs/dbraw/zinc/25/45/01/1066254501.db2.gz OIXFVFXPYUYALC-GGAORHGYSA-N 0 3 477.657 3.287 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001301952872 1066254669 /nfs/dbraw/zinc/25/46/69/1066254669.db2.gz OIXFVFXPYUYALC-GMAHTHKFSA-N 0 3 477.657 3.287 20 30 JGEDHN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301444586 1066255525 /nfs/dbraw/zinc/25/55/25/1066255525.db2.gz PZEXVZDCVSZTBF-DYESRHJHSA-N 0 3 473.021 3.172 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001301965303 1066269379 /nfs/dbraw/zinc/26/93/79/1066269379.db2.gz IXZRGXFXUMZEDG-DYESRHJHSA-N 0 3 498.632 3.276 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CC)C1 ZINC001301534424 1066361221 /nfs/dbraw/zinc/36/12/21/1066361221.db2.gz AMSFAUASFPJXRN-FCHUYYIVSA-N 0 3 452.603 3.413 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CC)C1 ZINC001301534425 1066361513 /nfs/dbraw/zinc/36/15/13/1066361513.db2.gz AMSFAUASFPJXRN-FGZHOGPDSA-N 0 3 452.603 3.413 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)C1 ZINC001301535450 1066362859 /nfs/dbraw/zinc/36/28/59/1066362859.db2.gz LCNRUQYGNPUGLX-FCHUYYIVSA-N 0 3 452.603 3.035 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)C1 ZINC001301535453 1066362984 /nfs/dbraw/zinc/36/29/84/1066362984.db2.gz LCNRUQYGNPUGLX-FGZHOGPDSA-N 0 3 452.603 3.035 20 30 JGEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301601716 1066445226 /nfs/dbraw/zinc/44/52/26/1066445226.db2.gz IBTISBODCBTJMX-HYBUGGRVSA-N 0 3 493.681 3.115 20 30 JGEDHN C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301611392 1066458701 /nfs/dbraw/zinc/45/87/01/1066458701.db2.gz LKWYMRLPDNUKQM-SFHVURJKSA-N 0 3 463.598 3.225 20 30 JGEDHN C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301611389 1066458826 /nfs/dbraw/zinc/45/88/26/1066458826.db2.gz LKWYMRLPDNUKQM-GOSISDBHSA-N 0 3 463.598 3.225 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001301737556 1066659379 /nfs/dbraw/zinc/65/93/79/1066659379.db2.gz ZFRPZYUFDDDNTH-GOSISDBHSA-N 0 3 466.508 3.086 20 30 JGEDHN COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301737067 1066659528 /nfs/dbraw/zinc/65/95/28/1066659528.db2.gz RXRNRGCHYXOXQU-UHFFFAOYSA-N 0 3 464.492 3.006 20 30 JGEDHN C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)(C)C)CC2)CCC1 ZINC001302508194 1067111742 /nfs/dbraw/zinc/11/17/42/1067111742.db2.gz IMGYAOROZNXSPY-UMSFTDKQSA-N 0 3 484.670 3.341 20 30 JGEDHN CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302548469 1067184606 /nfs/dbraw/zinc/18/46/06/1067184606.db2.gz PFJYBJQSJXIMDW-SIKLNZKXSA-N 0 3 453.660 3.173 20 30 JGEDHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)N(C)C)cc1 ZINC001304278541 1067318104 /nfs/dbraw/zinc/31/81/04/1067318104.db2.gz MIUVBTLRRQXGJY-QUCCMNQESA-N 0 3 465.627 3.477 20 30 JGEDHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1)N(C)C ZINC001302808365 1067396239 /nfs/dbraw/zinc/39/62/39/1067396239.db2.gz OJWLWVXLZHYFMI-HXUWFJFHSA-N 0 3 472.659 3.455 20 30 JGEDHN Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304454590 1067535962 /nfs/dbraw/zinc/53/59/62/1067535962.db2.gz OGSRLPNBIZLXGK-UHFFFAOYSA-N 0 3 458.614 3.183 20 30 JGEDHN CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001303066064 1067601525 /nfs/dbraw/zinc/60/15/25/1067601525.db2.gz TVXZQJLWEWYVEH-OFNKIYASSA-N 0 3 463.630 3.442 20 30 JGEDHN CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303384857 1067912975 /nfs/dbraw/zinc/91/29/75/1067912975.db2.gz FQHQFCPTKOZRCT-HSZRJFAPSA-N 0 3 473.691 3.298 20 30 JGEDHN Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001304881851 1067926722 /nfs/dbraw/zinc/92/67/22/1067926722.db2.gz PRLDJIOSQKVHJS-UHFFFAOYSA-N 0 3 463.586 3.354 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303627396 1068157138 /nfs/dbraw/zinc/15/71/38/1068157138.db2.gz JRSDLDXUMIJDFA-WMZHIEFXSA-N 0 3 489.628 3.016 20 30 JGEDHN C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCCCC1 ZINC001303663737 1068195618 /nfs/dbraw/zinc/19/56/18/1068195618.db2.gz FBBYPXMMDRGJJD-IBGZPJMESA-N 0 3 470.643 3.095 20 30 JGEDHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305324724 1068545256 /nfs/dbraw/zinc/54/52/56/1068545256.db2.gz SXFAKTFLXJCWGG-ZBLYBZFDSA-N 0 3 490.656 3.411 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001303916471 1068568064 /nfs/dbraw/zinc/56/80/64/1068568064.db2.gz IZZNSSBPNZNRPI-MOPGFXCFSA-N 0 3 457.598 3.322 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 ZINC001305508226 1068746452 /nfs/dbraw/zinc/74/64/52/1068746452.db2.gz FOHRMSIRVKOITA-NBGIEHNGSA-N 0 3 452.603 3.181 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCOCC1 ZINC001305508466 1068747022 /nfs/dbraw/zinc/74/70/22/1068747022.db2.gz HDBJNWAWJAGECD-QHCPKHFHSA-N 0 3 479.673 3.488 20 30 JGEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164683583 719629608 /nfs/dbraw/zinc/62/96/08/719629608.db2.gz TUJDZNVXSUSGCJ-UHFFFAOYSA-N 0 3 466.920 3.063 20 30 JGEDHN COc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164978235 722128083 /nfs/dbraw/zinc/12/80/83/722128083.db2.gz NZYVBJOCNONNBB-QFBILLFUSA-N 0 3 463.916 3.282 20 30 JGEDHN COc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164978233 722128475 /nfs/dbraw/zinc/12/84/75/722128475.db2.gz NZYVBJOCNONNBB-LPHOPBHVSA-N 0 3 463.916 3.282 20 30 JGEDHN Cc1nc(CN2CCO[C@@H]3CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC[C@@H]32)cs1 ZINC001164986211 722185953 /nfs/dbraw/zinc/18/59/53/722185953.db2.gz DRLRCUAMJQRHPJ-HSALFYBXSA-N 0 3 484.626 3.060 20 30 JGEDHN CN1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C)(C#N)CC2)CC1(C)C ZINC001298902997 1064707145 /nfs/dbraw/zinc/70/71/45/1064707145.db2.gz JUYXEKBDAYQXTJ-NHCUHLMSSA-N 0 3 471.694 3.353 20 30 JGEDHN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492313042 1065391159 /nfs/dbraw/zinc/39/11/59/1065391159.db2.gz URFLVEAIZQRXAC-NRFANRHFSA-N 0 3 453.635 3.238 20 30 JGEDHN C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001300823245 1065550814 /nfs/dbraw/zinc/55/08/14/1065550814.db2.gz AGEJJAQCQGDSSH-UHFFFAOYSA-N 0 3 474.407 3.289 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001300834109 1065567981 /nfs/dbraw/zinc/56/79/81/1065567981.db2.gz IVYCZKUOZGEWEH-UHFFFAOYSA-N 0 3 481.826 3.451 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001300873478 1065649514 /nfs/dbraw/zinc/64/95/14/1065649514.db2.gz JGFYWXGXLNKFEP-UGKGYDQZSA-N 0 3 458.651 3.242 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001300915166 1065715114 /nfs/dbraw/zinc/71/51/14/1065715114.db2.gz IPUNATSSFSYPDF-XUZZJYLKSA-N 0 3 468.646 3.467 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001300915167 1065715395 /nfs/dbraw/zinc/71/53/95/1065715395.db2.gz IPUNATSSFSYPDF-ZJSXRUAMSA-N 0 3 468.646 3.467 20 30 JGEDHN C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300950395 1065753565 /nfs/dbraw/zinc/75/35/65/1065753565.db2.gz CIXQNJPEKXRMCL-LEWJYISDSA-N 0 3 474.650 3.127 20 30 JGEDHN C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300950400 1065753626 /nfs/dbraw/zinc/75/36/26/1065753626.db2.gz CIXQNJPEKXRMCL-SFTDATJTSA-N 0 3 474.650 3.127 20 30 JGEDHN C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300972263 1065781631 /nfs/dbraw/zinc/78/16/31/1065781631.db2.gz KKMLWNVRBCNGPD-ZEQRLZLVSA-N 0 3 480.657 3.156 20 30 JGEDHN C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001300972602 1065782293 /nfs/dbraw/zinc/78/22/93/1065782293.db2.gz MZNMUDQWPBVELY-UHFFFAOYSA-N 0 3 475.597 3.230 20 30 JGEDHN COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001300986766 1065799637 /nfs/dbraw/zinc/79/96/37/1065799637.db2.gz ZIGTYSXGGPEYMB-FQEVSTJZSA-N 0 3 452.603 3.466 20 30 JGEDHN C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301198466 1066024384 /nfs/dbraw/zinc/02/43/84/1066024384.db2.gz KCTPTHMZZVUFCY-UHFFFAOYSA-N 0 3 450.587 3.386 20 30 JGEDHN C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301231782 1066050638 /nfs/dbraw/zinc/05/06/38/1066050638.db2.gz PWVRWZPRPGIZEG-HXUWFJFHSA-N 0 3 450.587 3.384 20 30 JGEDHN C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC2CC2)CC1 ZINC001301240511 1066058315 /nfs/dbraw/zinc/05/83/15/1066058315.db2.gz ATQRCTXWOMJREG-UHFFFAOYSA-N 0 3 463.424 3.171 20 30 JGEDHN C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301251455 1066068518 /nfs/dbraw/zinc/06/85/18/1066068518.db2.gz DRMBIOLMUBQLCJ-UHFFFAOYSA-N 0 3 493.656 3.343 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 ZINC001301349967 1066140143 /nfs/dbraw/zinc/14/01/43/1066140143.db2.gz VRSQKPGRVHWIGB-FCHUYYIVSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 ZINC001301350103 1066140175 /nfs/dbraw/zinc/14/01/75/1066140175.db2.gz VRSQKPGRVHWIGB-VXKWHMMOSA-N 0 3 457.644 3.105 20 30 JGEDHN COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301374972 1066168422 /nfs/dbraw/zinc/16/84/22/1066168422.db2.gz OKFACFUKNBQALV-UXHICEINSA-N 0 3 452.584 3.033 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001301951505 1066251327 /nfs/dbraw/zinc/25/13/27/1066251327.db2.gz AJPOFBZVEPRMRJ-CTNGQTDRSA-N 0 3 458.570 3.358 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001301489727 1066313053 /nfs/dbraw/zinc/31/30/53/1066313053.db2.gz ATSGZUVCZPSVAZ-HUUCEWRRSA-N 0 3 451.402 3.473 20 30 JGEDHN C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001301518987 1066347846 /nfs/dbraw/zinc/34/78/46/1066347846.db2.gz OEBOZXODCNNNSE-REWPJTCUSA-N 0 3 466.630 3.148 20 30 JGEDHN C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301528472 1066356419 /nfs/dbraw/zinc/35/64/19/1066356419.db2.gz CLWCJGFNHSRZDL-NRFANRHFSA-N 0 3 466.630 3.149 20 30 JGEDHN C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001301529765 1066358386 /nfs/dbraw/zinc/35/83/86/1066358386.db2.gz NOMWMZXQYGKOLU-UHFFFAOYSA-N 0 3 452.603 3.094 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301538907 1066366699 /nfs/dbraw/zinc/36/66/99/1066366699.db2.gz MDYUUCAMDLPDAS-LEWJYISDSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001301615273 1066465173 /nfs/dbraw/zinc/46/51/73/1066465173.db2.gz JIGJULAUBTYUHE-FQEVSTJZSA-N 0 3 471.671 3.486 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001302203756 1066700561 /nfs/dbraw/zinc/70/05/61/1066700561.db2.gz UVAKMYDOSFRVOD-XDOYNYLZSA-N 0 3 484.004 3.045 20 30 JGEDHN CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001301833893 1066800728 /nfs/dbraw/zinc/80/07/28/1066800728.db2.gz VQHYWWREMBHGIJ-UNMCSNQZSA-N 0 3 493.637 3.198 20 30 JGEDHN CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC001302335107 1066934789 /nfs/dbraw/zinc/93/47/89/1066934789.db2.gz RXXOSKZHZINKPH-UHFFFAOYSA-N 0 3 489.546 3.150 20 30 JGEDHN CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302548467 1067184647 /nfs/dbraw/zinc/18/46/47/1067184647.db2.gz PFJYBJQSJXIMDW-KNQAVFIVSA-N 0 3 453.660 3.173 20 30 JGEDHN CC(C)(C)OC(=O)NC1(CC(=O)N2CCO[C@@](C)(C#N)C2)CCN(Cc2ccccc2)CC1 ZINC001304193054 1067243565 /nfs/dbraw/zinc/24/35/65/1067243565.db2.gz NBIVTRKIRYGWCH-DEOSSOPVSA-N 0 3 456.587 3.077 20 30 JGEDHN CSCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302743335 1067352971 /nfs/dbraw/zinc/35/29/71/1067352971.db2.gz CFUSVQLOLRFMEX-UHFFFAOYSA-N 0 3 481.670 3.094 20 30 JGEDHN CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001302764878 1067365197 /nfs/dbraw/zinc/36/51/97/1067365197.db2.gz RRVHWIJOBAVLPP-UHFFFAOYSA-N 0 3 464.643 3.406 20 30 JGEDHN CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001303066062 1067601453 /nfs/dbraw/zinc/60/14/53/1067601453.db2.gz TVXZQJLWEWYVEH-NFBKMPQASA-N 0 3 463.630 3.442 20 30 JGEDHN CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303310931 1067839618 /nfs/dbraw/zinc/83/96/18/1067839618.db2.gz NKJJQNWJFCUFDE-XIFFEERXSA-N 0 3 472.659 3.196 20 30 JGEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(Br)cn1 ZINC001304846708 1067901743 /nfs/dbraw/zinc/90/17/43/1067901743.db2.gz CAMINEHUVWXPRW-UHFFFAOYSA-N 0 3 483.418 3.220 20 30 JGEDHN CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303384858 1067912817 /nfs/dbraw/zinc/91/28/17/1067912817.db2.gz FQHQFCPTKOZRCT-QHCPKHFHSA-N 0 3 473.691 3.298 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N)N1CCCCC1 ZINC001303663199 1068194446 /nfs/dbraw/zinc/19/44/46/1068194446.db2.gz LRJBYMSJWMNLKN-RBUKOAKNSA-N 0 3 458.632 3.351 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C)N1CCCCC1 ZINC001303663200 1068194521 /nfs/dbraw/zinc/19/45/21/1068194521.db2.gz LRJBYMSJWMNLKN-RTBURBONSA-N 0 3 458.632 3.351 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N1CCCCC1 ZINC001303665188 1068198267 /nfs/dbraw/zinc/19/82/67/1068198267.db2.gz SHYMDULADIVSQX-HSALFYBXSA-N 0 3 472.659 3.339 20 30 JGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N(C)C ZINC001305123780 1068208814 /nfs/dbraw/zinc/20/88/14/1068208814.db2.gz ZEVIAHQYVMJWFW-IEBWSBKVSA-N 0 3 479.658 3.317 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305531217 1068787462 /nfs/dbraw/zinc/78/74/62/1068787462.db2.gz HOMNSRBBMJKJAH-QTGUNEKASA-N 0 3 451.619 3.280 20 30 JGEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)N1CCOCC1 ZINC001305704916 1069091977 /nfs/dbraw/zinc/09/19/77/1069091977.db2.gz OCEWJFKIAWKDKP-DHIUTWEWSA-N 0 3 452.603 3.179 20 30 JGEDHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)C3)O2)CC1 ZINC001164894407 721437333 /nfs/dbraw/zinc/43/73/33/721437333.db2.gz MCNBEIUBMXXVEB-XTEPFMGCSA-N 0 3 475.637 3.492 20 30 JGEDHN N#C[C@H](c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1)c1ccccc1F ZINC001164973368 722127897 /nfs/dbraw/zinc/12/78/97/722127897.db2.gz HDUIEDFQPCMGLI-JLRUASKGSA-N 0 3 458.541 3.393 20 30 JGEDHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 ZINC001298719994 1064531071 /nfs/dbraw/zinc/53/10/71/1064531071.db2.gz LHWPRKXQQGGORX-BHDDXSALSA-N 0 3 470.593 3.197 20 30 JGEDHN C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001300829581 1065559815 /nfs/dbraw/zinc/55/98/15/1065559815.db2.gz IOWDAHMUCPXDIE-UHFFFAOYSA-N 0 3 492.418 3.412 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001300834717 1065570279 /nfs/dbraw/zinc/57/02/79/1065570279.db2.gz VPTZNSAGPDQNND-LJQANCHMSA-N 0 3 475.435 3.079 20 30 JGEDHN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001300944996 1065747508 /nfs/dbraw/zinc/74/75/08/1065747508.db2.gz NENUCVNEBPEXGY-GOSISDBHSA-N 0 3 459.436 3.500 20 30 JGEDHN C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300956252 1065761092 /nfs/dbraw/zinc/76/10/92/1065761092.db2.gz UHFCBKCBTJQVBU-JPYJTQIMSA-N 0 3 472.584 3.102 20 30 JGEDHN C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300972261 1065781867 /nfs/dbraw/zinc/78/18/67/1065781867.db2.gz KKMLWNVRBCNGPD-RPWUZVMVSA-N 0 3 480.657 3.156 20 30 JGEDHN C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300993779 1065811278 /nfs/dbraw/zinc/81/12/78/1065811278.db2.gz GTBLKJUZKUZLGJ-HSZRJFAPSA-N 0 3 470.637 3.205 20 30 JGEDHN C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301019627 1065853930 /nfs/dbraw/zinc/85/39/30/1065853930.db2.gz NQXLOVGPHGGIAI-GOSISDBHSA-N 0 3 480.947 3.042 20 30 JGEDHN C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301050203 1065897845 /nfs/dbraw/zinc/89/78/45/1065897845.db2.gz NCYSZBVSWQLMQD-AUSIDOKSSA-N 0 3 487.048 3.031 20 30 JGEDHN C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301056753 1065908216 /nfs/dbraw/zinc/90/82/16/1065908216.db2.gz JBCKUBPKJAKKDX-UHFFFAOYSA-N 0 3 479.412 3.007 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301209161 1066032722 /nfs/dbraw/zinc/03/27/22/1066032722.db2.gz NNGADKNOPIHRGB-YKSBVNFPSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001301261934 1066077252 /nfs/dbraw/zinc/07/72/52/1066077252.db2.gz LKISWYOPNLCCGH-YTFSRNRJSA-N 0 3 474.694 3.006 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 ZINC001301349970 1066140076 /nfs/dbraw/zinc/14/00/76/1066140076.db2.gz VRSQKPGRVHWIGB-FGZHOGPDSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001301350134 1066140632 /nfs/dbraw/zinc/14/06/32/1066140632.db2.gz WRDXXVLKLDQOHM-NRFANRHFSA-N 0 3 457.644 3.247 20 30 JGEDHN COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301374970 1066168406 /nfs/dbraw/zinc/16/84/06/1066168406.db2.gz OKFACFUKNBQALV-PMACEKPBSA-N 0 3 452.584 3.033 20 30 JGEDHN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301444589 1066255391 /nfs/dbraw/zinc/25/53/91/1066255391.db2.gz PZEXVZDCVSZTBF-UWJYYQICSA-N 0 3 473.021 3.172 20 30 JGEDHN C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301468677 1066292490 /nfs/dbraw/zinc/29/24/90/1066292490.db2.gz JKKOHRHJZPKYTE-QGZVFWFLSA-N 0 3 476.419 3.495 20 30 JGEDHN C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301528473 1066356336 /nfs/dbraw/zinc/35/63/36/1066356336.db2.gz CLWCJGFNHSRZDL-OAQYLSRUSA-N 0 3 466.630 3.149 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)C1 ZINC001301534431 1066361645 /nfs/dbraw/zinc/36/16/45/1066361645.db2.gz APBPGNVGPULXFV-QFIPXVFZSA-N 0 3 487.048 3.375 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1C(C)(C)C ZINC001301596316 1066438487 /nfs/dbraw/zinc/43/84/87/1066438487.db2.gz LECLSWAZMXUPNP-WOJBJXKFSA-N 0 3 451.681 3.267 20 30 JGEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301601721 1066445893 /nfs/dbraw/zinc/44/58/93/1066445893.db2.gz IBTISBODCBTJMX-YKSBVNFPSA-N 0 3 493.681 3.115 20 30 JGEDHN C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301606288 1066451599 /nfs/dbraw/zinc/45/15/99/1066451599.db2.gz MIMILTSKSZHVIO-UHFFFAOYSA-N 0 3 477.704 3.078 20 30 JGEDHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 ZINC001301730930 1066650045 /nfs/dbraw/zinc/65/00/45/1066650045.db2.gz GLGYSHJAFMBUHW-OAQYLSRUSA-N 0 3 489.665 3.101 20 30 JGEDHN CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001302202038 1066697412 /nfs/dbraw/zinc/69/74/12/1066697412.db2.gz BJIOHSLCNRKDGY-OAQYLSRUSA-N 0 3 452.603 3.180 20 30 JGEDHN CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302448710 1067047731 /nfs/dbraw/zinc/04/77/31/1067047731.db2.gz YNBYLLBIYXBMAS-UHFFFAOYSA-N 0 3 470.643 3.096 20 30 JGEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001302664748 1067292064 /nfs/dbraw/zinc/29/20/64/1067292064.db2.gz LGZKTCISMQDJNF-UHFFFAOYSA-N 0 3 451.619 3.290 20 30 JGEDHN CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302708904 1067330439 /nfs/dbraw/zinc/33/04/39/1067330439.db2.gz FQRGUWURRSGHML-NRFANRHFSA-N 0 3 483.686 3.087 20 30 JGEDHN N#Cc1ccc(CN2CCCN(c3nnc([C@@H]4CCCOC4)n3CCCCCCO)CC2)cc1 ZINC001302991400 1067552644 /nfs/dbraw/zinc/55/26/44/1067552644.db2.gz HSXVYMMALUTJAJ-XMMPIXPASA-N 0 3 466.630 3.309 20 30 JGEDHN Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3)N(C)C)CC2)c1C#N ZINC001304731581 1067804516 /nfs/dbraw/zinc/80/45/16/1067804516.db2.gz QRDLMKCBEIUUTQ-QHCPKHFHSA-N 0 3 475.645 3.020 20 30 JGEDHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)C2)CC1 ZINC001303316806 1067844492 /nfs/dbraw/zinc/84/44/92/1067844492.db2.gz JQSIHZLQCHXMPQ-NRFANRHFSA-N 0 3 457.573 3.467 20 30 JGEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCOCC1CCOCC1 ZINC001304847942 1067902546 /nfs/dbraw/zinc/90/25/46/1067902546.db2.gz UCGPLCBRSLFEND-UHFFFAOYSA-N 0 3 452.603 3.004 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303636171 1068164462 /nfs/dbraw/zinc/16/44/62/1068164462.db2.gz LQPNGFWTRYATJO-HNAYVOBHSA-N 0 3 453.522 3.186 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303636173 1068164471 /nfs/dbraw/zinc/16/44/71/1068164471.db2.gz LQPNGFWTRYATJO-KXBFYZLASA-N 0 3 453.522 3.186 20 30 JGEDHN C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCCCC1 ZINC001303665159 1068198250 /nfs/dbraw/zinc/19/82/50/1068198250.db2.gz SHYMDULADIVSQX-AABGKKOBSA-N 0 3 472.659 3.339 20 30 JGEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C ZINC001305123781 1068208671 /nfs/dbraw/zinc/20/86/71/1068208671.db2.gz ZEVIAHQYVMJWFW-MJGOQNOKSA-N 0 3 479.658 3.317 20 30 JGEDHN C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305229263 1068374123 /nfs/dbraw/zinc/37/41/23/1068374123.db2.gz QQLDXEFUKURHOF-CTNGQTDRSA-N 0 3 452.603 3.322 20 30 JGEDHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305324722 1068545201 /nfs/dbraw/zinc/54/52/01/1068545201.db2.gz SXFAKTFLXJCWGG-JIPXPUAJSA-N 0 3 490.656 3.411 20 30 JGEDHN CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305380149 1068632326 /nfs/dbraw/zinc/63/23/26/1068632326.db2.gz JMFPANOIVBZYEQ-DENIHFKCSA-N 0 3 451.619 3.242 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305531215 1068787391 /nfs/dbraw/zinc/78/73/91/1068787391.db2.gz HOMNSRBBMJKJAH-AVCGJXAMSA-N 0 3 451.619 3.280 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305531216 1068787431 /nfs/dbraw/zinc/78/74/31/1068787431.db2.gz HOMNSRBBMJKJAH-HARLFGEKSA-N 0 3 451.619 3.280 20 30 JGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766383 721140299 /nfs/dbraw/zinc/14/02/99/721140299.db2.gz KXRNGJHAACOPHN-WMZOPIPTSA-N 0 3 451.937 3.500 20 30 JGEDHN COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C=N[O-])CC2 ZINC001164790581 721455306 /nfs/dbraw/zinc/45/53/06/721455306.db2.gz ZUCRVRYZAQLBON-KRWDZBQOSA-N 0 3 484.066 3.394 20 30 JGEDHN COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C=N[O-])CC2 ZINC001164790581 721455307 /nfs/dbraw/zinc/45/53/07/721455307.db2.gz ZUCRVRYZAQLBON-KRWDZBQOSA-N 0 3 484.066 3.394 20 30 JGEDHN N#C[C@H](c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1)c1ccccc1F ZINC001164973398 722127810 /nfs/dbraw/zinc/12/78/10/722127810.db2.gz HDUIEDFQPCMGLI-UWDQQESISA-N 0 3 458.541 3.393 20 30 JGEDHN CN1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001298897116 1064703941 /nfs/dbraw/zinc/70/39/41/1064703941.db2.gz LKAQORUMAKPLQT-VWLOTQADSA-N 0 3 453.610 3.164 20 30 JGEDHN CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299072117 1064872503 /nfs/dbraw/zinc/87/25/03/1064872503.db2.gz AOCIVSHTBJKRBO-PMACEKPBSA-N 0 3 463.611 3.144 20 30 JGEDHN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001300817251 1065545902 /nfs/dbraw/zinc/54/59/02/1065545902.db2.gz FDXCWJVGBGZMPR-UMTXDNHDSA-N 0 3 499.704 3.368 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300834262 1065568467 /nfs/dbraw/zinc/56/84/67/1065568467.db2.gz NFCJJYGSGGRQNH-KRWDZBQOSA-N 0 3 492.418 3.029 20 30 JGEDHN C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001300834715 1065570211 /nfs/dbraw/zinc/57/02/11/1065570211.db2.gz VPTZNSAGPDQNND-IBGZPJMESA-N 0 3 475.435 3.079 20 30 JGEDHN C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001300852841 1065598367 /nfs/dbraw/zinc/59/83/67/1065598367.db2.gz DUAYOTIVRMBHKP-SFHVURJKSA-N 0 3 465.465 3.055 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300873589 1065650325 /nfs/dbraw/zinc/65/03/25/1065650325.db2.gz KFNJQFHIAUQACG-UNMCSNQZSA-N 0 3 481.645 3.465 20 30 JGEDHN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300945227 1065748119 /nfs/dbraw/zinc/74/81/19/1065748119.db2.gz YCJJETTUSHNVIZ-UHFFFAOYSA-N 0 3 475.435 3.274 20 30 JGEDHN C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300950396 1065753594 /nfs/dbraw/zinc/75/35/94/1065753594.db2.gz CIXQNJPEKXRMCL-NHCUHLMSSA-N 0 3 474.650 3.127 20 30 JGEDHN C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001300956251 1065760962 /nfs/dbraw/zinc/76/09/62/1065760962.db2.gz UHFCBKCBTJQVBU-FDDCHVKYSA-N 0 3 472.584 3.102 20 30 JGEDHN C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301000303 1065823013 /nfs/dbraw/zinc/82/30/13/1065823013.db2.gz QLQRYBKHKRRGNY-JOCHJYFZSA-N 0 3 469.630 3.448 20 30 JGEDHN C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301020201 1065854536 /nfs/dbraw/zinc/85/45/36/1065854536.db2.gz VNLZTPUVCHKMKN-UHFFFAOYSA-N 0 3 477.993 3.024 20 30 JGEDHN C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001301052085 1065900423 /nfs/dbraw/zinc/90/04/23/1065900423.db2.gz VGBILZWBGRCTHT-UHFFFAOYSA-N 0 3 483.064 3.146 20 30 JGEDHN C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301145843 1065982627 /nfs/dbraw/zinc/98/26/27/1065982627.db2.gz IUTAMNWEIVGUFT-UHFFFAOYSA-N 0 3 466.630 3.300 20 30 JGEDHN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301444588 1066255221 /nfs/dbraw/zinc/25/52/21/1066255221.db2.gz PZEXVZDCVSZTBF-UTKZUKDTSA-N 0 3 473.021 3.172 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001301965305 1066269654 /nfs/dbraw/zinc/26/96/54/1066269654.db2.gz IXZRGXFXUMZEDG-UTKZUKDTSA-N 0 3 498.632 3.276 20 30 JGEDHN C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301472845 1066297146 /nfs/dbraw/zinc/29/71/46/1066297146.db2.gz SVZDGSOCPLZBRZ-UHFFFAOYSA-N 0 3 461.035 3.154 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(C2CCCC2)CC1 ZINC001301578192 1066410318 /nfs/dbraw/zinc/41/03/18/1066410318.db2.gz TZSWFMQVYASSST-UHFFFAOYSA-N 0 3 457.644 3.309 20 30 JGEDHN C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001301578116 1066410328 /nfs/dbraw/zinc/41/03/28/1066410328.db2.gz YHEXAVUBYWNEKY-NRFANRHFSA-N 0 3 475.659 3.396 20 30 JGEDHN C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001301610272 1066457544 /nfs/dbraw/zinc/45/75/44/1066457544.db2.gz UUBUENDPOWRQKR-UHFFFAOYSA-N 0 3 481.670 3.372 20 30 JGEDHN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC(=O)NC1CC1 ZINC001302079200 1066493836 /nfs/dbraw/zinc/49/38/36/1066493836.db2.gz IXAHOPZHDUCENF-UHFFFAOYSA-N 0 3 463.630 3.218 20 30 JGEDHN CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001302326140 1066926780 /nfs/dbraw/zinc/92/67/80/1066926780.db2.gz JLRDCYAYLILICI-ZCWHBTPQSA-N 0 3 484.670 3.341 20 30 JGEDHN CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001302326137 1066926846 /nfs/dbraw/zinc/92/68/46/1066926846.db2.gz JLRDCYAYLILICI-IFXFPORBSA-N 0 3 484.670 3.341 20 30 JGEDHN CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302548465 1067184689 /nfs/dbraw/zinc/18/46/89/1067184689.db2.gz PFJYBJQSJXIMDW-DENIHFKCSA-N 0 3 453.660 3.173 20 30 JGEDHN CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303066063 1067601559 /nfs/dbraw/zinc/60/15/59/1067601559.db2.gz TVXZQJLWEWYVEH-NZQKXSOJSA-N 0 3 463.630 3.442 20 30 JGEDHN C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304941745 1067992403 /nfs/dbraw/zinc/99/24/03/1067992403.db2.gz LJQQRWPGPSQCLL-CTNGQTDRSA-N 0 3 452.603 3.464 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303627394 1068157051 /nfs/dbraw/zinc/15/70/51/1068157051.db2.gz JRSDLDXUMIJDFA-AUSIDOKSSA-N 0 3 489.628 3.016 20 30 JGEDHN C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001303635549 1068163836 /nfs/dbraw/zinc/16/38/36/1068163836.db2.gz AOTCRNJFCQJRGF-ZJSXRUAMSA-N 0 3 459.598 3.293 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001303635548 1068163854 /nfs/dbraw/zinc/16/38/54/1068163854.db2.gz AOTCRNJFCQJRGF-XUZZJYLKSA-N 0 3 459.598 3.293 20 30 JGEDHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305324720 1068545150 /nfs/dbraw/zinc/54/51/50/1068545150.db2.gz SXFAKTFLXJCWGG-IDISGSTGSA-N 0 3 490.656 3.411 20 30 JGEDHN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001303916472 1068568216 /nfs/dbraw/zinc/56/82/16/1068568216.db2.gz IZZNSSBPNZNRPI-OALUTQOASA-N 0 3 457.598 3.322 20 30 JGEDHN CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305531218 1068787416 /nfs/dbraw/zinc/78/74/16/1068787416.db2.gz HOMNSRBBMJKJAH-ZEYPLWLESA-N 0 3 451.619 3.280 20 30 JGEDHN CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1)N1CCOCC1 ZINC001305705181 1069092820 /nfs/dbraw/zinc/09/28/20/1069092820.db2.gz OOGXKJCIEOLUGP-JOCHJYFZSA-N 0 3 452.603 3.179 20 30 JGEDHN CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1)N1CCOCC1 ZINC001305706599 1069095818 /nfs/dbraw/zinc/09/58/18/1069095818.db2.gz WOGYTTJEERGHJR-DEOSSOPVSA-N 0 3 493.656 3.012 20 30 JGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766382 721139895 /nfs/dbraw/zinc/13/98/95/721139895.db2.gz KXRNGJHAACOPHN-SJLPKXTDSA-N 0 3 451.937 3.500 20 30 JGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766380 721139996 /nfs/dbraw/zinc/13/99/96/721139996.db2.gz KXRNGJHAACOPHN-AEFFLSMTSA-N 0 3 451.937 3.500 20 30 JGEDHN Cc1nc(CN2CCO[C@@H]3CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC[C@H]32)cs1 ZINC001164986222 722186006 /nfs/dbraw/zinc/18/60/06/722186006.db2.gz DRLRCUAMJQRHPJ-XUVXKRRUSA-N 0 3 484.626 3.060 20 30 JGEDHN CN(CCCN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1)Cc1ccncc1 ZINC001298846707 1064650458 /nfs/dbraw/zinc/65/04/58/1064650458.db2.gz OXXJCKBGNZKJCN-UHFFFAOYSA-N 0 3 456.388 3.132 20 30 JGEDHN CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299072132 1064872533 /nfs/dbraw/zinc/87/25/33/1064872533.db2.gz AOCIVSHTBJKRBO-WOJBJXKFSA-N 0 3 463.611 3.144 20 30 JGEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001300889798 1065677733 /nfs/dbraw/zinc/67/77/33/1065677733.db2.gz RGCJSRCFXMMWCX-IGKIAQTJSA-N 0 3 494.684 3.149 20 30 JGEDHN C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001300915165 1065715070 /nfs/dbraw/zinc/71/50/70/1065715070.db2.gz IPUNATSSFSYPDF-URXFXBBRSA-N 0 3 468.646 3.467 20 30 JGEDHN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001300935283 1065737116 /nfs/dbraw/zinc/73/71/16/1065737116.db2.gz PIRXCEITDMEWJB-UHFFFAOYSA-N 0 3 471.602 3.096 20 30 JGEDHN C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001300956253 1065760898 /nfs/dbraw/zinc/76/08/98/1065760898.db2.gz UHFCBKCBTJQVBU-MBSDFSHPSA-N 0 3 472.584 3.102 20 30 JGEDHN C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300972259 1065781540 /nfs/dbraw/zinc/78/15/40/1065781540.db2.gz KKMLWNVRBCNGPD-DNQXCXABSA-N 0 3 480.657 3.156 20 30 JGEDHN C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300980737 1065791291 /nfs/dbraw/zinc/79/12/91/1065791291.db2.gz MKPGLRYWRRSZIT-HSZRJFAPSA-N 0 3 468.646 3.151 20 30 JGEDHN C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001300991347 1065806958 /nfs/dbraw/zinc/80/69/58/1065806958.db2.gz RCKSIOPAYMDELJ-HKBOAZHASA-N 0 3 492.665 3.098 20 30 JGEDHN C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301055573 1065906439 /nfs/dbraw/zinc/90/64/39/1065906439.db2.gz MPXFJTNLQBKART-HXUWFJFHSA-N 0 3 475.062 3.374 20 30 JGEDHN C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC001301106142 1065952851 /nfs/dbraw/zinc/95/28/51/1065952851.db2.gz QPCPDJGKCPTSCE-AUSIDOKSSA-N 0 3 486.686 3.128 20 30 JGEDHN C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301143265 1065981243 /nfs/dbraw/zinc/98/12/43/1065981243.db2.gz GUDQKAALZPNQOS-QFIPXVFZSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301209159 1066032768 /nfs/dbraw/zinc/03/27/68/1066032768.db2.gz NNGADKNOPIHRGB-HYBUGGRVSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301209160 1066032963 /nfs/dbraw/zinc/03/29/63/1066032963.db2.gz NNGADKNOPIHRGB-RDPSFJRHSA-N 0 3 466.630 3.299 20 30 JGEDHN C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001301259564 1066073997 /nfs/dbraw/zinc/07/39/97/1066073997.db2.gz KVIILARJRWZZOS-HXUWFJFHSA-N 0 3 457.594 3.290 20 30 JGEDHN C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC001301297181 1066102174 /nfs/dbraw/zinc/10/21/74/1066102174.db2.gz MXCHTEGFTIVYPK-VXKWHMMOSA-N 0 3 457.644 3.105 20 30 JGEDHN C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301305461 1066109199 /nfs/dbraw/zinc/10/91/99/1066109199.db2.gz YSOAGXOICULTIK-OAQYLSRUSA-N 0 3 480.638 3.183 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C)C(C)(C)C1 ZINC001301956562 1066261253 /nfs/dbraw/zinc/26/12/53/1066261253.db2.gz KPWJJNDAYNXHOC-MRXNPFEDSA-N 0 3 492.441 3.469 20 30 JGEDHN C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301973108 1066279284 /nfs/dbraw/zinc/27/92/84/1066279284.db2.gz AJJOVFFZKCETFI-ZJSXRUAMSA-N 0 3 459.598 3.151 20 30 JGEDHN C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301973107 1066279470 /nfs/dbraw/zinc/27/94/70/1066279470.db2.gz AJJOVFFZKCETFI-XUZZJYLKSA-N 0 3 459.598 3.151 20 30 JGEDHN C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)CC1 ZINC001301485259 1066308229 /nfs/dbraw/zinc/30/82/29/1066308229.db2.gz UFMJMFBDTUBXAJ-UHFFFAOYSA-N 0 3 456.660 3.356 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CC)C1 ZINC001301534427 1066361690 /nfs/dbraw/zinc/36/16/90/1066361690.db2.gz AMSFAUASFPJXRN-YADHBBJMSA-N 0 3 452.603 3.413 20 30 JGEDHN C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301538911 1066367018 /nfs/dbraw/zinc/36/70/18/1066367018.db2.gz MDYUUCAMDLPDAS-RTWAWAEBSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301539354 1066367426 /nfs/dbraw/zinc/36/74/26/1066367426.db2.gz RAKNHQRXJAVBNE-NZQKXSOJSA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301539353 1066367763 /nfs/dbraw/zinc/36/77/63/1066367763.db2.gz RAKNHQRXJAVBNE-NFBKMPQASA-N 0 3 486.636 3.365 20 30 JGEDHN C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001301597744 1066441384 /nfs/dbraw/zinc/44/13/84/1066441384.db2.gz YSIWRBXJLTYRCA-GOSISDBHSA-N 0 3 494.507 3.171 20 30 JGEDHN C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301610980 1066458723 /nfs/dbraw/zinc/45/87/23/1066458723.db2.gz BDTPCBNXSQBDBV-UHFFFAOYSA-N 0 3 459.635 3.476 20 30 JGEDHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)N(C)C)cc1 ZINC001304278537 1067318173 /nfs/dbraw/zinc/31/81/73/1067318173.db2.gz MIUVBTLRRQXGJY-AZUAARDMSA-N 0 3 465.627 3.477 20 30 JGEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 ZINC001303199062 1067734909 /nfs/dbraw/zinc/73/49/09/1067734909.db2.gz UBYNHOMVKDXBQI-UHFFFAOYSA-N 0 3 466.508 3.433 20 30 JGEDHN CC1CCC(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CC2)CC1 ZINC001304981058 1068020891 /nfs/dbraw/zinc/02/08/91/1068020891.db2.gz XZSMTLLCWALVCO-UHFFFAOYSA-N 0 3 493.656 3.298 20 30 JGEDHN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147719 1068250118 /nfs/dbraw/zinc/25/01/18/1068250118.db2.gz FCBOBIUHDQOEQC-DENIHFKCSA-N 0 3 477.613 3.428 20 30 JGEDHN CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001305307852 1068515801 /nfs/dbraw/zinc/51/58/01/1068515801.db2.gz UUVDHESAFXIMSG-SANMLTNESA-N 0 3 459.598 3.009 20 30 JGEDHN CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001305307851 1068515989 /nfs/dbraw/zinc/51/59/89/1068515989.db2.gz UUVDHESAFXIMSG-AREMUKBSSA-N 0 3 459.598 3.009 20 30 JGEDHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303896056 1068534857 /nfs/dbraw/zinc/53/48/57/1068534857.db2.gz WJUPMBOAHIHNNW-LJQANCHMSA-N 0 3 469.609 3.323 20 30 JGEDHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303896055 1068534883 /nfs/dbraw/zinc/53/48/83/1068534883.db2.gz WJUPMBOAHIHNNW-IBGZPJMESA-N 0 3 469.609 3.323 20 30 JGEDHN CNC(=O)CN1CCCC12CCN(c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164683539 719732081 /nfs/dbraw/zinc/73/20/81/719732081.db2.gz AKWWKTARIAZWOV-UHFFFAOYSA-N 0 3 483.733 3.476 20 30 JGEDHN COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C=N[O-])CC2 ZINC001164790582 721455266 /nfs/dbraw/zinc/45/52/66/721455266.db2.gz ZUCRVRYZAQLBON-QGZVFWFLSA-N 0 3 484.066 3.394 20 30 JGEDHN COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C=N[O-])CC2 ZINC001164790582 721455267 /nfs/dbraw/zinc/45/52/67/721455267.db2.gz ZUCRVRYZAQLBON-QGZVFWFLSA-N 0 3 484.066 3.394 20 30 JGEDHN