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C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)C1=O ZINC001568729820 1069304590 /nfs/dbraw/zinc/30/45/90/1069304590.db2.gz SZUGQISAAVQSRX-CYBMUJFWSA-N 0 0 452.464 -0.026 20 30 JBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)C1=O ZINC001568729821 1069304422 /nfs/dbraw/zinc/30/44/22/1069304422.db2.gz SZUGQISAAVQSRX-ZDUSSCGKSA-N 0 0 452.464 -0.026 20 30 JBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001584662180 1069310011 /nfs/dbraw/zinc/31/00/11/1069310011.db2.gz ZBQRNARMDAYJND-AWEZNQCLSA-N 0 0 456.546 -0.622 20 30 JBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001584662181 1069309879 /nfs/dbraw/zinc/30/98/79/1069309879.db2.gz ZBQRNARMDAYJND-CQSZACIVSA-N 0 0 456.546 -0.622 20 30 JBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 ZINC001585000142 1069311024 /nfs/dbraw/zinc/31/10/24/1069311024.db2.gz OSZGCJNZMUQFBH-INIZCTEOSA-N 0 0 458.581 -0.402 20 30 JBEDRN COC(=O)[C@]1(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)CCOC1 ZINC001585020744 1069311097 /nfs/dbraw/zinc/31/10/97/1069311097.db2.gz DNSHKYJDZKAKRS-FQEVSTJZSA-N 0 0 450.517 -0.113 20 30 JBEDRN COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)CCOC1 ZINC001585020747 1069311042 /nfs/dbraw/zinc/31/10/42/1069311042.db2.gz DNSHKYJDZKAKRS-HXUWFJFHSA-N 0 0 450.517 -0.113 20 30 JBEDRN N#C[C@]12CN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001585660152 1069312937 /nfs/dbraw/zinc/31/29/37/1069312937.db2.gz GFCHJPNUFVMNBQ-SCLBCKFNSA-N 0 0 457.505 -0.143 20 30 JBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001586605656 1069315570 /nfs/dbraw/zinc/31/55/70/1069315570.db2.gz RDBYPMCRULRGGT-HNNXBMFYSA-N 0 0 457.578 -0.253 20 30 JBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001586605657 1069315704 /nfs/dbraw/zinc/31/57/04/1069315704.db2.gz RDBYPMCRULRGGT-OAHLLOKOSA-N 0 0 457.578 -0.253 20 30 JBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(S(=O)(=O)N(C)CCOC)cc2)C1=O ZINC001586715909 1069315969 /nfs/dbraw/zinc/31/59/69/1069315969.db2.gz TVLZROUVUKNDDH-UHFFFAOYSA-N 0 0 452.489 -0.107 20 30 JBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001587444461 1069319792 /nfs/dbraw/zinc/31/97/92/1069319792.db2.gz GQKRCRDFNLNLIO-HNNXBMFYSA-N 0 0 457.578 -0.044 20 30 JBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001587444469 1069319763 /nfs/dbraw/zinc/31/97/63/1069319763.db2.gz GQKRCRDFNLNLIO-OAHLLOKOSA-N 0 0 457.578 -0.044 20 30 JBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001587640828 1069320053 /nfs/dbraw/zinc/32/00/53/1069320053.db2.gz VMDQOZZEHTYGCK-DOTOQJQBSA-N 0 0 451.553 -0.040 20 30 JBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001587640830 1069320202 /nfs/dbraw/zinc/32/02/02/1069320202.db2.gz VMDQOZZEHTYGCK-NVXWUHKLSA-N 0 0 451.553 -0.040 20 30 JBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001587640831 1069320070 /nfs/dbraw/zinc/32/00/70/1069320070.db2.gz VMDQOZZEHTYGCK-RDJZCZTQSA-N 0 0 451.553 -0.040 20 30 JBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001587640832 1069320166 /nfs/dbraw/zinc/32/01/66/1069320166.db2.gz VMDQOZZEHTYGCK-WBVHZDCISA-N 0 0 451.553 -0.040 20 30 JBEDRN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)c1 ZINC001587692882 1069320779 /nfs/dbraw/zinc/32/07/79/1069320779.db2.gz LVLXKOGYUQJTGV-INIZCTEOSA-N 0 0 459.532 -0.165 20 30 JBEDRN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)c1 ZINC001587692886 1069320838 /nfs/dbraw/zinc/32/08/38/1069320838.db2.gz LVLXKOGYUQJTGV-MRXNPFEDSA-N 0 0 459.532 -0.165 20 30 JBEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001587765537 1069320698 /nfs/dbraw/zinc/32/06/98/1069320698.db2.gz HTZNUEUQYDNDNO-MSOLQXFVSA-N 0 0 468.580 -0.244 20 30 JBEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001587765538 1069320761 /nfs/dbraw/zinc/32/07/61/1069320761.db2.gz HTZNUEUQYDNDNO-QZTJIDSGSA-N 0 0 468.580 -0.244 20 30 JBEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001587765539 1069320660 /nfs/dbraw/zinc/32/06/60/1069320660.db2.gz HTZNUEUQYDNDNO-ROUUACIJSA-N 0 0 468.580 -0.244 20 30 JBEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001587765540 1069320682 /nfs/dbraw/zinc/32/06/82/1069320682.db2.gz HTZNUEUQYDNDNO-ZWKOTPCHSA-N 0 0 468.580 -0.244 20 30 JBEDRN C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001587783601 1069321187 /nfs/dbraw/zinc/32/11/87/1069321187.db2.gz UQZPGRRXQLCFKE-UHFFFAOYSA-N 0 0 471.562 -0.289 20 30 JBEDRN C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001587798315 1069321113 /nfs/dbraw/zinc/32/11/13/1069321113.db2.gz GPJQBJTVRLOZGR-UHFFFAOYSA-N 0 0 457.535 -0.565 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001587860781 1069321500 /nfs/dbraw/zinc/32/15/00/1069321500.db2.gz ASVJOUJUFHPSND-KRWDZBQOSA-N 0 0 476.563 -0.389 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001587860782 1069321405 /nfs/dbraw/zinc/32/14/05/1069321405.db2.gz ASVJOUJUFHPSND-QGZVFWFLSA-N 0 0 476.563 -0.389 20 30 JBEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001587860997 1069321453 /nfs/dbraw/zinc/32/14/53/1069321453.db2.gz FECQNJOBUYIWLD-GOSISDBHSA-N 0 0 464.592 -0.426 20 30 JBEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001587860998 1069321067 /nfs/dbraw/zinc/32/10/67/1069321067.db2.gz FECQNJOBUYIWLD-SFHVURJKSA-N 0 0 464.592 -0.426 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001587861907 1069321329 /nfs/dbraw/zinc/32/13/29/1069321329.db2.gz REUSWXFSUFJMBF-CVEARBPZSA-N 0 0 451.553 -0.420 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001587861908 1069321169 /nfs/dbraw/zinc/32/11/69/1069321169.db2.gz REUSWXFSUFJMBF-HOTGVXAUSA-N 0 0 451.553 -0.420 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001587861909 1069321468 /nfs/dbraw/zinc/32/14/68/1069321468.db2.gz REUSWXFSUFJMBF-HZPDHXFCSA-N 0 0 451.553 -0.420 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001587861910 1069321483 /nfs/dbraw/zinc/32/14/83/1069321483.db2.gz REUSWXFSUFJMBF-JKSUJKDBSA-N 0 0 451.553 -0.420 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001587862018 1069321226 /nfs/dbraw/zinc/32/12/26/1069321226.db2.gz SALNIRHIOUZNAJ-HKUYNNGSSA-N 0 0 493.634 -0.187 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001587862019 1069321437 /nfs/dbraw/zinc/32/14/37/1069321437.db2.gz SALNIRHIOUZNAJ-IEBWSBKVSA-N 0 0 493.634 -0.187 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001587862020 1069321209 /nfs/dbraw/zinc/32/12/09/1069321209.db2.gz SALNIRHIOUZNAJ-MJGOQNOKSA-N 0 0 493.634 -0.187 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001587862021 1069321421 /nfs/dbraw/zinc/32/14/21/1069321421.db2.gz SALNIRHIOUZNAJ-PKOBYXMFSA-N 0 0 493.634 -0.187 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 ZINC001587862047 1069321770 /nfs/dbraw/zinc/32/17/70/1069321770.db2.gz SREKGIGPKKHSBE-DLBZAZTESA-N 0 0 469.589 -0.349 20 30 JBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 ZINC001587862048 1069322124 /nfs/dbraw/zinc/32/21/24/1069322124.db2.gz SREKGIGPKKHSBE-IAGOWNOFSA-N 0 0 469.589 -0.349 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 ZINC001587862049 1069321807 /nfs/dbraw/zinc/32/18/07/1069321807.db2.gz SREKGIGPKKHSBE-IRXDYDNUSA-N 0 0 469.589 -0.349 20 30 JBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 ZINC001587862051 1069322083 /nfs/dbraw/zinc/32/20/83/1069322083.db2.gz SREKGIGPKKHSBE-SJORKVTESA-N 0 0 469.589 -0.349 20 30 JBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001587989478 1069321846 /nfs/dbraw/zinc/32/18/46/1069321846.db2.gz KHXBPKRNPRQKEL-KRWDZBQOSA-N 0 0 496.615 -0.021 20 30 JBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001587989479 1069322097 /nfs/dbraw/zinc/32/20/97/1069322097.db2.gz KHXBPKRNPRQKEL-QGZVFWFLSA-N 0 0 496.615 -0.021 20 30 JBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)S(=O)(=O)CC ZINC001587989751 1069322111 /nfs/dbraw/zinc/32/21/11/1069322111.db2.gz OGRRMYUJYGIKFW-HNNXBMFYSA-N 0 0 462.598 -0.648 20 30 JBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)S(=O)(=O)CC ZINC001587989752 1069321930 /nfs/dbraw/zinc/32/19/30/1069321930.db2.gz OGRRMYUJYGIKFW-OAHLLOKOSA-N 0 0 462.598 -0.648 20 30 JBEDRN 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