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/nfs/dbraw/zinc/98/37/48/892983748.db2.gz FHTYHARVFSJVCX-SSDOTTSWSA-N 0 0 283.288 -1.461 20 30 CAEDRN CCN1CCOC[C@H]1C(=O)NC[C@@H](CO)NCC#N ZINC001486010225 892983927 /nfs/dbraw/zinc/98/39/27/892983927.db2.gz HKXDAQNVIOHBJN-QWRGUYRKSA-N 0 0 270.333 -1.703 20 30 CAEDRN Cn1cnn(CCC(=O)NC[C@H](CO)NCC#N)c1=O ZINC001486020067 892988417 /nfs/dbraw/zinc/98/84/17/892988417.db2.gz SAYVXFNPNCQUHZ-SECBINFHSA-N 0 0 282.304 -2.438 20 30 CAEDRN Cc1nn(C)c(=O)c(C(=O)NC[C@@H](CO)NCC#N)c1C ZINC001486021435 892988445 /nfs/dbraw/zinc/98/84/45/892988445.db2.gz MTVIEQJSFYPLOF-JTQLQIEISA-N 0 0 293.327 -1.399 20 30 CAEDRN C#CCNC(=O)CN[C@@H](CO)CNC(=O)C(N)=O ZINC001486030202 892990645 /nfs/dbraw/zinc/99/06/45/892990645.db2.gz HMXTXWUQJURCEY-SSDOTTSWSA-N 0 0 256.262 -3.712 20 30 CAEDRN C#CCNC(=O)CN[C@H](CO)CNC(=O)C(N)=O ZINC001486030213 892991536 /nfs/dbraw/zinc/99/15/36/892991536.db2.gz HMXTXWUQJURCEY-ZETCQYMHSA-N 0 0 256.262 -3.712 20 30 CAEDRN Cn1ncc(CCC(=O)NC[C@H](CO)NCC#N)n1 ZINC001486034415 892993744 /nfs/dbraw/zinc/99/37/44/892993744.db2.gz QPIUQNOMJPCGPQ-SNVBAGLBSA-N 0 0 266.305 -1.662 20 30 CAEDRN Cn1cncc1CCC(=O)NC[C@@H](CO)NCC#N ZINC001486057707 893003779 /nfs/dbraw/zinc/00/37/79/893003779.db2.gz PZUILCFPNLDAER-JTQLQIEISA-N 0 0 265.317 -1.057 20 30 CAEDRN N#CCN[C@H](CO)CNC(=O)Cc1nc2ncccn2n1 ZINC001486060826 893007927 /nfs/dbraw/zinc/00/79/27/893007927.db2.gz CABTWYDOZYGHOR-VIFPVBQESA-N 0 0 289.299 -1.743 20 30 CAEDRN Cc1ccnc2nc(C(=O)NC[C@@H](CO)NCC#N)nn21 ZINC001486059592 893009739 /nfs/dbraw/zinc/00/97/39/893009739.db2.gz SBNKRRBNMWHDPP-VIFPVBQESA-N 0 0 289.299 -1.363 20 30 CAEDRN C=CCNC(=O)CN1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001486179751 893019163 /nfs/dbraw/zinc/01/91/63/893019163.db2.gz JUSBBVTXUPIKQP-UWVGGRQHSA-N 0 0 282.344 -1.257 20 30 CAEDRN C=CCNC(=O)CN1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC001486179753 893019945 /nfs/dbraw/zinc/01/99/45/893019945.db2.gz JUSBBVTXUPIKQP-VHSXEESVSA-N 0 0 282.344 -1.257 20 30 CAEDRN CN(C[C@@H](O)CNCC#N)C(=O)Cc1ccn(C)n1 ZINC001486276629 893031560 /nfs/dbraw/zinc/03/15/60/893031560.db2.gz NDWFIUFEUXAVMN-NSHDSACASA-N 0 0 265.317 -1.105 20 30 CAEDRN CN(C[C@H](O)CNCC#N)C(=O)Cc1ccn(C)n1 ZINC001486276628 893033523 /nfs/dbraw/zinc/03/35/23/893033523.db2.gz NDWFIUFEUXAVMN-LLVKDONJSA-N 0 0 265.317 -1.105 20 30 CAEDRN CN(C[C@H](O)CNCC#N)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001486279747 893034606 /nfs/dbraw/zinc/03/46/06/893034606.db2.gz BQBJIFFGGULDMS-SFYZADRCSA-N 0 0 283.288 -2.483 20 30 CAEDRN CN(C[C@@H](O)CNCC#N)C(=O)[C@H]1CCN(C)C1=O ZINC001486297731 893038577 /nfs/dbraw/zinc/03/85/77/893038577.db2.gz YFPZQISQCNVZCF-UWVGGRQHSA-N 0 0 268.317 -1.603 20 30 CAEDRN C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001486315126 893044174 /nfs/dbraw/zinc/04/41/74/893044174.db2.gz SKLJVSDMPGIBMB-VIFPVBQESA-N 0 0 299.331 -1.326 20 30 CAEDRN CN(C[C@@H](O)CNCC#N)C(=O)CN1C(=O)CNC1=O ZINC001486314599 893044230 /nfs/dbraw/zinc/04/42/30/893044230.db2.gz BNVOJRZTSRLORL-QMMMGPOBSA-N 0 0 283.288 -2.529 20 30 CAEDRN CN(C[C@H](O)CNCC#N)C(=O)[C@H]1CCc2nncn2C1 ZINC001486317909 893048889 /nfs/dbraw/zinc/04/88/89/893048889.db2.gz NGZZZZZDWVZVCR-WDEREUQCSA-N 0 0 292.343 -1.227 20 30 CAEDRN C#CCNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)COC ZINC001486321361 893051449 /nfs/dbraw/zinc/05/14/49/893051449.db2.gz IEOZGGTWTUJQFK-NWDGAFQWSA-N 0 0 299.371 -1.478 20 30 CAEDRN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CN(C)CC#N ZINC001486330107 893052305 /nfs/dbraw/zinc/05/23/05/893052305.db2.gz ISXSYQAWYUPNHL-IUCAKERBSA-N 0 0 271.321 -1.682 20 30 CAEDRN C#CCNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)COC ZINC001486321362 893053105 /nfs/dbraw/zinc/05/31/05/893053105.db2.gz IEOZGGTWTUJQFK-RYUDHWBXSA-N 0 0 299.371 -1.478 20 30 CAEDRN CN(CC#N)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001486324030 893053293 /nfs/dbraw/zinc/05/32/93/893053293.db2.gz GTFTZJXAYOORCX-LLVKDONJSA-N 0 0 282.344 -1.117 20 30 CAEDRN Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CNCC#N)no1 ZINC001486316532 893054925 /nfs/dbraw/zinc/05/49/25/893054925.db2.gz CYHQXDWTOBKLQR-SECBINFHSA-N 0 0 295.299 -1.146 20 30 CAEDRN CN(CC#N)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001486340999 893055946 /nfs/dbraw/zinc/05/59/46/893055946.db2.gz MXANXIFMXIXQDF-VIFPVBQESA-N 0 0 270.333 -1.227 20 30 CAEDRN C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486339257 893058628 /nfs/dbraw/zinc/05/86/28/893058628.db2.gz RSJIDNVCJAEAMP-QMMMGPOBSA-N 0 0 297.315 -1.167 20 30 CAEDRN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001486333472 893058773 /nfs/dbraw/zinc/05/87/73/893058773.db2.gz MBSGISQRHRIGMA-JTQLQIEISA-N 0 0 293.327 -1.264 20 30 CAEDRN CN(CC#N)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001486353393 893059596 /nfs/dbraw/zinc/05/95/96/893059596.db2.gz CVAPILCKMDRBHL-VIFPVBQESA-N 0 0 266.305 -1.297 20 30 CAEDRN C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001486339256 893060803 /nfs/dbraw/zinc/06/08/03/893060803.db2.gz RSJIDNVCJAEAMP-MRVPVSSYSA-N 0 0 297.315 -1.167 20 30 CAEDRN CN(CC#N)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001486350491 893060983 /nfs/dbraw/zinc/06/09/83/893060983.db2.gz JPZSPBDIPQHGTF-IUCAKERBSA-N 0 0 297.315 -2.141 20 30 CAEDRN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001486333949 893061114 /nfs/dbraw/zinc/06/11/14/893061114.db2.gz GFZQIOTYNZOGQP-NSHDSACASA-N 0 0 267.329 -1.364 20 30 CAEDRN CCN1CCO[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC#N)C1 ZINC001486359433 893068416 /nfs/dbraw/zinc/06/84/16/893068416.db2.gz WFZIIOAYPFUIBZ-STQMWFEESA-N 0 0 298.387 -1.018 20 30 CAEDRN CCN1CCO[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC#N)C1 ZINC001486359430 893070325 /nfs/dbraw/zinc/07/03/25/893070325.db2.gz WFZIIOAYPFUIBZ-CHWSQXEVSA-N 0 0 298.387 -1.018 20 30 CAEDRN CN(CCOCCNCC#N)C(=O)[C@@H]1COCCO1 ZINC001486492084 893072142 /nfs/dbraw/zinc/07/21/42/893072142.db2.gz MTFDQKXSNSCVNC-NSHDSACASA-N 0 0 271.317 -1.010 20 30 CAEDRN N#CCN1CC=C(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001486510140 893074135 /nfs/dbraw/zinc/07/41/35/893074135.db2.gz JPHOVQBHWRSCSR-JTQLQIEISA-N 0 0 291.311 -1.144 20 30 CAEDRN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O ZINC001486868229 893081722 /nfs/dbraw/zinc/08/17/22/893081722.db2.gz KAFRDSNKMZXHNL-UWVGGRQHSA-N 0 0 283.328 -1.137 20 30 CAEDRN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O ZINC001486868230 893082385 /nfs/dbraw/zinc/08/23/85/893082385.db2.gz KAFRDSNKMZXHNL-VHSXEESVSA-N 0 0 283.328 -1.137 20 30 CAEDRN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O ZINC001486868226 893082509 /nfs/dbraw/zinc/08/25/09/893082509.db2.gz KAFRDSNKMZXHNL-NXEZZACHSA-N 0 0 283.328 -1.137 20 30 CAEDRN C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)CSCC#N ZINC001486978007 893083046 /nfs/dbraw/zinc/08/30/46/893083046.db2.gz HARMQBJBKVIYKD-ZETCQYMHSA-N 0 0 272.330 -1.308 20 30 CAEDRN C[C@H](C#N)C(=O)N1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001487045075 893087975 /nfs/dbraw/zinc/08/79/75/893087975.db2.gz BRZULAPPBXHEGH-SSDOTTSWSA-N 0 0 268.273 -2.289 20 30 CAEDRN C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001487216297 893088724 /nfs/dbraw/zinc/08/87/24/893088724.db2.gz RXYJTVRWTOXBCH-RQJHMYQMSA-N 0 0 252.274 -1.406 20 30 CAEDRN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001487418958 893092582 /nfs/dbraw/zinc/09/25/82/893092582.db2.gz RJCODQSSENGRQG-JRKPZEMJSA-N 0 0 283.328 -1.190 20 30 CAEDRN CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001487356178 893093835 /nfs/dbraw/zinc/09/38/35/893093835.db2.gz YEANGEAKWOUBGN-QWRGUYRKSA-N 0 0 295.339 -1.137 20 30 CAEDRN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001487450735 893094624 /nfs/dbraw/zinc/09/46/24/893094624.db2.gz RZSBXBXVZHXBGC-BWZBUEFSSA-N 0 0 252.274 -1.358 20 30 CAEDRN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001487450239 893095211 /nfs/dbraw/zinc/09/52/11/893095211.db2.gz NAORNHKDTBPVDS-AATLWQCWSA-N 0 0 293.327 -1.162 20 30 CAEDRN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001487450243 893096566 /nfs/dbraw/zinc/09/65/66/893096566.db2.gz NAORNHKDTBPVDS-ZYUZMQFOSA-N 0 0 293.327 -1.162 20 30 CAEDRN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001487450241 893097402 /nfs/dbraw/zinc/09/74/02/893097402.db2.gz NAORNHKDTBPVDS-XKNYDFJKSA-N 0 0 293.327 -1.162 20 30 CAEDRN C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001487785874 893102960 /nfs/dbraw/zinc/10/29/60/893102960.db2.gz HHYBDMGDISUODG-JTQLQIEISA-N 0 0 296.331 -1.161 20 30 CAEDRN C=CCn1cc(C(=O)N[C@@H](CO)CNC(C)=O)nn1 ZINC001487925247 893108725 /nfs/dbraw/zinc/10/87/25/893108725.db2.gz ZUPSOMMSKJITCZ-SECBINFHSA-N 0 0 267.289 -1.309 20 30 CAEDRN COCC(=O)NC[C@H](CO)NC(=O)c1cc(C#N)c[nH]1 ZINC001487929489 893111096 /nfs/dbraw/zinc/11/10/96/893111096.db2.gz WWHRZIORSGCAEY-SECBINFHSA-N 0 0 280.284 -1.260 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)COC ZINC001487928422 893111228 /nfs/dbraw/zinc/11/12/28/893111228.db2.gz AYGKSQOFGMDPBE-CABZTGNLSA-N 0 0 274.317 -1.447 20 30 CAEDRN C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)COC ZINC001487928423 893111426 /nfs/dbraw/zinc/11/14/26/893111426.db2.gz AYGKSQOFGMDPBE-JOYOIKCWSA-N 0 0 274.317 -1.447 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)COC 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/nfs/dbraw/zinc/25/81/77/582258177.db2.gz BIUZENANGPFXGI-GZMMTYOYSA-N 0 0 256.258 -1.129 20 30 CAEDRN CON=CC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000871407940 582258198 /nfs/dbraw/zinc/25/81/98/582258198.db2.gz OVAYWNPRDADKJG-SNVBAGLBSA-N 0 0 257.246 -1.044 20 30 CAEDRN C=C[C@](C)(O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000871531997 582258530 /nfs/dbraw/zinc/25/85/30/582258530.db2.gz QPTDDZHABUYAJP-SXMVTHIZSA-N 0 0 252.270 -1.003 20 30 CAEDRN C=C[C@@H](NC[C@]12COCCN1C(=O)COC2)C(=O)OC ZINC000871920346 582258664 /nfs/dbraw/zinc/25/86/64/582258664.db2.gz CFTBALCJTVVPRG-ZWNOBZJWSA-N 0 0 284.312 -1.069 20 30 CAEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000871738864 582258675 /nfs/dbraw/zinc/25/86/75/582258675.db2.gz WGLPVUXJLXCECE-UHFFFAOYSA-N 0 0 274.346 -1.247 20 30 CAEDRN C#CCNC(=O)CCN1CC(NS(C)(=O)=O)C1 ZINC000871984714 582258793 /nfs/dbraw/zinc/25/87/93/582258793.db2.gz FFVPTZPXNQASRH-UHFFFAOYSA-N 0 0 259.331 -1.641 20 30 CAEDRN COC(=O)C1(O)CN(C[C@H](O)CN(C)CCC#N)C1 ZINC000871992131 582258815 /nfs/dbraw/zinc/25/88/15/582258815.db2.gz RXYPWOZTFWNRBN-SNVBAGLBSA-N 0 0 271.317 -1.588 20 30 CAEDRN C#CCN(C)C(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000872995883 582259626 /nfs/dbraw/zinc/25/96/26/582259626.db2.gz JODFRDZKUZRIIC-LJQANCHMSA-N 0 0 286.357 -1.186 20 30 CAEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000874342688 582260012 /nfs/dbraw/zinc/26/00/12/582260012.db2.gz GRWSSZRWGUFLHE-TXEJJXNPSA-N 0 0 279.340 -1.349 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N(C)C[C@@H](C)O ZINC000875604574 582261624 /nfs/dbraw/zinc/26/16/24/582261624.db2.gz PTNVOZFPQHJBIP-NXEZZACHSA-N 0 0 256.302 -1.020 20 30 CAEDRN C=CCOCC(=O)N(CC(=O)NC)CC(=O)NC ZINC000874897672 582260800 /nfs/dbraw/zinc/26/08/00/582260800.db2.gz PJKVNJLGHSCATD-UHFFFAOYSA-N 0 0 257.290 -1.490 20 30 CAEDRN C=C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)NC)CC(=O)NC ZINC000874898993 582260923 /nfs/dbraw/zinc/26/09/23/582260923.db2.gz FJGLUCQZUYSVNE-ZJUUUORDSA-N 0 0 283.328 -1.102 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000875212646 582260980 /nfs/dbraw/zinc/26/09/80/582260980.db2.gz AMZRFSWOAGQBPX-MNOVXSKESA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000875212645 582261048 /nfs/dbraw/zinc/26/10/48/582261048.db2.gz AMZRFSWOAGQBPX-GHMZBOCLSA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000875212647 582261070 /nfs/dbraw/zinc/26/10/70/582261070.db2.gz AMZRFSWOAGQBPX-QWRGUYRKSA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CCCCNC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000875240099 582261180 /nfs/dbraw/zinc/26/11/80/582261180.db2.gz PVPJMEYDKLIXAH-LLVKDONJSA-N 0 0 267.329 -1.037 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1COCCN1C ZINC000875545817 582261291 /nfs/dbraw/zinc/26/12/91/582261291.db2.gz ISTBRZQHJUNQDA-NEPJUHHUSA-N 0 0 297.355 -1.412 20 30 CAEDRN C#CCOCCNC(=O)N1CCOC[C@H]1CNC(=O)NC ZINC000875487072 582261350 /nfs/dbraw/zinc/26/13/50/582261350.db2.gz OWGBRFLQCNSLRM-LLVKDONJSA-N 0 0 298.343 -1.024 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N(C)CCOCCO ZINC000875602587 582261384 /nfs/dbraw/zinc/26/13/84/582261384.db2.gz IDBUYTGGTBVVBC-NSHDSACASA-N 0 0 286.328 -1.392 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000875602578 582261404 /nfs/dbraw/zinc/26/14/04/582261404.db2.gz HYELMCYQVYPBHF-IJLUTSLNSA-N 0 0 298.339 -1.251 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000875602800 582261409 /nfs/dbraw/zinc/26/14/09/582261409.db2.gz MCWCXSKCQLELEA-JTQLQIEISA-N 0 0 281.312 -1.559 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000875602261 582261413 /nfs/dbraw/zinc/26/14/13/582261413.db2.gz BRKWFKXOIWXHAK-QWRGUYRKSA-N 0 0 295.339 -1.170 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000875602484 582261415 /nfs/dbraw/zinc/26/14/15/582261415.db2.gz FZTRWRRDKWXXIY-GHMZBOCLSA-N 0 0 295.339 -1.170 20 30 CAEDRN C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000875596048 582261423 /nfs/dbraw/zinc/26/14/23/582261423.db2.gz GWPWOCIAROLAIG-ZJUUUORDSA-N 0 0 281.312 -1.464 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N(C)CCOCCO ZINC000875602586 582261424 /nfs/dbraw/zinc/26/14/24/582261424.db2.gz IDBUYTGGTBVVBC-LLVKDONJSA-N 0 0 286.328 -1.392 20 30 CAEDRN C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(CO)C1 ZINC000875596372 582261427 /nfs/dbraw/zinc/26/14/27/582261427.db2.gz LNOLXLWNUBQKMR-NSHDSACASA-N 0 0 268.313 -1.018 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000875602260 582261443 /nfs/dbraw/zinc/26/14/43/582261443.db2.gz BRKWFKXOIWXHAK-MNOVXSKESA-N 0 0 295.339 -1.170 20 30 CAEDRN C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000875598551 582261457 /nfs/dbraw/zinc/26/14/57/582261457.db2.gz ZUJDDTUAEQWZHT-NSHDSACASA-N 0 0 295.339 -1.168 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N(C)CCCO ZINC000875602194 582261460 /nfs/dbraw/zinc/26/14/60/582261460.db2.gz BACXNXUZEZMEJO-JTQLQIEISA-N 0 0 256.302 -1.018 20 30 CAEDRN C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000875600701 582261469 /nfs/dbraw/zinc/26/14/69/582261469.db2.gz SZOYHPXGCKMMIS-MNOVXSKESA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000875603010 582261581 /nfs/dbraw/zinc/26/15/81/582261581.db2.gz PMUCQVNCLXQSBN-GHMZBOCLSA-N 0 0 268.313 -1.018 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000875605885 582261594 /nfs/dbraw/zinc/26/15/94/582261594.db2.gz MRJHHKXRBVKLAF-GHMZBOCLSA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000875602801 582261595 /nfs/dbraw/zinc/26/15/95/582261595.db2.gz MCWCXSKCQLELEA-SNVBAGLBSA-N 0 0 281.312 -1.559 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@H](CO)C1 ZINC000875603012 582261596 /nfs/dbraw/zinc/26/15/96/582261596.db2.gz PMUCQVNCLXQSBN-QWRGUYRKSA-N 0 0 268.313 -1.018 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N(CC)CCO ZINC000875608309 582261599 /nfs/dbraw/zinc/26/15/99/582261599.db2.gz NZFCPAJKPKRBOK-SNVBAGLBSA-N 0 0 256.302 -1.018 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000875603343 582261600 /nfs/dbraw/zinc/26/16/00/582261600.db2.gz VUHSLXCRMSTUCP-VHSXEESVSA-N 0 0 281.312 -1.213 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000875605886 582261613 /nfs/dbraw/zinc/26/16/13/582261613.db2.gz MRJHHKXRBVKLAF-MNOVXSKESA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@H](COC)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000875605888 582261625 /nfs/dbraw/zinc/26/16/25/582261625.db2.gz MRJHHKXRBVKLAF-WDEREUQCSA-N 0 0 295.339 -1.122 20 30 CAEDRN C#CC[C@@H](COC)NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000875928636 582262104 /nfs/dbraw/zinc/26/21/04/582262104.db2.gz VULPOWIBCBVUNW-LPEHRKFASA-N 0 0 279.296 -1.061 20 30 CAEDRN C#CCN(C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000876189513 582262118 /nfs/dbraw/zinc/26/21/18/582262118.db2.gz CPMOVENLNSAXPR-ZDUSSCGKSA-N 0 0 281.312 -1.111 20 30 CAEDRN C#CC[C@H](COC)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000875921197 582262123 /nfs/dbraw/zinc/26/21/23/582262123.db2.gz GCOCPEVNEOYOPD-NXEZZACHSA-N 0 0 269.301 -1.080 20 30 CAEDRN C#CC[C@H](COC)NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000875928634 582262133 /nfs/dbraw/zinc/26/21/33/582262133.db2.gz VULPOWIBCBVUNW-BBBLOLIVSA-N 0 0 279.296 -1.061 20 30 CAEDRN C#CCOCCC(=O)N1CC(=O)NCC12COC2 ZINC000876494395 582262320 /nfs/dbraw/zinc/26/23/20/582262320.db2.gz ISFJKGNGEIHNAJ-UHFFFAOYSA-N 0 0 252.270 -1.246 20 30 CAEDRN Cc1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n1N ZINC000022195634 582265423 /nfs/dbraw/zinc/26/54/23/582265423.db2.gz WBPRUGVPKZKTOG-UHFFFAOYSA-N 0 0 293.312 -1.279 20 30 CAEDRN C=CC[C@@H](C(=O)OC)N1CCN(S(N)(=O)=O)CC1 ZINC000878095481 582265530 /nfs/dbraw/zinc/26/55/30/582265530.db2.gz YTHZOCZDFVRTDY-VIFPVBQESA-N 0 0 277.346 -1.075 20 30 CAEDRN C=CC[C@H](C(=O)OC)N1CCN(S(N)(=O)=O)CC1 ZINC000878095480 582265556 /nfs/dbraw/zinc/26/55/56/582265556.db2.gz YTHZOCZDFVRTDY-SECBINFHSA-N 0 0 277.346 -1.075 20 30 CAEDRN C=CC[C@H](C(=O)OC)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000878196242 582265956 /nfs/dbraw/zinc/26/59/56/582265956.db2.gz ZSQKIKZHAKBNQJ-NXEZZACHSA-N 0 0 281.312 -1.253 20 30 CAEDRN C#CCN(CCn1cnnn1)[C@H]1CCS(=O)(=O)C1 ZINC000878236857 582265995 /nfs/dbraw/zinc/26/59/95/582265995.db2.gz CDYLNSGAZHVTGY-JTQLQIEISA-N 0 0 269.330 -1.205 20 30 CAEDRN C#CCNS(=O)(=O)N1CCN(CCn2cnnn2)CC1 ZINC000878314951 582266010 /nfs/dbraw/zinc/26/60/10/582266010.db2.gz BDPYNROYEFMZCW-UHFFFAOYSA-N 0 0 299.360 -2.242 20 30 CAEDRN C#CCNC(=O)CN1CCO[C@@H](Cn2ccnn2)C1 ZINC000878989065 582267094 /nfs/dbraw/zinc/26/70/94/582267094.db2.gz VXJFJSWAMPDHTE-LLVKDONJSA-N 0 0 263.301 -1.272 20 30 CAEDRN C#CCNC(=O)[C@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000879352952 582267344 /nfs/dbraw/zinc/26/73/44/582267344.db2.gz IORNDWVQWGMKQN-LBPRGKRZSA-N 0 0 280.372 -1.170 20 30 CAEDRN C#CCNC(=O)[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000879352951 582267353 /nfs/dbraw/zinc/26/73/53/582267353.db2.gz IORNDWVQWGMKQN-GFCCVEGCSA-N 0 0 280.372 -1.170 20 30 CAEDRN C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)NC ZINC000879421891 582267360 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C[C@@H](Cc1cccnc1)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258611718 780633717 /nfs/dbraw/zinc/63/37/17/780633717.db2.gz NJVXDHMWWFBOAC-DDNMXHNFSA-N 0 0 298.339 -1.755 20 30 CAEDRN C#CCCCNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001258504043 780634133 /nfs/dbraw/zinc/63/41/33/780634133.db2.gz OYURWDCJPROVAC-UHFFFAOYSA-N 0 0 278.268 -1.081 20 30 CAEDRN COC(=O)CS(=O)(=O)N1CCC(=O)[C@@H](C#N)C1 ZINC001259021600 780634890 /nfs/dbraw/zinc/63/48/90/780634890.db2.gz FLXVAFLOMSFQCJ-ZETCQYMHSA-N 0 0 260.271 -1.096 20 30 CAEDRN CCn1cc(S(=O)(=O)N[C@@H](C#N)C(N)=O)cn1 ZINC001259841957 780642387 /nfs/dbraw/zinc/64/23/87/780642387.db2.gz RSEBERTWFPIWQL-ZETCQYMHSA-N 0 0 257.275 -1.441 20 30 CAEDRN C#CCO[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001299638888 780645440 /nfs/dbraw/zinc/64/54/40/780645440.db2.gz CZHNVFRMWIRQNH-QMTHXVAHSA-N 0 0 295.339 -1.135 20 30 CAEDRN C#CCOCCNC(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001260263557 780648317 /nfs/dbraw/zinc/64/83/17/780648317.db2.gz HRSPNYRTRUZZMT-UHFFFAOYSA-N 0 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N#CCN1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC001261699655 780679534 /nfs/dbraw/zinc/67/95/34/780679534.db2.gz OJZXZCPSLNTVBG-UHFFFAOYSA-N 0 0 275.316 -1.367 20 30 CAEDRN C#CCO[C@@H](C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001261740371 780680014 /nfs/dbraw/zinc/68/00/14/780680014.db2.gz ZHCSSUCPZSCHAX-VIFPVBQESA-N 0 0 254.286 -1.137 20 30 CAEDRN C#CCO[C@H](C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001261740370 780680039 /nfs/dbraw/zinc/68/00/39/780680039.db2.gz ZHCSSUCPZSCHAX-SECBINFHSA-N 0 0 254.286 -1.137 20 30 CAEDRN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C(N)=O ZINC001261739408 780680231 /nfs/dbraw/zinc/68/02/31/780680231.db2.gz UIBJNZZGAVKFAY-RKDXNWHRSA-N 0 0 257.290 -1.580 20 30 CAEDRN COCC#CC(=O)N1CCN(CCOC)C(=O)C1 ZINC001261736676 780680269 /nfs/dbraw/zinc/68/02/69/780680269.db2.gz RGKIQFDBULHXBF-UHFFFAOYSA-N 0 0 254.286 -1.047 20 30 CAEDRN C=C[C@@H](O)C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001261736497 780680683 /nfs/dbraw/zinc/68/06/83/780680683.db2.gz MBEDMUMPMGDGIB-SECBINFHSA-N 0 0 268.273 -1.523 20 30 CAEDRN C#CCN(C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001261738659 780680602 /nfs/dbraw/zinc/68/06/02/780680602.db2.gz XPEXOYICGLBGEU-UHFFFAOYSA-N 0 0 283.309 -1.053 20 30 CAEDRN C#C[C@H](CO)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001261743877 780681245 /nfs/dbraw/zinc/68/12/45/780681245.db2.gz OGPVPTRBDIMIHR-SSDOTTSWSA-N 0 0 261.245 -1.582 20 30 CAEDRN C#CC[C@@H](CO)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001261742001 780681250 /nfs/dbraw/zinc/68/12/50/780681250.db2.gz IQLRXQRPYDVVQU-ZETCQYMHSA-N 0 0 267.241 -2.093 20 30 CAEDRN N#C[C@@H](CO)NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC001261744662 780681304 /nfs/dbraw/zinc/68/13/04/780681304.db2.gz MTMUDHLXCVBESK-VIFPVBQESA-N 0 0 279.300 -1.228 20 30 CAEDRN O=C(N[C@H]1CCCN(O)C1=O)c1cnn(C[C@H](O)CO)c1 ZINC001261743348 780681417 /nfs/dbraw/zinc/68/14/17/780681417.db2.gz XMDBZCBCNSIHAM-UWVGGRQHSA-N 0 0 298.299 -1.654 20 30 CAEDRN C#CC[C@H](CO)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001261742000 780681434 /nfs/dbraw/zinc/68/14/34/780681434.db2.gz IQLRXQRPYDVVQU-SSDOTTSWSA-N 0 0 267.241 -2.093 20 30 CAEDRN O=C(N[C@@H]1CCCN(O)C1=O)c1cnn(C[C@@H](O)CO)c1 ZINC001261743347 780681690 /nfs/dbraw/zinc/68/16/90/780681690.db2.gz XMDBZCBCNSIHAM-NXEZZACHSA-N 0 0 298.299 -1.654 20 30 CAEDRN N#C[C@@H](CO)NC(=O)[C@@H]1COCCN1CC(F)F ZINC001261744478 780681784 /nfs/dbraw/zinc/68/17/84/780681784.db2.gz HZILWEVASNDSSD-YUMQZZPRSA-N 0 0 263.244 -1.047 20 30 CAEDRN C#C[C@@H](CO)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001261743878 780681801 /nfs/dbraw/zinc/68/18/01/780681801.db2.gz OGPVPTRBDIMIHR-ZETCQYMHSA-N 0 0 261.245 -1.582 20 30 CAEDRN C#CCCN(CCOC)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001261757130 780682559 /nfs/dbraw/zinc/68/25/59/780682559.db2.gz FZKFNMTZIBQDNE-NSHDSACASA-N 0 0 283.328 -1.135 20 30 CAEDRN C=CCOCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001299736473 780682627 /nfs/dbraw/zinc/68/26/27/780682627.db2.gz CEQXBPZARXVRHD-GFCCVEGCSA-N 0 0 285.300 -2.246 20 30 CAEDRN C=CCOCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001299736474 780682632 /nfs/dbraw/zinc/68/26/32/780682632.db2.gz 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C#CCOCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000832102353 582204135 /nfs/dbraw/zinc/20/41/35/582204135.db2.gz DWODYXJGPJXWQK-JTQLQIEISA-N 0 0 289.357 -1.332 20 30 CAEDRN C#C[C@@H](C)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000832424221 582204514 /nfs/dbraw/zinc/20/45/14/582204514.db2.gz FCTLUUHJHPIWNH-SSDOTTSWSA-N 0 0 283.309 -1.007 20 30 CAEDRN C=C[C@@H](O)C(=O)N[C@H](CNC(=O)[C@@H](O)C=C)COC ZINC000832682523 582204937 /nfs/dbraw/zinc/20/49/37/582204937.db2.gz JILOCIQZOKEOID-KXUCPTDWSA-N 0 0 272.301 -1.672 20 30 CAEDRN C#CCNS(=O)(=O)N1CC[NH+]([C@@H](CC)C(=O)[O-])CC1 ZINC000833365608 582205916 /nfs/dbraw/zinc/20/59/16/582205916.db2.gz NMVRFXAIEUQGAG-JTQLQIEISA-N 0 0 289.357 -1.065 20 30 CAEDRN C#CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000834397857 582210354 /nfs/dbraw/zinc/21/03/54/582210354.db2.gz VJWYQTXMLMGVEM-UHFFFAOYSA-N 0 0 268.298 -1.124 20 30 CAEDRN C=C[C@@H](O)C(=O)NC1(CNC(=O)[C@@H](O)C=C)CC1 ZINC000834631610 582211209 /nfs/dbraw/zinc/21/12/09/582211209.db2.gz OHSXMACGRYBTPR-DTWKUNHWSA-N 0 0 254.286 -1.155 20 30 CAEDRN C=C[C@@H](O)C(=O)NCC1(NC(=O)[C@H](O)C=C)CC1 ZINC000834631612 582211353 /nfs/dbraw/zinc/21/13/53/582211353.db2.gz OHSXMACGRYBTPR-RKDXNWHRSA-N 0 0 254.286 -1.155 20 30 CAEDRN N#CCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000834652279 582211374 /nfs/dbraw/zinc/21/13/74/582211374.db2.gz NLJLCCQIMUJDKZ-MRVPVSSYSA-N 0 0 260.319 -1.068 20 30 CAEDRN CN1C[C@H](NC(=O)[C@]2(C#N)CCCOC2)C(=O)N1 ZINC000867215360 582212018 /nfs/dbraw/zinc/21/20/18/582212018.db2.gz UBFMZMQXJSLPSV-KWQFWETISA-N 0 0 252.274 -1.232 20 30 CAEDRN CN1C[C@@H](NC(=O)[C@]2(C#N)CCCOC2)C(=O)N1 ZINC000867215359 582212022 /nfs/dbraw/zinc/21/20/22/582212022.db2.gz UBFMZMQXJSLPSV-KCJUWKMLSA-N 0 0 252.274 -1.232 20 30 CAEDRN C=CCNC(=O)CNC(=O)CN1CCCCC(=O)C1=O ZINC000867247191 582212109 /nfs/dbraw/zinc/21/21/09/582212109.db2.gz CBTRXLYLXZONIA-UHFFFAOYSA-N 0 0 281.312 -1.014 20 30 CAEDRN C#CCN1CCC[C@H]1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000837975490 582212121 /nfs/dbraw/zinc/21/21/21/582212121.db2.gz PVKFGZOJYPRFJO-NSHDSACASA-N 0 0 292.339 -1.760 20 30 CAEDRN CCN1C[C@H](S(=O)(=O)O[C@H]2CNOC2)CC1=O ZINC000867257557 582212132 /nfs/dbraw/zinc/21/21/32/582212132.db2.gz XOTSNMVSOQMQKD-JGVFFNPUSA-N 0 0 264.303 -1.143 20 30 CAEDRN N#C[C@@]1(C(=O)NCCN2CCNC(=O)C2)CCCOC1 ZINC000867307625 582213404 /nfs/dbraw/zinc/21/34/04/582213404.db2.gz TUOIHASLGOZADW-ZDUSSCGKSA-N 0 0 280.328 -1.145 20 30 CAEDRN C#C[C@H]1COCCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000843605193 582214992 /nfs/dbraw/zinc/21/49/92/582214992.db2.gz HURDPPZGAZVDEJ-UWVGGRQHSA-N 0 0 272.326 -1.119 20 30 CAEDRN C#C[C@@H]1COCCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000843605192 582215000 /nfs/dbraw/zinc/21/50/00/582215000.db2.gz HURDPPZGAZVDEJ-NXEZZACHSA-N 0 0 272.326 -1.119 20 30 CAEDRN C#CCOCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000843579351 582215005 /nfs/dbraw/zinc/21/50/05/582215005.db2.gz XNRWQDPSDRZQLG-VIFPVBQESA-N 0 0 260.315 -1.214 20 30 CAEDRN C#CCN1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000843798704 582215054 /nfs/dbraw/zinc/21/50/54/582215054.db2.gz YUEFDPVMTWQNSK-NSHDSACASA-N 0 0 285.369 -1.202 20 30 CAEDRN C#CCN1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000843798702 582215090 /nfs/dbraw/zinc/21/50/90/582215090.db2.gz YUEFDPVMTWQNSK-LLVKDONJSA-N 0 0 285.369 -1.202 20 30 CAEDRN C#C[C@@H](CO)NS(=O)(=O)N(CCOC)CCOC ZINC000867341765 582215173 /nfs/dbraw/zinc/21/51/73/582215173.db2.gz ZMPKRJANYSYXGZ-JTQLQIEISA-N 0 0 280.346 -1.590 20 30 CAEDRN C#CC[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)OC ZINC000843904590 582215182 /nfs/dbraw/zinc/21/51/82/582215182.db2.gz AEUFPQTUFXRCBH-RKDXNWHRSA-N 0 0 288.325 -1.299 20 30 CAEDRN C#CC[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C(=O)OC ZINC000843904588 582215225 /nfs/dbraw/zinc/21/52/25/582215225.db2.gz AEUFPQTUFXRCBH-DTWKUNHWSA-N 0 0 288.325 -1.299 20 30 CAEDRN C#C[C@H](CO)NS(=O)(=O)CC1(C(=O)OC)CC1 ZINC000867341519 582215242 /nfs/dbraw/zinc/21/52/42/582215242.db2.gz NAVKNRDZXTULSN-MRVPVSSYSA-N 0 0 261.299 -1.147 20 30 CAEDRN C#CC[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C(=O)OC ZINC000843904589 582215258 /nfs/dbraw/zinc/21/52/58/582215258.db2.gz AEUFPQTUFXRCBH-IUCAKERBSA-N 0 0 288.325 -1.299 20 30 CAEDRN C#C[C@H](CO)NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000867341879 582215483 /nfs/dbraw/zinc/21/54/83/582215483.db2.gz SSLFNHCYGOEJHR-SCZZXKLOSA-N 0 0 272.326 -1.337 20 30 CAEDRN C#C[C@@H](CO)NS(=O)(=O)c1cnn(CCOC)c1 ZINC000867339459 582215516 /nfs/dbraw/zinc/21/55/16/582215516.db2.gz KCPHGODTUJLNEF-VIFPVBQESA-N 0 0 273.314 -1.198 20 30 CAEDRN C#C[C@H](CO)NS(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000867340630 582215685 /nfs/dbraw/zinc/21/56/85/582215685.db2.gz CFOIOIINGPYFEO-RKDXNWHRSA-N 0 0 260.315 -1.479 20 30 CAEDRN C#C[C@@H](CO)NS(=O)(=O)CCCN1CCOCC1 ZINC000867340022 582215686 /nfs/dbraw/zinc/21/56/86/582215686.db2.gz TWAOORSFACYYDP-NSHDSACASA-N 0 0 276.358 -1.378 20 30 CAEDRN C#C[C@@H](CO)NS(=O)(=O)c1ccnn1COC ZINC000867340104 582215722 /nfs/dbraw/zinc/21/57/22/582215722.db2.gz WFGZWTUAHNDHIX-QMMMGPOBSA-N 0 0 259.287 -1.241 20 30 CAEDRN C#C[C@H](CO)NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000867340924 582215730 /nfs/dbraw/zinc/21/57/30/582215730.db2.gz GDGWHJUSWVNNJM-AXFHLTTASA-N 0 0 277.342 -1.049 20 30 CAEDRN C#C[C@@H](CO)NS(=O)(=O)CCOCCOC ZINC000867340047 582215733 /nfs/dbraw/zinc/21/57/33/582215733.db2.gz UPDMLTDFAPMOOI-VIFPVBQESA-N 0 0 251.304 -1.437 20 30 CAEDRN C#C[C@H](CO)NS(=O)(=O)CCCN1CCOCC1 ZINC000867340021 582215736 /nfs/dbraw/zinc/21/57/36/582215736.db2.gz TWAOORSFACYYDP-LLVKDONJSA-N 0 0 276.358 -1.378 20 30 CAEDRN CC#CC[C@@H](CO)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000844112265 582216070 /nfs/dbraw/zinc/21/60/70/582216070.db2.gz ISAQIGYFAIYHNV-JTQLQIEISA-N 0 0 281.312 -1.152 20 30 CAEDRN C#CCN(CC#CC)C(=O)Cn1cnc(C(N)=O)n1 ZINC000844407953 582216655 /nfs/dbraw/zinc/21/66/55/582216655.db2.gz AOLFSMFUSGNBHG-UHFFFAOYSA-N 0 0 259.269 -1.138 20 30 CAEDRN C#C[C@@H]1COCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000844565667 582216820 /nfs/dbraw/zinc/21/68/20/582216820.db2.gz KCUQMSWILFYRFF-MRVPVSSYSA-N 0 0 263.257 -1.762 20 30 CAEDRN CCON(C)C(=O)CNC(=O)NCC(=O)NCC#N ZINC000845194174 582217556 /nfs/dbraw/zinc/21/75/56/582217556.db2.gz XISOBTWGYLEWHB-UHFFFAOYSA-N 0 0 271.277 -1.665 20 30 CAEDRN N#CCNC(=O)COC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845232568 582217727 /nfs/dbraw/zinc/21/77/27/582217727.db2.gz MAGJSMGHKZAOGB-UHFFFAOYSA-N 0 0 293.283 -1.436 20 30 CAEDRN C=CCNC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000845364904 582217854 /nfs/dbraw/zinc/21/78/54/582217854.db2.gz CAIXCWIZANLEJH-SSDOTTSWSA-N 0 0 262.287 -1.477 20 30 CAEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000845366363 582217863 /nfs/dbraw/zinc/21/78/63/582217863.db2.gz FHQVOENPMSDBCV-HTQZYQBOSA-N 0 0 274.298 -1.641 20 30 CAEDRN C#CCCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000845360460 582217865 /nfs/dbraw/zinc/21/78/65/582217865.db2.gz DMASRQCHFANCJG-NSHDSACASA-N 0 0 285.369 -1.154 20 30 CAEDRN C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000845368970 582217998 /nfs/dbraw/zinc/21/79/98/582217998.db2.gz NCMKGJCYWWULCG-HTQZYQBOSA-N 0 0 276.314 -1.088 20 30 CAEDRN CNC(=O)[C@@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845444711 582218294 /nfs/dbraw/zinc/21/82/94/582218294.db2.gz DRARHFDHEZUSCR-QMMMGPOBSA-N 0 0 277.284 -1.164 20 30 CAEDRN C#CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000845501601 582218453 /nfs/dbraw/zinc/21/84/53/582218453.db2.gz UPHXZXFMBDIBQN-SNVBAGLBSA-N 0 0 271.342 -1.545 20 30 CAEDRN C#CCN1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000845501654 582218460 /nfs/dbraw/zinc/21/84/60/582218460.db2.gz VQMRBUSTLZVTQU-UHFFFAOYSA-N 0 0 271.342 -1.415 20 30 CAEDRN C=CCNC(=O)CNC(=O)NCC(=O)N(C)OCC ZINC000845564041 582219421 /nfs/dbraw/zinc/21/94/21/582219421.db2.gz KZONVHZSWZAKJK-UHFFFAOYSA-N 0 0 272.305 -1.002 20 30 CAEDRN C=C[C@@H](C)ONC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000845620710 582219554 /nfs/dbraw/zinc/21/95/54/582219554.db2.gz WACALFDACPVYLH-MRVPVSSYSA-N 0 0 270.289 -1.168 20 30 CAEDRN C=C[C@H](C)ONC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000845620711 582219571 /nfs/dbraw/zinc/21/95/71/582219571.db2.gz WACALFDACPVYLH-QMMMGPOBSA-N 0 0 270.289 -1.168 20 30 CAEDRN CS(=O)(=O)CCCS(=O)(=O)O[C@H]1CNOC1 ZINC000845931373 582220384 /nfs/dbraw/zinc/22/03/84/582220384.db2.gz PGYJHNSSVIIQLQ-ZETCQYMHSA-N 0 0 273.332 -1.329 20 30 CAEDRN C#CCOCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000845941301 582220431 /nfs/dbraw/zinc/22/04/31/582220431.db2.gz LAAXFYUHLQSAKC-UHFFFAOYSA-N 0 0 277.346 -1.509 20 30 CAEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCCn1cnnn1 ZINC000845950910 582220546 /nfs/dbraw/zinc/22/05/46/582220546.db2.gz OOVDKXSWLUOZBY-QMMMGPOBSA-N 0 0 273.322 -1.401 20 30 CAEDRN C#CCC[C@@H](O)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000846066155 582220898 /nfs/dbraw/zinc/22/08/98/582220898.db2.gz ZUZJOIMHGDMLLL-SNVBAGLBSA-N 0 0 291.373 -1.385 20 30 CAEDRN C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000846079412 582220940 /nfs/dbraw/zinc/22/09/40/582220940.db2.gz JUGLCTMTCGABSY-JTQLQIEISA-N 0 0 289.357 -1.367 20 30 CAEDRN C#CCOCCC(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000846079348 582220942 /nfs/dbraw/zinc/22/09/42/582220942.db2.gz IJXRBKAFHJUYAP-UHFFFAOYSA-N 0 0 289.357 -1.365 20 30 CAEDRN C#C[C@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846253376 582221281 /nfs/dbraw/zinc/22/12/81/582221281.db2.gz BQJWEZRGBGZOPP-DTWKUNHWSA-N 0 0 258.299 -1.461 20 30 CAEDRN C#CC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)OC ZINC000846253638 582221332 /nfs/dbraw/zinc/22/13/32/582221332.db2.gz KIMUFENYWNMNLX-HTQZYQBOSA-N 0 0 274.298 -1.641 20 30 CAEDRN CON=CC(=O)NC[C@H]1CN(C(=O)C=NOC)CCN1C ZINC000846283915 582221344 /nfs/dbraw/zinc/22/13/44/582221344.db2.gz KUYFRFYWVTZMIP-JTQLQIEISA-N 0 0 299.331 -1.490 20 30 CAEDRN C#CCC[C@H](O)CNC(=O)c1nc2n(n1)CCCN2 ZINC000847160243 582224095 /nfs/dbraw/zinc/22/40/95/582224095.db2.gz LPHZEWHRIODITR-VIFPVBQESA-N 0 0 263.301 -1.145 20 30 CAEDRN C=CCNC(=O)COC(=O)Cn1nc(C)n(C)c1=O ZINC000847703423 582224718 /nfs/dbraw/zinc/22/47/18/582224718.db2.gz GVKOKRDIDNRNCK-UHFFFAOYSA-N 0 0 268.273 -1.264 20 30 CAEDRN C#C[C@H](C)NC(=O)CS(=O)(=O)CC(=O)N[C@@H](C)C#C ZINC000847760434 582224962 /nfs/dbraw/zinc/22/49/62/582224962.db2.gz 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N#CC[C@]1(O)CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001143189751 776212648 /nfs/dbraw/zinc/21/26/48/776212648.db2.gz ACECYRFOUKRNGM-UFBFGSQYSA-N 0 0 280.284 -1.148 20 30 CAEDRN C#CCN1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001090154941 776213939 /nfs/dbraw/zinc/21/39/39/776213939.db2.gz KGTBMOPZGAGABT-WDEREUQCSA-N 0 0 277.328 -1.078 20 30 CAEDRN Cc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nnn1C ZINC001090157229 776214013 /nfs/dbraw/zinc/21/40/13/776214013.db2.gz ZGCBDZZZSDRPKM-ZJUUUORDSA-N 0 0 278.316 -1.188 20 30 CAEDRN C#CCN1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001090154939 776214026 /nfs/dbraw/zinc/21/40/26/776214026.db2.gz KGTBMOPZGAGABT-MNOVXSKESA-N 0 0 277.328 -1.078 20 30 CAEDRN Cc1c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nnn1C ZINC001090157201 776214097 /nfs/dbraw/zinc/21/40/97/776214097.db2.gz ZGCBDZZZSDRPKM-UWVGGRQHSA-N 0 0 278.316 -1.188 20 30 CAEDRN N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)c1 ZINC001090177211 776217039 /nfs/dbraw/zinc/21/70/39/776217039.db2.gz 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/nfs/dbraw/zinc/21/93/85/776219385.db2.gz MPSXDKWEFFWIPT-MNOVXSKESA-N 0 0 263.301 -1.387 20 30 CAEDRN C=CCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128855175 776219489 /nfs/dbraw/zinc/21/94/89/776219489.db2.gz RHGLDWXLIAECEY-ZJUUUORDSA-N 0 0 278.316 -1.319 20 30 CAEDRN C[C@]1(CNC(=O)[C@@H]2CCNC2=O)CN(CC#N)CCO1 ZINC001108116182 776219420 /nfs/dbraw/zinc/21/94/20/776219420.db2.gz BAZGCWHOSSOXTF-MFKMUULPSA-N 0 0 280.328 -1.147 20 30 CAEDRN C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001128829112 776219802 /nfs/dbraw/zinc/21/98/02/776219802.db2.gz BPCQZTBUNCGDAG-AEJSXWLSSA-N 0 0 291.315 -1.735 20 30 CAEDRN N#Cc1cc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)c[nH]1 ZINC001090195587 776221278 /nfs/dbraw/zinc/22/12/78/776221278.db2.gz VZNMNENZYYRCOF-QWRGUYRKSA-N 0 0 291.311 -1.463 20 30 CAEDRN CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040607110 776221308 /nfs/dbraw/zinc/22/13/08/776221308.db2.gz SSDHGIOGZXKAKK-CQSZACIVSA-N 0 0 295.339 -1.255 20 30 CAEDRN CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040607108 776221440 /nfs/dbraw/zinc/22/14/40/776221440.db2.gz SSDHGIOGZXKAKK-AWEZNQCLSA-N 0 0 295.339 -1.255 20 30 CAEDRN N#Cc1cc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)c[nH]1 ZINC001090195582 776221893 /nfs/dbraw/zinc/22/18/93/776221893.db2.gz VZNMNENZYYRCOF-GHMZBOCLSA-N 0 0 291.311 -1.463 20 30 CAEDRN C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108118810 776221916 /nfs/dbraw/zinc/22/19/16/776221916.db2.gz BWHHMLBPBUQESD-FZMZJTMJSA-N 0 0 294.355 -1.150 20 30 CAEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)[nH]1 ZINC001090202540 776222396 /nfs/dbraw/zinc/22/23/96/776222396.db2.gz ZGZMDYZAKRXCQG-MWLCHTKSSA-N 0 0 291.311 -1.463 20 30 CAEDRN N#Cc1ccnc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)c1F ZINC001162438612 776222570 /nfs/dbraw/zinc/22/25/70/776222570.db2.gz GWCSWXDDXKNAPE-WCABBAIRSA-N 0 0 263.280 -1.411 20 30 CAEDRN C#CCN1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083860517 776222699 /nfs/dbraw/zinc/22/26/99/776222699.db2.gz VFAMCTIWXBEKMB-OLZOCXBDSA-N 0 0 295.383 -1.108 20 30 CAEDRN N#CCN1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198573 776223288 /nfs/dbraw/zinc/22/32/88/776223288.db2.gz ZKGIVNRLBRKQQW-IUCAKERBSA-N 0 0 280.288 -1.941 20 30 CAEDRN N#CCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198574 776223900 /nfs/dbraw/zinc/22/39/00/776223900.db2.gz ZKGIVNRLBRKQQW-RKDXNWHRSA-N 0 0 280.288 -1.941 20 30 CAEDRN N#CCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090204264 776225439 /nfs/dbraw/zinc/22/54/39/776225439.db2.gz OBHVEZQBHUEUDE-NEPJUHHUSA-N 0 0 282.344 -1.606 20 30 CAEDRN Cn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1N ZINC001090215512 776226609 /nfs/dbraw/zinc/22/66/09/776226609.db2.gz GCKPWAALQLFNIZ-UWVGGRQHSA-N 0 0 278.316 -1.309 20 30 CAEDRN CC(=O)N1CC(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)C1 ZINC001090213499 776226672 /nfs/dbraw/zinc/22/66/72/776226672.db2.gz LFZHJAJEXSEKNJ-NWDGAFQWSA-N 0 0 280.328 -1.460 20 30 CAEDRN CC(=O)N1CC(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)C1 ZINC001090213501 776226727 /nfs/dbraw/zinc/22/67/27/776226727.db2.gz LFZHJAJEXSEKNJ-VXGBXAGGSA-N 0 0 280.328 -1.460 20 30 CAEDRN C#CCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001090213601 776226762 /nfs/dbraw/zinc/22/67/62/776226762.db2.gz NAKHHALJRXRIKG-STQMWFEESA-N 0 0 279.340 -1.351 20 30 CAEDRN CC(=O)N1CC(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)C1 ZINC001090213500 776226886 /nfs/dbraw/zinc/22/68/86/776226886.db2.gz LFZHJAJEXSEKNJ-RYUDHWBXSA-N 0 0 280.328 -1.460 20 30 CAEDRN C#CCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001090213598 776226997 /nfs/dbraw/zinc/22/69/97/776226997.db2.gz NAKHHALJRXRIKG-CHWSQXEVSA-N 0 0 279.340 -1.351 20 30 CAEDRN C#CCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001090213600 776227261 /nfs/dbraw/zinc/22/72/61/776227261.db2.gz NAKHHALJRXRIKG-QWHCGFSZSA-N 0 0 279.340 -1.351 20 30 CAEDRN C#CCN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090217805 776227462 /nfs/dbraw/zinc/22/74/62/776227462.db2.gz RRECTMVPVYJNOS-QWRGUYRKSA-N 0 0 277.328 -1.200 20 30 CAEDRN C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509704 776228881 /nfs/dbraw/zinc/22/88/81/776228881.db2.gz PTXOWMMJGKBNAC-SECBINFHSA-N 0 0 283.328 -1.237 20 30 CAEDRN C#CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001090226537 776230948 /nfs/dbraw/zinc/23/09/48/776230948.db2.gz WHKSKMWDJYLONO-NXEZZACHSA-N 0 0 279.296 -1.224 20 30 CAEDRN Cc1nnc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)[nH]1 ZINC001090234466 776232253 /nfs/dbraw/zinc/23/22/53/776232253.db2.gz OHRMLIHRRACAJO-VHSXEESVSA-N 0 0 278.316 -1.269 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001045540365 776234337 /nfs/dbraw/zinc/23/43/37/776234337.db2.gz GPYQYGZGWREIBP-QMMMGPOBSA-N 0 0 277.284 -1.128 20 30 CAEDRN C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 ZINC001045540465 776234425 /nfs/dbraw/zinc/23/44/25/776234425.db2.gz IASHPCHODOOVAJ-NXEZZACHSA-N 0 0 297.311 -1.749 20 30 CAEDRN C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001045540434 776234535 /nfs/dbraw/zinc/23/45/35/776234535.db2.gz HTVAZEMDMIJMNH-RKDXNWHRSA-N 0 0 294.311 -1.886 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001045540430 776234551 /nfs/dbraw/zinc/23/45/51/776234551.db2.gz HTVAZEMDMIJMNH-DTWKUNHWSA-N 0 0 294.311 -1.886 20 30 CAEDRN CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045540443 776234593 /nfs/dbraw/zinc/23/45/93/776234593.db2.gz HWGXBWGTGPCZHE-MRVPVSSYSA-N 0 0 282.300 -2.028 20 30 CAEDRN Cc1nnc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)o1 ZINC001090240922 776234880 /nfs/dbraw/zinc/23/48/80/776234880.db2.gz PFORZCCWXNITEM-UWVGGRQHSA-N 0 0 279.300 -1.005 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001045540459 776235026 /nfs/dbraw/zinc/23/50/26/776235026.db2.gz HZQTYJSYMUSXTD-YUMQZZPRSA-N 0 0 296.283 -2.056 20 30 CAEDRN Cn1nncc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O ZINC001090242660 776235746 /nfs/dbraw/zinc/23/57/46/776235746.db2.gz ZVXVMDGTVQPBPY-SCZZXKLOSA-N 0 0 264.289 -1.496 20 30 CAEDRN C#CCN1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242467 776235781 /nfs/dbraw/zinc/23/57/81/776235781.db2.gz YAILJWCNCHWZCR-GXSJLCMTSA-N 0 0 263.301 -1.387 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001045541010 776235862 /nfs/dbraw/zinc/23/58/62/776235862.db2.gz ONIFIZIIEMYJHG-VIFPVBQESA-N 0 0 291.311 -1.199 20 30 CAEDRN CCn1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 ZINC001090244315 776235935 /nfs/dbraw/zinc/23/59/35/776235935.db2.gz MYWHCOQPWUFSIF-MWLCHTKSSA-N 0 0 278.316 -1.013 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001045540924 776236001 /nfs/dbraw/zinc/23/60/01/776236001.db2.gz MXCWPYPLYMTKAH-QMMMGPOBSA-N 0 0 293.287 -2.478 20 30 CAEDRN CCn1nncc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O ZINC001090249012 776236223 /nfs/dbraw/zinc/23/62/23/776236223.db2.gz KLSCFLSERAGTHL-KOLCDFICSA-N 0 0 278.316 -1.013 20 30 CAEDRN CCn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 ZINC001090244316 776236243 /nfs/dbraw/zinc/23/62/43/776236243.db2.gz MYWHCOQPWUFSIF-ONGXEEELSA-N 0 0 278.316 -1.013 20 30 CAEDRN C#CCN1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242469 776236361 /nfs/dbraw/zinc/23/63/61/776236361.db2.gz YAILJWCNCHWZCR-MWLCHTKSSA-N 0 0 263.301 -1.387 20 30 CAEDRN C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 ZINC001045547094 776236391 /nfs/dbraw/zinc/23/63/91/776236391.db2.gz VEBGEHQIXFUYDI-VIFPVBQESA-N 0 0 289.295 -1.061 20 30 CAEDRN COCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045540685 776236586 /nfs/dbraw/zinc/23/65/86/776236586.db2.gz KWASMFQBVYRRSE-QMMMGPOBSA-N 0 0 255.274 -1.518 20 30 CAEDRN CCn1nncc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O ZINC001090249014 776236469 /nfs/dbraw/zinc/23/64/69/776236469.db2.gz KLSCFLSERAGTHL-ONGXEEELSA-N 0 0 278.316 -1.013 20 30 CAEDRN Cn1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 ZINC001090245678 776236819 /nfs/dbraw/zinc/23/68/19/776236819.db2.gz GMRQULGTCDDMPN-IUCAKERBSA-N 0 0 264.289 -1.496 20 30 CAEDRN C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001045541360 776236978 /nfs/dbraw/zinc/23/69/78/776236978.db2.gz UXOFDZRONUGDCW-SSDOTTSWSA-N 0 0 268.273 -2.289 20 30 CAEDRN C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061835976 776239555 /nfs/dbraw/zinc/23/95/55/776239555.db2.gz CRNTZKRAPSLCIP-VHSXEESVSA-N 0 0 299.327 -1.594 20 30 CAEDRN C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061835977 776239717 /nfs/dbraw/zinc/23/97/17/776239717.db2.gz CRNTZKRAPSLCIP-ZJUUUORDSA-N 0 0 299.327 -1.594 20 30 CAEDRN C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061835974 776240340 /nfs/dbraw/zinc/24/03/40/776240340.db2.gz CRNTZKRAPSLCIP-NXEZZACHSA-N 0 0 299.327 -1.594 20 30 CAEDRN C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061842289 776241125 /nfs/dbraw/zinc/24/11/25/776241125.db2.gz QTBBWRAESNUGGC-YUMQZZPRSA-N 0 0 268.273 -2.025 20 30 CAEDRN C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061842400 776241267 /nfs/dbraw/zinc/24/12/67/776241267.db2.gz TYHIXOWPRJCNMA-SECBINFHSA-N 0 0 285.300 -1.982 20 30 CAEDRN C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061842349 776241403 /nfs/dbraw/zinc/24/14/03/776241403.db2.gz 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254.286 -1.312 20 30 CAEDRN C#CCOCCNC(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001261700729 780679353 /nfs/dbraw/zinc/67/93/53/780679353.db2.gz ODILAPYCLFILFJ-UHFFFAOYSA-N 0 0 284.312 -1.902 20 30 CAEDRN C=C[C@H](O)C(=O)Nc1cnn(CC(=O)NCCO)c1 ZINC001261736498 780680173 /nfs/dbraw/zinc/68/01/73/780680173.db2.gz MBEDMUMPMGDGIB-VIFPVBQESA-N 0 0 268.273 -1.523 20 30 CAEDRN O=C(N[C@@H]1CCCN(O)C1=O)c1cnn(C[C@H](O)CO)c1 ZINC001261743349 780681401 /nfs/dbraw/zinc/68/14/01/780681401.db2.gz XMDBZCBCNSIHAM-VHSXEESVSA-N 0 0 298.299 -1.654 20 30 CAEDRN C#C[C@@H](CO)NC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC001261743665 780681447 /nfs/dbraw/zinc/68/14/47/780681447.db2.gz ILJIKPCZELQODV-QMMMGPOBSA-N 0 0 276.256 -1.258 20 30 CAEDRN COCCN(CC#N)C(=O)c1nc2n(n1)CCCN2 ZINC001261744309 780681765 /nfs/dbraw/zinc/68/17/65/780681765.db2.gz BMDLRBLQPSZBNN-UHFFFAOYSA-N 0 0 264.289 -1.037 20 30 CAEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC/C=C/CO)C1=O ZINC001261751134 780682700 /nfs/dbraw/zinc/68/27/00/780682700.db2.gz QGAWGUZVYKNRAE-ONEGZZNKSA-N 0 0 281.268 -1.372 20 30 CAEDRN C=CCNC(=O)CNC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001261790836 780683546 /nfs/dbraw/zinc/68/35/46/780683546.db2.gz WTYCPRTVDWWOIZ-SECBINFHSA-N 0 0 284.316 -1.426 20 30 CAEDRN COC(=O)COCCNC(=O)NCCn1cnc(C#N)n1 ZINC001261790373 780683597 /nfs/dbraw/zinc/68/35/97/780683597.db2.gz JQBJDUXQCXSKOM-UHFFFAOYSA-N 0 0 296.287 -1.361 20 30 CAEDRN C=CCNC(=O)CNC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001261790837 780683709 /nfs/dbraw/zinc/68/37/09/780683709.db2.gz WTYCPRTVDWWOIZ-VIFPVBQESA-N 0 0 284.316 -1.426 20 30 CAEDRN CON(C)C(=O)[C@@H](C)NC(=O)NCC(=O)NCC#N ZINC001261793400 780683717 /nfs/dbraw/zinc/68/37/17/780683717.db2.gz HKQWIZQANZECRK-SSDOTTSWSA-N 0 0 271.277 -1.666 20 30 CAEDRN CNC(=O)NC[C@H]1CN(CC(=O)NCCC#N)CCO1 ZINC001261806845 780684290 /nfs/dbraw/zinc/68/42/90/780684290.db2.gz BCCMYJNKWMUKON-JTQLQIEISA-N 0 0 283.332 -1.354 20 30 CAEDRN CNC(=O)NC[C@@H]1CN(CC(=O)NCCC#N)CCO1 ZINC001261806846 780684735 /nfs/dbraw/zinc/68/47/35/780684735.db2.gz BCCMYJNKWMUKON-SNVBAGLBSA-N 0 0 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C#CCN1CCN(c2nnc(-c3nn[nH]n3)n2C)CC1 ZINC001262852126 780718115 /nfs/dbraw/zinc/71/81/15/780718115.db2.gz GVNFNNDFMBUIOO-UHFFFAOYSA-N 0 0 273.304 -1.250 20 30 CAEDRN Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 ZINC001281078736 780718218 /nfs/dbraw/zinc/71/82/18/780718218.db2.gz TYLQERBJBZASHG-JTQLQIEISA-N 0 0 291.311 -1.565 20 30 CAEDRN CC(C)C#CC(=O)N[C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001281077331 780718240 /nfs/dbraw/zinc/71/82/40/780718240.db2.gz IXPGAMIKYCAALZ-UWVGGRQHSA-N 0 0 297.311 -1.653 20 30 CAEDRN CCC(=O)NCC(=O)N[C@H](CO)CNC(=O)C#CC(C)C ZINC001281078553 780718350 /nfs/dbraw/zinc/71/83/50/780718350.db2.gz RYXNVOUXQIWXPL-NSHDSACASA-N 0 0 297.355 -1.235 20 30 CAEDRN C#C[C@H](C)N(C)c1nnc(CN(C)S(N)(=O)=O)n1C ZINC001262875854 780718589 /nfs/dbraw/zinc/71/85/89/780718589.db2.gz ZBPSSSCUEFLQDA-QMMMGPOBSA-N 0 0 286.361 -1.092 20 30 CAEDRN Cn1nncc1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 ZINC001281078737 780718715 /nfs/dbraw/zinc/71/87/15/780718715.db2.gz TYLQERBJBZASHG-SNVBAGLBSA-N 0 0 291.311 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C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)CC(=O)N(C)C ZINC001281113225 780795770 /nfs/dbraw/zinc/79/57/70/780795770.db2.gz OVCMMXKOUHZHIN-RKDXNWHRSA-N 0 0 284.316 -1.782 20 30 CAEDRN C[C@@H](C#N)C(=O)NC[C@@H](CO)NC(=O)CC(=O)N(C)C ZINC001281113223 780795866 /nfs/dbraw/zinc/79/58/66/780795866.db2.gz OVCMMXKOUHZHIN-IUCAKERBSA-N 0 0 284.316 -1.782 20 30 CAEDRN CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001281112329 780795937 /nfs/dbraw/zinc/79/59/37/780795937.db2.gz MLEWQOJXINMVHN-HTQZYQBOSA-N 0 0 270.289 -2.125 20 30 CAEDRN C=CCC(CC=C)C(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001281111246 780796124 /nfs/dbraw/zinc/79/61/24/780796124.db2.gz PHIPHLHDVAOLFZ-SNVBAGLBSA-N 0 0 283.328 -1.167 20 30 CAEDRN NC(=O)C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 ZINC001281111886 780796134 /nfs/dbraw/zinc/79/61/34/780796134.db2.gz KGKPGCZLKANPIT-QMMMGPOBSA-N 0 0 253.258 -2.522 20 30 CAEDRN C=CCOCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001281147147 780796637 /nfs/dbraw/zinc/79/66/37/780796637.db2.gz ILLGLNWMZYSUEJ-DTWKUNHWSA-N 0 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780799793 /nfs/dbraw/zinc/79/97/93/780799793.db2.gz CWWHNYPIIOEIIB-SECBINFHSA-N 0 0 297.315 -1.444 20 30 CAEDRN C=CCCOCC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001281256334 780800224 /nfs/dbraw/zinc/80/02/24/780800224.db2.gz JOOAXBVLOHQOFB-SECBINFHSA-N 0 0 287.316 -2.000 20 30 CAEDRN COCCN(CCNC(=O)C(N)=O)C(=O)[C@H](C)C#N ZINC001281324567 780800711 /nfs/dbraw/zinc/80/07/11/780800711.db2.gz PPNRNHLLWRFQIS-MRVPVSSYSA-N 0 0 270.289 -1.777 20 30 CAEDRN C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001281270491 780801265 /nfs/dbraw/zinc/80/12/65/780801265.db2.gz XFWKQCQVGRHEKV-BDAKNGLRSA-N 0 0 298.343 -1.407 20 30 CAEDRN C[C@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001281270497 780801429 /nfs/dbraw/zinc/80/14/29/780801429.db2.gz XFWKQCQVGRHEKV-RKDXNWHRSA-N 0 0 298.343 -1.407 20 30 CAEDRN CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001281278053 780801446 /nfs/dbraw/zinc/80/14/46/780801446.db2.gz PEWMFKOLSYJRCU-SNVBAGLBSA-N 0 0 283.328 -1.591 20 30 CAEDRN C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001281467728 780801992 /nfs/dbraw/zinc/80/19/92/780801992.db2.gz GHJOTAFAYXRXIR-IUCAKERBSA-N 0 0 282.300 -1.635 20 30 CAEDRN C#CCNC(=O)CC(=O)N1CCCO[C@H](CNC(C)=O)C1 ZINC001281464560 780802667 /nfs/dbraw/zinc/80/26/67/780802667.db2.gz KAKXBUVJOFWVPQ-GFCCVEGCSA-N 0 0 295.339 -1.121 20 30 CAEDRN C#CCO[C@H](C)C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001281462678 780802872 /nfs/dbraw/zinc/80/28/72/780802872.db2.gz FBNYCAUZBGYBJR-SNVBAGLBSA-N 0 0 293.323 -1.429 20 30 CAEDRN N#CCNCC1(O)CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001281606242 780803963 /nfs/dbraw/zinc/80/39/63/780803963.db2.gz NBLHHFFWVAAXCR-SECBINFHSA-N 0 0 282.300 -1.439 20 30 CAEDRN C#CCN1CC(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 ZINC001281578005 780804517 /nfs/dbraw/zinc/80/45/17/780804517.db2.gz QWFGXYLRTRDOOR-NSHDSACASA-N 0 0 293.371 -1.495 20 30 CAEDRN N#CCNCC1(O)CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001281626074 780804692 /nfs/dbraw/zinc/80/46/92/780804692.db2.gz 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ZINC001281885544 780808401 /nfs/dbraw/zinc/80/84/01/780808401.db2.gz QNTMLKMAQXXPDJ-ZJUUUORDSA-N 0 0 298.343 -1.301 20 30 CAEDRN C#CCCCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001281855193 780808556 /nfs/dbraw/zinc/80/85/56/780808556.db2.gz YRZGUCVQVKGRLQ-NXEZZACHSA-N 0 0 281.312 -1.383 20 30 CAEDRN C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001281875324 780808793 /nfs/dbraw/zinc/80/87/93/780808793.db2.gz YVSQIWADMMCEQY-ZJUUUORDSA-N 0 0 296.283 -1.426 20 30 CAEDRN N#CCN1CCC(CO)(NC(=O)C(=O)NCC2CC2)CC1 ZINC001281820116 780808889 /nfs/dbraw/zinc/80/88/89/780808889.db2.gz FVUQBMUBRRUOBI-UHFFFAOYSA-N 0 0 294.355 -1.021 20 30 CAEDRN C=CCOCC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001281921114 780809209 /nfs/dbraw/zinc/80/92/09/780809209.db2.gz PRQXQHYYHLFSJQ-BDAKNGLRSA-N 0 0 295.299 -1.691 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001281960572 780809599 /nfs/dbraw/zinc/80/95/99/780809599.db2.gz RPKFJCIZABAPOC-RULNRJAQSA-N 0 0 295.339 -1.142 20 30 CAEDRN C=CCCOCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001281927201 780810240 /nfs/dbraw/zinc/81/02/40/780810240.db2.gz WLEGQYIHBCUOLP-BDAKNGLRSA-N 0 0 285.300 -2.248 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001282054874 780810628 /nfs/dbraw/zinc/81/06/28/780810628.db2.gz PEHMJPGLZQUZDQ-ZANVPECISA-N 0 0 283.328 -1.142 20 30 CAEDRN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)NCC#N ZINC001282175629 780811938 /nfs/dbraw/zinc/81/19/38/780811938.db2.gz OEHYAUOSISGGTQ-VHSXEESVSA-N 0 0 280.332 -1.022 20 30 CAEDRN C[C@H](NCC#N)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001282175628 780812675 /nfs/dbraw/zinc/81/26/75/780812675.db2.gz OEHYAUOSISGGTQ-UWVGGRQHSA-N 0 0 280.332 -1.022 20 30 CAEDRN C[C@H](NCC#N)[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001282193434 780813599 /nfs/dbraw/zinc/81/35/99/780813599.db2.gz QRXGQVSODKUUMO-IUCAKERBSA-N 0 0 291.377 -1.611 20 30 CAEDRN C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001282378336 780814719 /nfs/dbraw/zinc/81/47/19/780814719.db2.gz OBCXRAUGKNDUNO-JTQLQIEISA-N 0 0 292.343 -1.385 20 30 CAEDRN C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001282425911 780815870 /nfs/dbraw/zinc/81/58/70/780815870.db2.gz SGQQBLYTXWRHJO-ZJUUUORDSA-N 0 0 292.343 -1.007 20 30 CAEDRN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001282423220 780815939 /nfs/dbraw/zinc/81/59/39/780815939.db2.gz QHPIOABXHKZTFY-ZJUUUORDSA-N 0 0 283.328 -1.094 20 30 CAEDRN C=CCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001282421256 780816697 /nfs/dbraw/zinc/81/66/97/780816697.db2.gz FBMXSSICMQHFFG-UWVGGRQHSA-N 0 0 283.328 -1.094 20 30 CAEDRN C=CCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001282421259 780816731 /nfs/dbraw/zinc/81/67/31/780816731.db2.gz FBMXSSICMQHFFG-VHSXEESVSA-N 0 0 283.328 -1.094 20 30 CAEDRN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N(C)CC#N ZINC001282413890 780816740 /nfs/dbraw/zinc/81/67/40/780816740.db2.gz UWTDZTZSQHAIPK-VIFPVBQESA-N 0 0 266.305 -1.458 20 30 CAEDRN C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001282425907 780816855 /nfs/dbraw/zinc/81/68/55/780816855.db2.gz SGQQBLYTXWRHJO-UWVGGRQHSA-N 0 0 292.343 -1.007 20 30 CAEDRN C=CCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001282421261 780817049 /nfs/dbraw/zinc/81/70/49/780817049.db2.gz FBMXSSICMQHFFG-ZJUUUORDSA-N 0 0 283.328 -1.094 20 30 CAEDRN C=CCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001282421253 780817167 /nfs/dbraw/zinc/81/71/67/780817167.db2.gz FBMXSSICMQHFFG-NXEZZACHSA-N 0 0 283.328 -1.094 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001282544727 780820964 /nfs/dbraw/zinc/82/09/64/780820964.db2.gz GPMDKKNWBLCSFP-UHFFFAOYSA-N 0 0 292.339 -1.476 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)c2cnon2)C1 ZINC001282539719 780821039 /nfs/dbraw/zinc/82/10/39/780821039.db2.gz OTUZOWBQVYZFSM-UHFFFAOYSA-N 0 0 250.258 -1.131 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001282510551 780821347 /nfs/dbraw/zinc/82/13/47/780821347.db2.gz AROWIOFBFIJSHG-NXEZZACHSA-N 0 0 267.285 -1.162 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001282539502 780821635 /nfs/dbraw/zinc/82/16/35/780821635.db2.gz KVTJRVMHHQILLS-JTQLQIEISA-N 0 0 265.313 -1.549 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001282522798 780821779 /nfs/dbraw/zinc/82/17/79/780821779.db2.gz IYLMPLLBSGYXQS-UHFFFAOYSA-N 0 0 276.296 -1.018 20 30 CAEDRN Cn1cc(CCC(=O)NC2(CCO)CN(CC#N)C2)nn1 ZINC001282545412 780821835 /nfs/dbraw/zinc/82/18/35/780821835.db2.gz PZVMEKVSOOXUHJ-UHFFFAOYSA-N 0 0 292.343 -1.176 20 30 CAEDRN C#CCN1CC(CCO)(NC(=O)CCN2CCOCC2)C1 ZINC001282538625 780821945 /nfs/dbraw/zinc/82/19/45/780821945.db2.gz BAWXOKOSRVLXCK-UHFFFAOYSA-N 0 0 295.383 -1.105 20 30 CAEDRN N#CCN1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001282510928 780821962 /nfs/dbraw/zinc/82/19/62/780821962.db2.gz JIJHNVZXIKJZLE-UHFFFAOYSA-N 0 0 265.277 -2.250 20 30 CAEDRN C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C1CN(CC#N)C1 ZINC001282713783 780822383 /nfs/dbraw/zinc/82/23/83/780822383.db2.gz AGMOAQQOMQVHKG-QMMMGPOBSA-N 0 0 291.315 -1.663 20 30 CAEDRN C[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C1CN(CC#N)C1 ZINC001282745086 780822470 /nfs/dbraw/zinc/82/24/70/780822470.db2.gz QCPTYIBPFWBGML-PSASIEDQSA-N 0 0 293.327 -1.065 20 30 CAEDRN C[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CN(CC#N)C1 ZINC001282745088 780822531 /nfs/dbraw/zinc/82/25/31/780822531.db2.gz QCPTYIBPFWBGML-SCZZXKLOSA-N 0 0 293.327 -1.065 20 30 CAEDRN CC(=O)N1CC[C@]2(C1)CN(CC(=O)NCC#N)CCO2 ZINC001282764708 780822924 /nfs/dbraw/zinc/82/29/24/780822924.db2.gz CQGASROMIUQYFM-CYBMUJFWSA-N 0 0 280.328 -1.051 20 30 CAEDRN CC(=O)N1CC[C@@]2(C1)CN(CC(=O)NCC#N)CCO2 ZINC001282764710 780823703 /nfs/dbraw/zinc/82/37/03/780823703.db2.gz CQGASROMIUQYFM-ZDUSSCGKSA-N 0 0 280.328 -1.051 20 30 CAEDRN COCC#CCN1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001282714380 780823895 /nfs/dbraw/zinc/82/38/95/780823895.db2.gz HKEHSNLJALHWKW-LLVKDONJSA-N 0 0 292.343 -1.241 20 30 CAEDRN CNS(=O)(=O)CC(=O)N[C@H]1CN(CC#N)CC1(C)C ZINC001282831438 780823996 /nfs/dbraw/zinc/82/39/96/780823996.db2.gz BDSQQZSMGUCZCW-VIFPVBQESA-N 0 0 288.373 -1.114 20 30 CAEDRN C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001282849848 780824644 /nfs/dbraw/zinc/82/46/44/780824644.db2.gz ROTSEEUEXMHLET-AATLWQCWSA-N 0 0 265.317 -1.139 20 30 CAEDRN CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@H](C)C#N ZINC001282898400 780826774 /nfs/dbraw/zinc/82/67/74/780826774.db2.gz PGFBSRZQQNQULP-SFYZADRCSA-N 0 0 254.290 -1.097 20 30 CAEDRN CC(=O)N[C@H](C)C(=O)NCCNC(=O)[C@H](C)C#N ZINC001282898398 780827170 /nfs/dbraw/zinc/82/71/70/780827170.db2.gz PGFBSRZQQNQULP-HTQZYQBOSA-N 0 0 254.290 -1.097 20 30 CAEDRN CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@@H](C)C#N ZINC001282898401 780827274 /nfs/dbraw/zinc/82/72/74/780827274.db2.gz PGFBSRZQQNQULP-YUMQZZPRSA-N 0 0 254.290 -1.097 20 30 CAEDRN CNC(=O)NCC(=O)NCCNC(=O)CSCC#N ZINC001282918104 780830143 /nfs/dbraw/zinc/83/01/43/780830143.db2.gz KAGZMQAFHYSENS-UHFFFAOYSA-N 0 0 287.345 -1.595 20 30 CAEDRN C=CCCO[C@@H](C)C(=O)NCCNC(=O)C(N)=O ZINC001282935356 780830833 /nfs/dbraw/zinc/83/08/33/780830833.db2.gz KFUVNANCFZCEFM-QMMMGPOBSA-N 0 0 257.290 -1.315 20 30 CAEDRN COC(=O)NCC(=O)NCCNC(=O)[C@@H](C)C#N ZINC001282928745 780831253 /nfs/dbraw/zinc/83/12/53/780831253.db2.gz YDBKQGJWAIWTRG-ZETCQYMHSA-N 0 0 256.262 -1.266 20 30 CAEDRN C#CCNC(=O)CC(=O)NCCNC(=O)[C@H]1C[C@@H]1OCC ZINC001282925601 780831438 /nfs/dbraw/zinc/83/14/38/780831438.db2.gz ZCXBTLCCJQFRKL-QWRGUYRKSA-N 0 0 295.339 -1.217 20 30 CAEDRN C=CCOCC(=O)NCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001282946142 780831956 /nfs/dbraw/zinc/83/19/56/780831956.db2.gz OKXGMBHNFBNQJC-QMMMGPOBSA-N 0 0 298.299 -1.981 20 30 CAEDRN C=CCOCC(=O)NCCNC(=O)CNC(=O)NC ZINC001282944540 780832031 /nfs/dbraw/zinc/83/20/31/780832031.db2.gz CHIJQNZQJNZGCX-UHFFFAOYSA-N 0 0 272.305 -1.650 20 30 CAEDRN C#CCNC(=O)CN1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001282971695 780835852 /nfs/dbraw/zinc/83/58/52/780835852.db2.gz AWPTUMDNFMAHSL-UHFFFAOYSA-N 0 0 292.339 -1.855 20 30 CAEDRN C#CCCCC(=O)NCCNC(=O)CNC(=O)NC ZINC001282988266 780836986 /nfs/dbraw/zinc/83/69/86/780836986.db2.gz LPWZAMJFYUQNKM-UHFFFAOYSA-N 0 0 268.317 -1.049 20 30 CAEDRN O=C(C#CC1CC1)NCCNC(=O)CN1C(=O)CNC1=O ZINC001283003464 780838250 /nfs/dbraw/zinc/83/82/50/780838250.db2.gz YJOBZYMBQUPBFU-UHFFFAOYSA-N 0 0 292.295 -1.816 20 30 CAEDRN Cn1nnc(C(=O)NCCNC(=O)C#CC2CC2)n1 ZINC001283002769 780838704 /nfs/dbraw/zinc/83/87/04/780838704.db2.gz LUABSUKKWNZASP-UHFFFAOYSA-N 0 0 262.273 -1.531 20 30 CAEDRN C#CCOCCC(=O)NCCNC(=O)c1cnn(C)n1 ZINC001283012698 780839554 /nfs/dbraw/zinc/83/95/54/780839554.db2.gz ICEBOLYNLRDWSG-UHFFFAOYSA-N 0 0 279.300 -1.299 20 30 CAEDRN C#CCO[C@H](C)C(=O)NCCNC(=O)CCNC(N)=O ZINC001283006644 780839713 /nfs/dbraw/zinc/83/97/13/780839713.db2.gz QYZQQIVPWGVSOB-SECBINFHSA-N 0 0 284.316 -1.685 20 30 CAEDRN C#CCO[C@H](C)C(=O)NCCNC(=O)C(C)(C)C(N)=O ZINC001283015262 780840236 /nfs/dbraw/zinc/84/02/36/780840236.db2.gz KZMBQZQVZVOYBQ-SECBINFHSA-N 0 0 283.328 -1.231 20 30 CAEDRN C#CCOCCC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283014042 780840394 /nfs/dbraw/zinc/84/03/94/780840394.db2.gz VTOSXUITTZEXNX-SECBINFHSA-N 0 0 282.300 -2.060 20 30 CAEDRN Cc1nn(CC(=O)N[C@H]2C[C@H](CNCC#N)C2)c(=O)n1C ZINC001283103839 780843085 /nfs/dbraw/zinc/84/30/85/780843085.db2.gz YZUIUPJPOHSNPB-XYPYZODXSA-N 0 0 292.343 -1.102 20 30 CAEDRN C[C@@H](C#N)C(=O)NCCNC(=O)[C@@]1(C)CCNC1=O ZINC001283158034 780845716 /nfs/dbraw/zinc/84/57/16/780845716.db2.gz ZYDBQCCHSIJLFY-UFBFGSQYSA-N 0 0 266.301 -1.095 20 30 CAEDRN C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNC(=O)C(N)=O ZINC001283251579 780848643 /nfs/dbraw/zinc/84/86/43/780848643.db2.gz IRDKONFKXJERLP-JTQLQIEISA-N 0 0 298.343 -1.435 20 30 CAEDRN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNC(=O)C(N)=O ZINC001283251580 780848788 /nfs/dbraw/zinc/84/87/88/780848788.db2.gz IRDKONFKXJERLP-SNVBAGLBSA-N 0 0 298.343 -1.435 20 30 CAEDRN COCC(=O)N(C)CC(=O)NCCCNC(=O)[C@H](C)C#N ZINC001283275285 780848832 /nfs/dbraw/zinc/84/88/32/780848832.db2.gz FALRMXXEIQHQKO-SNVBAGLBSA-N 0 0 298.343 -1.127 20 30 CAEDRN C=CCOCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001283357488 780850136 /nfs/dbraw/zinc/85/01/36/780850136.db2.gz DXXQFQWEIOQCND-ZJUUUORDSA-N 0 0 296.327 -1.413 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N1CCCN(C(=O)C(N)=O)CC1 ZINC001283407165 780851071 /nfs/dbraw/zinc/85/10/71/780851071.db2.gz MWQVXOOXIQGVRC-ZDUSSCGKSA-N 0 0 283.328 -1.140 20 30 CAEDRN C#CCOCCC(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001283395937 780851840 /nfs/dbraw/zinc/85/18/40/780851840.db2.gz HEUOMUYKFNYHTK-SNVBAGLBSA-N 0 0 281.312 -1.429 20 30 CAEDRN C=C[C@@](C)(O)CC(=O)N1CCCN(C(=O)C(N)=O)CC1 ZINC001283407164 780851921 /nfs/dbraw/zinc/85/19/21/780851921.db2.gz MWQVXOOXIQGVRC-CYBMUJFWSA-N 0 0 283.328 -1.140 20 30 CAEDRN CN(CCOCCNC(=O)C(N)=O)CC(=O)NCC#N ZINC001283409693 780851952 /nfs/dbraw/zinc/85/19/52/780851952.db2.gz XXRQZEZJZZCRBY-UHFFFAOYSA-N 0 0 285.304 -2.824 20 30 CAEDRN N#CCNCCCOCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001283470634 780853750 /nfs/dbraw/zinc/85/37/50/780853750.db2.gz FPHBCPNZFOLKQN-JTQLQIEISA-N 0 0 268.317 -1.099 20 30 CAEDRN CC#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 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C#CCN1CC(O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001484297628 892850432 /nfs/dbraw/zinc/85/04/32/892850432.db2.gz MWOKSLDBDNICIT-VIFPVBQESA-N 0 0 289.357 -2.280 20 30 CAEDRN N#CCN1CC(O)(CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC001484298036 892850551 /nfs/dbraw/zinc/85/05/51/892850551.db2.gz UOTCAHVHQQKZJH-MNOVXSKESA-N 0 0 294.355 -1.035 20 30 CAEDRN Cc1cc(NC(=O)C(=O)NCC2(O)CN(CC#N)C2)no1 ZINC001484310826 892851651 /nfs/dbraw/zinc/85/16/51/892851651.db2.gz WZZPYYKIHQEJBX-UHFFFAOYSA-N 0 0 293.283 -1.392 20 30 CAEDRN C#CCCN1CC(O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001484309828 892852190 /nfs/dbraw/zinc/85/21/90/892852190.db2.gz PTPBMMGHAUYCBX-UHFFFAOYSA-N 0 0 289.357 -2.278 20 30 CAEDRN C#CCN1CC(O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001484311468 892852458 /nfs/dbraw/zinc/85/24/58/892852458.db2.gz ZCAMZPBWSAALNX-UHFFFAOYSA-N 0 0 288.307 -1.410 20 30 CAEDRN N#CCN1CC(O)(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001484313521 892852930 /nfs/dbraw/zinc/85/29/30/892852930.db2.gz RVPDJRHDFVUSLU-LLVKDONJSA-N 0 0 283.328 -1.132 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-1.210 20 30 CAEDRN CNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 ZINC001484431982 892857706 /nfs/dbraw/zinc/85/77/06/892857706.db2.gz UQEVWIGBTJCYDU-GXFFZTMASA-N 0 0 282.344 -1.165 20 30 CAEDRN C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001484433715 892857959 /nfs/dbraw/zinc/85/79/59/892857959.db2.gz IHPVKTJYCKTONQ-KBPBESRZSA-N 0 0 299.371 -1.258 20 30 CAEDRN C#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001484440401 892858484 /nfs/dbraw/zinc/85/84/84/892858484.db2.gz NCLGRZHXZZWWAF-SMDDNHRTSA-N 0 0 279.340 -1.301 20 30 CAEDRN N#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001484433330 892858584 /nfs/dbraw/zinc/85/85/84/892858584.db2.gz LCCGOVYMRRMSAB-SMDDNHRTSA-N 0 0 294.355 -1.021 20 30 CAEDRN CNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 ZINC001484431984 892859851 /nfs/dbraw/zinc/85/98/51/892859851.db2.gz UQEVWIGBTJCYDU-MFKMUULPSA-N 0 0 282.344 -1.165 20 30 CAEDRN N#CCNCCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001484483998 892867043 /nfs/dbraw/zinc/86/70/43/892867043.db2.gz 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C=CCOCC(=O)N[C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001509730656 894104977 /nfs/dbraw/zinc/10/49/77/894104977.db2.gz FXUFKXREFKECLD-NXEZZACHSA-N 0 0 299.327 -1.594 20 30 CAEDRN C=CCOCC(=O)N[C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001509730670 894105025 /nfs/dbraw/zinc/10/50/25/894105025.db2.gz FXUFKXREFKECLD-VHSXEESVSA-N 0 0 299.327 -1.594 20 30 CAEDRN C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001510572858 894110443 /nfs/dbraw/zinc/11/04/43/894110443.db2.gz YRWOTUSJIUOYGO-SNVBAGLBSA-N 0 0 298.343 -1.342 20 30 CAEDRN C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001510749493 894112880 /nfs/dbraw/zinc/11/28/80/894112880.db2.gz UMSLZIZGPTUPBL-ZETCQYMHSA-N 0 0 277.284 -1.052 20 30 CAEDRN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)C(N)=O ZINC001510750765 894112998 /nfs/dbraw/zinc/11/29/98/894112998.db2.gz ZKMVCGHATFQAKD-RKDXNWHRSA-N 0 0 269.301 -1.527 20 30 CAEDRN C=CCn1cc(C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)nn1 ZINC001510749814 894113213 /nfs/dbraw/zinc/11/32/13/894113213.db2.gz 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ZINC001510925128 894134034 /nfs/dbraw/zinc/13/40/34/894134034.db2.gz SMERSMCJUADKRY-LLVKDONJSA-N 0 0 297.355 -1.105 20 30 CAEDRN NC(=O)CC(=O)N[C@H](CO)CNC(=O)C#CC1CC1 ZINC001510923076 894134068 /nfs/dbraw/zinc/13/40/68/894134068.db2.gz RTNUGABBRIBHJD-VIFPVBQESA-N 0 0 267.285 -2.132 20 30 CAEDRN CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001510926536 894134826 /nfs/dbraw/zinc/13/48/26/894134826.db2.gz ZAYPRTQGGTWWOB-UWVGGRQHSA-N 0 0 297.311 -1.653 20 30 CAEDRN CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC001510926541 894134503 /nfs/dbraw/zinc/13/45/03/894134503.db2.gz ZAYPRTQGGTWWOB-VHSXEESVSA-N 0 0 297.311 -1.653 20 30 CAEDRN C#CCCCC(=O)N[C@H](CO)CNC(=O)c1cnnn1C ZINC001510927758 894135157 /nfs/dbraw/zinc/13/51/57/894135157.db2.gz RXEUOMOGEQBLJO-JTQLQIEISA-N 0 0 293.327 -1.175 20 30 CAEDRN C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001510947960 894136475 /nfs/dbraw/zinc/13/64/75/894136475.db2.gz PKWKNFIEISRESY-QMMMGPOBSA-N 0 0 271.317 -1.333 20 30 CAEDRN C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001510929140 894137475 /nfs/dbraw/zinc/13/74/75/894137475.db2.gz HFQQXEKBYXNXKD-SNVBAGLBSA-N 0 0 294.311 -1.344 20 30 CAEDRN C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001510979012 894139306 /nfs/dbraw/zinc/13/93/06/894139306.db2.gz XGOWBYVBFAQDDH-MWLCHTKSSA-N 0 0 294.311 -1.345 20 30 CAEDRN C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001510979016 894139852 /nfs/dbraw/zinc/13/98/52/894139852.db2.gz XGOWBYVBFAQDDH-ONGXEEELSA-N 0 0 294.311 -1.345 20 30 CAEDRN C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001514719280 894182864 /nfs/dbraw/zinc/18/28/64/894182864.db2.gz UTYPATJCHVASFE-JGVFFNPUSA-N 0 0 252.274 -1.309 20 30 CAEDRN C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1cocn1 ZINC001510979218 894141215 /nfs/dbraw/zinc/14/12/15/894141215.db2.gz XXNQCMNTONVIFX-VHSXEESVSA-N 0 0 295.295 -1.080 20 30 CAEDRN O=C(C#CC1CC1)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001511042849 894142246 /nfs/dbraw/zinc/14/22/46/894142246.db2.gz 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250.320 -1.021 20 30 CAEDRN Cn1cnc(C(=O)N[C@H]2CCN(O)C2=O)cc1=O ZINC001556750492 894585601 /nfs/dbraw/zinc/58/56/01/894585601.db2.gz MRIGCLGCGQOXGJ-LURJTMIESA-N 0 0 252.230 -1.500 20 30 CAEDRN O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCc2nnnn2CC1 ZINC001556750462 894586235 /nfs/dbraw/zinc/58/62/35/894586235.db2.gz LNXVCSHOBKMYKT-YUMQZZPRSA-N 0 0 280.288 -1.268 20 30 CAEDRN COCCN(CC#N)C(=O)CN1CCN(C)C(=O)C1 ZINC001556908299 894587006 /nfs/dbraw/zinc/58/70/06/894587006.db2.gz MVVICSFTOVMQDY-UHFFFAOYSA-N 0 0 268.317 -1.241 20 30 CAEDRN C=C(CCC(=O)OC)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001556973249 894588974 /nfs/dbraw/zinc/58/89/74/894588974.db2.gz AJZQGCVLZIMDRW-UHFFFAOYSA-N 0 0 297.311 -1.348 20 30 CAEDRN C#C[C@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001556973800 894589210 /nfs/dbraw/zinc/58/92/10/894589210.db2.gz XAYSXHXJOGGQMO-YUMQZZPRSA-N 0 0 251.242 -1.555 20 30 CAEDRN C#C[C@@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001556973799 894589227 /nfs/dbraw/zinc/58/92/27/894589227.db2.gz XAYSXHXJOGGQMO-SFYZADRCSA-N 0 0 251.242 -1.555 20 30 CAEDRN C#C[C@H]1COCCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001556973443 894589291 /nfs/dbraw/zinc/58/92/91/894589291.db2.gz HYLGKECZKBKAFQ-ZJUUUORDSA-N 0 0 292.299 -1.962 20 30 CAEDRN C[C@H](C(=O)N1C[C@H](CO)[C@H](O)C1)n1cnc(C#N)n1 ZINC001556968944 894589406 /nfs/dbraw/zinc/58/94/06/894589406.db2.gz XODPMPCLJKTMER-IWSPIJDZSA-N 0 0 265.273 -1.478 20 30 CAEDRN C#CC[C@@H](NC(=O)CN(C)C(=O)COC)C(=O)OC ZINC001556970602 894589556 /nfs/dbraw/zinc/58/95/56/894589556.db2.gz CCFGXCOZFQUALW-SECBINFHSA-N 0 0 270.285 -1.228 20 30 CAEDRN C#CC[C@H](NC(=O)c1nccnc1C(N)=O)C(=O)OC ZINC001556971213 894590738 /nfs/dbraw/zinc/59/07/38/894590738.db2.gz SECCWQOXGAXFQW-ZETCQYMHSA-N 0 0 276.252 -1.130 20 30 CAEDRN C[NH+](C)CCONC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001557017855 894592331 /nfs/dbraw/zinc/59/23/31/894592331.db2.gz RCEQIRJYJUCHQV-UHFFFAOYSA-N 0 0 295.299 -1.180 20 30 CAEDRN N#CC[C@@]1(O)CCN(C(=O)CCn2cnnn2)C1 ZINC001557187383 894595578 /nfs/dbraw/zinc/59/55/78/894595578.db2.gz LHJVVEQUBRRBSS-SNVBAGLBSA-N 0 0 250.262 -1.060 20 30 CAEDRN N#CC[C@]1(O)CCN(C(=O)CCNC(=O)CO)C1 ZINC001557186532 894595590 /nfs/dbraw/zinc/59/55/90/894595590.db2.gz DXNWANARRCHIIN-NSHDSACASA-N 0 0 255.274 -1.638 20 30 CAEDRN N#CC[C@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001557188662 894596102 /nfs/dbraw/zinc/59/61/02/894596102.db2.gz VVGVUPUTJIOMDA-SBMIAAHKSA-N 0 0 267.285 -1.104 20 30 CAEDRN N#CC[C@@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001557188684 894595712 /nfs/dbraw/zinc/59/57/12/894595712.db2.gz VVGVUPUTJIOMDA-YGOYTEALSA-N 0 0 267.285 -1.104 20 30 CAEDRN C=C[C@H](O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001557382798 894598897 /nfs/dbraw/zinc/59/88/97/894598897.db2.gz IKSQDLUAUFDWSD-QMMMGPOBSA-N 0 0 251.242 -1.181 20 30 CAEDRN C#Cc1ccc(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)nc1 ZINC001557691483 894604586 /nfs/dbraw/zinc/60/45/86/894604586.db2.gz TWMGCZNFULQQSB-AOOOYVTPSA-N 0 0 286.291 -1.278 20 30 CAEDRN CC(C)(C#N)CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001557780275 894606529 /nfs/dbraw/zinc/60/65/29/894606529.db2.gz MPJHFUJYKODWTN-UHFFFAOYSA-N 0 0 260.319 -1.070 20 30 CAEDRN C#CC[C@H](COC)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001557768513 894607053 /nfs/dbraw/zinc/60/70/53/894607053.db2.gz DEDRFVGIEJMQML-NXEZZACHSA-N 0 0 294.315 -1.668 20 30 CAEDRN C#CCC1(O)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001558104216 894612411 /nfs/dbraw/zinc/61/24/11/894612411.db2.gz WGYYSELSHPUQEF-VIFPVBQESA-N 0 0 279.296 -1.039 20 30 CAEDRN N#C[C@H]1C[C@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001558122242 894616127 /nfs/dbraw/zinc/61/61/27/894616127.db2.gz QHMNUEKTDFMYNS-HTQZYQBOSA-N 0 0 258.303 -1.506 20 30 CAEDRN C=C[C@@H](O)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 ZINC001558151985 894616438 /nfs/dbraw/zinc/61/64/38/894616438.db2.gz UTYJRCLKBWLVHU-SSDOTTSWSA-N 0 0 263.257 -1.077 20 30 CAEDRN C=C[C@H](O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001558510793 894621751 /nfs/dbraw/zinc/62/17/51/894621751.db2.gz BPKPJAJNCNCIKE-QXEWZRGKSA-N 0 0 270.310 -1.070 20 30 CAEDRN C=C[C@@](C)(O)C(=O)N[C@H](Cn1cncn1)C(=O)OC ZINC001558579803 894622076 /nfs/dbraw/zinc/62/20/76/894622076.db2.gz XXZJFBSZBFNBLR-LDYMZIIASA-N 0 0 268.273 -1.127 20 30 CAEDRN CCNC(=O)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001558510808 894622269 /nfs/dbraw/zinc/62/22/69/894622269.db2.gz CHJGMHXHJMMDFS-CABZTGNLSA-N 0 0 299.352 -1.091 20 30 CAEDRN C#CCN(CC(=O)[O-])C[C@H](O)C[N@@H+](C)CCOC ZINC000386342462 951298373 /nfs/dbraw/zinc/29/83/73/951298373.db2.gz LUGSMSKDEJZBST-LLVKDONJSA-N 0 0 258.318 -1.055 20 30 CAEDRN C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593691880 954043516 /nfs/dbraw/zinc/04/35/16/954043516.db2.gz DNAGVURWCXDKDR-NSHDSACASA-N 0 0 295.339 -1.009 20 30 CAEDRN C[NH+]=C(NCC(=O)[O-])N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001593788713 954745829 /nfs/dbraw/zinc/74/58/29/954745829.db2.gz VZHDLXRGBSKEES-UHFFFAOYSA-N 0 0 294.315 -1.271 20 30 CAEDRN C#CCN(CC(=O)[O-])C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001588397727 958061996 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