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378.433 -0.698 20 30 GBEDRN CN1CCO[C@@H]2CN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21 ZINC000329972401 1073390317 /nfs/dbraw/zinc/39/03/17/1073390317.db2.gz WDGSKCKISYPKDE-HUUCEWRRSA-N 0 0 378.433 -0.698 20 30 GBEDRN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCO[C@]2(CCOC2)C1 ZINC000329973497 1073390162 /nfs/dbraw/zinc/39/01/62/1073390162.db2.gz YRBWFAWDFQJQAT-GDBMZVCRSA-N 0 0 391.490 -0.120 20 30 GBEDRN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCO[C@]2(CCOC2)C1 ZINC000329973499 1073390347 /nfs/dbraw/zinc/39/03/47/1073390347.db2.gz YRBWFAWDFQJQAT-GOEBONIOSA-N 0 0 391.490 -0.120 20 30 GBEDRN CC(=O)N1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000329974309 1073391030 /nfs/dbraw/zinc/39/10/30/1073391030.db2.gz XHGXYZRDHCXSCG-HNNXBMFYSA-N 0 0 389.460 -0.360 20 30 GBEDRN CC(=O)N1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000329974310 1073390855 /nfs/dbraw/zinc/39/08/55/1073390855.db2.gz XHGXYZRDHCXSCG-OAHLLOKOSA-N 0 0 389.460 -0.360 20 30 GBEDRN CC(C)(CNC(=O)CN1CCN(S(C)(=O)=O)CC1)N1CCS(=O)CC1 ZINC000329974648 530291445 /nfs/dbraw/zinc/29/14/45/530291445.db2.gz ZFRLLMTXBRKMRJ-UHFFFAOYSA-N 0 0 394.563 -0.637 20 30 GBEDRN CCNC(=O)N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000329976668 530291591 /nfs/dbraw/zinc/29/15/91/530291591.db2.gz FMGFAETXEZDUOG-LBPRGKRZSA-N 0 0 393.535 -0.123 20 30 GBEDRN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC(=O)N2CCOCC2)o1 ZINC000329976862 1073390987 /nfs/dbraw/zinc/39/09/87/1073390987.db2.gz FRAYQNVDJJELHW-STQMWFEESA-N 0 0 384.412 -0.001 20 30 GBEDRN CN1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@H]21 ZINC000329978193 530291456 /nfs/dbraw/zinc/29/14/56/530291456.db2.gz HCPMBAUEWYLHMH-CHWSQXEVSA-N 0 0 378.520 -0.706 20 30 GBEDRN CN1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@@H]21 ZINC000329978194 530291609 /nfs/dbraw/zinc/29/16/09/530291609.db2.gz HCPMBAUEWYLHMH-QWHCGFSZSA-N 0 0 378.520 -0.706 20 30 GBEDRN CC(=O)N1CC(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000329979557 1073391040 /nfs/dbraw/zinc/39/10/40/1073391040.db2.gz JUOGZHCNLVJDCV-UHFFFAOYSA-N 0 0 395.485 -0.032 20 30 GBEDRN Cn1cc([C@H]2[C@H](C(=O)NCCN3C(=O)CCCC3=O)OCC(=O)N2C)cn1 ZINC000329982441 1073390802 /nfs/dbraw/zinc/39/08/02/1073390802.db2.gz OWWCAXCIFKBEKL-JKSUJKDBSA-N 0 0 377.401 -0.186 20 30 GBEDRN NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[S@@](=O)C3)CC2)cc1 ZINC000329985488 530291537 /nfs/dbraw/zinc/29/15/37/530291537.db2.gz DHSBNDWCOFARIG-OIRASMEMSA-N 0 0 386.499 -0.109 20 30 GBEDRN NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)cc1 ZINC000329985489 530291600 /nfs/dbraw/zinc/29/16/00/530291600.db2.gz DHSBNDWCOFARIG-YYUOZPCZSA-N 0 0 386.499 -0.109 20 30 GBEDRN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC(=O)N2CCOCC2)no1 ZINC000329988292 1073390706 /nfs/dbraw/zinc/39/07/06/1073390706.db2.gz UDQZQOXLTYCFFO-KBPBESRZSA-N 0 0 398.439 -0.005 20 30 GBEDRN CCC(=O)N1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000329999933 530291544 /nfs/dbraw/zinc/29/15/44/530291544.db2.gz VPOKKSLWWJNYBN-GFCCVEGCSA-N 0 0 378.520 -0.121 20 30 GBEDRN CCC(=O)N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000329999934 530291417 /nfs/dbraw/zinc/29/14/17/530291417.db2.gz VPOKKSLWWJNYBN-LBPRGKRZSA-N 0 0 378.520 -0.121 20 30 GBEDRN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000330000468 1073391673 /nfs/dbraw/zinc/39/16/73/1073391673.db2.gz WLKHRHCLLDTPMR-HNNXBMFYSA-N 0 0 381.477 -0.612 20 30 GBEDRN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000330000469 1073391462 /nfs/dbraw/zinc/39/14/62/1073391462.db2.gz WLKHRHCLLDTPMR-OAHLLOKOSA-N 0 0 381.477 -0.612 20 30 GBEDRN Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]c1cnn(CC(=O)N3CCOCC3)c1)CC2 ZINC000330000942 1073391651 /nfs/dbraw/zinc/39/16/51/1073391651.db2.gz XIKMUMIPCFUAHY-CYBMUJFWSA-N 0 0 388.432 -0.017 20 30 GBEDRN Cc1nc2n(n1)C[C@@H](NC([O-])=[NH+]c1cnn(CC(=O)N3CCOCC3)c1)CC2 ZINC000330000943 1073391769 /nfs/dbraw/zinc/39/17/69/1073391769.db2.gz XIKMUMIPCFUAHY-ZDUSSCGKSA-N 0 0 388.432 -0.017 20 30 GBEDRN O=C(Cn1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cn1)N1CCOCC1 ZINC000330005782 1073039792 /nfs/dbraw/zinc/03/97/92/1073039792.db2.gz CFQJLISPBTZRQA-INIZCTEOSA-N 0 0 392.460 -0.306 20 30 GBEDRN O=C(Cn1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1)N1CCOCC1 ZINC000330005783 1073039669 /nfs/dbraw/zinc/03/96/69/1073039669.db2.gz CFQJLISPBTZRQA-MRXNPFEDSA-N 0 0 392.460 -0.306 20 30 GBEDRN O=C(NCCc1ccncc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000330006929 1073392046 /nfs/dbraw/zinc/39/20/46/1073392046.db2.gz FOTHHXNPRUFSEB-UHFFFAOYSA-N 0 0 383.474 -0.267 20 30 GBEDRN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000330014727 1073392245 /nfs/dbraw/zinc/39/22/45/1073392245.db2.gz BBSRUQIMUXGEAE-CABCVRRESA-N 0 0 385.490 -0.081 20 30 GBEDRN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000330014728 1073392356 /nfs/dbraw/zinc/39/23/56/1073392356.db2.gz BBSRUQIMUXGEAE-GJZGRUSLSA-N 0 0 385.490 -0.081 20 30 GBEDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000330022885 1073392439 /nfs/dbraw/zinc/39/24/39/1073392439.db2.gz HTYOHGLQUNYKCK-VIKVFOODSA-N 0 0 395.437 -0.021 20 30 GBEDRN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000330025250 1073392121 /nfs/dbraw/zinc/39/21/21/1073392121.db2.gz KILCEZALZLDQKU-KRWDZBQOSA-N 0 0 395.504 -0.365 20 30 GBEDRN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000330025251 1073392204 /nfs/dbraw/zinc/39/22/04/1073392204.db2.gz KILCEZALZLDQKU-QGZVFWFLSA-N 0 0 395.504 -0.365 20 30 GBEDRN CS(=O)(=O)C1(CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000330035483 530291407 /nfs/dbraw/zinc/29/14/07/530291407.db2.gz XJTKBRJMLTUDDG-GFCCVEGCSA-N 0 0 379.504 -0.023 20 30 GBEDRN CS(=O)(=O)C1(CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000330035484 530291422 /nfs/dbraw/zinc/29/14/22/530291422.db2.gz XJTKBRJMLTUDDG-LBPRGKRZSA-N 0 0 379.504 -0.023 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)cn1C ZINC000330036865 1073393209 /nfs/dbraw/zinc/39/32/09/1073393209.db2.gz CWQMIXQLTJLZFL-UHFFFAOYSA-N 0 0 394.457 -0.021 20 30 GBEDRN CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000330037047 1073392958 /nfs/dbraw/zinc/39/29/58/1073392958.db2.gz CZYKXPMYIHPLSF-HIFRSBDPSA-N 0 0 390.506 -0.059 20 30 GBEDRN CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000330037048 1073393041 /nfs/dbraw/zinc/39/30/41/1073393041.db2.gz CZYKXPMYIHPLSF-ZFWWWQNUSA-N 0 0 390.506 -0.059 20 30 GBEDRN CCNC(=O)N1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330042449 530291395 /nfs/dbraw/zinc/29/13/95/530291395.db2.gz GTJIOWSNGVHEHK-UHFFFAOYSA-N 0 0 396.535 -0.461 20 30 GBEDRN CCNC(=O)N1CC[C@@H](NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330046124 530291437 /nfs/dbraw/zinc/29/14/37/530291437.db2.gz GSTGGTJXVDHRKR-CYBMUJFWSA-N 0 0 396.535 -0.414 20 30 GBEDRN CCNC(=O)N1CC[C@H](NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330046125 530291594 /nfs/dbraw/zinc/29/15/94/530291594.db2.gz GSTGGTJXVDHRKR-ZDUSSCGKSA-N 0 0 396.535 -0.414 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330056280 530292015 /nfs/dbraw/zinc/29/20/15/530292015.db2.gz VPZWBIGKCCVLHY-LLVKDONJSA-N 0 0 375.476 -0.077 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)c1cn([C@H]2CCOC2)nn1 ZINC000330056281 530291796 /nfs/dbraw/zinc/29/17/96/530291796.db2.gz VPZWBIGKCCVLHY-NSHDSACASA-N 0 0 375.476 -0.077 20 30 GBEDRN Cn1ccc(N2CCC[C@@H](NC(=O)N3CCc4c(ncn(C)c4=O)C3)C2=O)n1 ZINC000330059197 1073393435 /nfs/dbraw/zinc/39/34/35/1073393435.db2.gz KOCDUFSHYVJOAU-CYBMUJFWSA-N 0 0 385.428 -0.019 20 30 GBEDRN Cn1ccc(N2CCC[C@H](NC(=O)N3CCc4c(ncn(C)c4=O)C3)C2=O)n1 ZINC000330059198 1073393629 /nfs/dbraw/zinc/39/36/29/1073393629.db2.gz KOCDUFSHYVJOAU-ZDUSSCGKSA-N 0 0 385.428 -0.019 20 30 GBEDRN CN1CCN(C(=O)c2ccc(CNC(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000330065644 1073393910 /nfs/dbraw/zinc/39/39/10/1073393910.db2.gz DDQVTJRTNHUUEN-IRXDYDNUSA-N 0 0 376.457 -0.084 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COCCO3)CC2)cn1C ZINC000330073257 1073393522 /nfs/dbraw/zinc/39/35/22/1073393522.db2.gz KIEHYKYSSYTYNR-CYBMUJFWSA-N 0 0 387.462 -0.636 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COCCO3)CC2)cn1C ZINC000330073258 1073393856 /nfs/dbraw/zinc/39/38/56/1073393856.db2.gz KIEHYKYSSYTYNR-ZDUSSCGKSA-N 0 0 387.462 -0.636 20 30 GBEDRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H](O)C[C@H]1CO ZINC000330074834 1073394373 /nfs/dbraw/zinc/39/43/73/1073394373.db2.gz LJEJWVFHCJSDMO-GJZGRUSLSA-N 0 0 399.469 -0.451 20 30 GBEDRN Cn1cnc2c(c1=O)CCN(C(=O)NCCS(=O)(=O)NCC1CCC1)C2 ZINC000330077798 1073394705 /nfs/dbraw/zinc/39/47/05/1073394705.db2.gz FKABHZWVFYYGMN-UHFFFAOYSA-N 0 0 383.474 -0.228 20 30 GBEDRN CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)C1 ZINC000330079832 530291939 /nfs/dbraw/zinc/29/19/39/530291939.db2.gz IXKRPGBBMAYCJZ-GFCCVEGCSA-N 0 0 378.520 -0.168 20 30 GBEDRN CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 ZINC000330079833 530291805 /nfs/dbraw/zinc/29/18/05/530291805.db2.gz IXKRPGBBMAYCJZ-LBPRGKRZSA-N 0 0 378.520 -0.168 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3cnn(C)c3)CC2)cn1C ZINC000330082131 1073394573 /nfs/dbraw/zinc/39/45/73/1073394573.db2.gz PYFIZSOSPOGOTP-UHFFFAOYSA-N 0 0 381.462 -0.117 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1CCCS1(=O)=O ZINC000330083266 530291895 /nfs/dbraw/zinc/29/18/95/530291895.db2.gz QKAJPEARPOIYFR-LLVKDONJSA-N 0 0 385.533 -0.554 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1CCCS1(=O)=O ZINC000330083269 530291835 /nfs/dbraw/zinc/29/18/35/530291835.db2.gz QKAJPEARPOIYFR-NSHDSACASA-N 0 0 385.533 -0.554 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3nccn3C)CC2)cn1C ZINC000330086474 1073394916 /nfs/dbraw/zinc/39/49/16/1073394916.db2.gz SEPAOMHEVWAQIE-UHFFFAOYSA-N 0 0 381.462 -0.117 20 30 GBEDRN C[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCCC1=O ZINC000330087120 1073395651 /nfs/dbraw/zinc/39/56/51/1073395651.db2.gz MXUGHGBDWSQXNA-LLVKDONJSA-N 0 0 376.417 -0.209 20 30 GBEDRN C[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCCC1=O ZINC000330087122 1073395693 /nfs/dbraw/zinc/39/56/93/1073395693.db2.gz MXUGHGBDWSQXNA-NSHDSACASA-N 0 0 376.417 -0.209 20 30 GBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccnn3C)CC2)cn1C ZINC000330088212 1073395514 /nfs/dbraw/zinc/39/55/14/1073395514.db2.gz UMPTUSNWMWGAPM-UHFFFAOYSA-N 0 0 381.462 -0.117 20 30 GBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000330089285 1073329712 /nfs/dbraw/zinc/32/97/12/1073329712.db2.gz VTAKCAAHZPJGQO-CYBMUJFWSA-N 0 0 376.417 -0.200 20 30 GBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000330089286 1073329962 /nfs/dbraw/zinc/32/99/62/1073329962.db2.gz VTAKCAAHZPJGQO-ZDUSSCGKSA-N 0 0 376.417 -0.200 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)N1CCc2n[nH]c(=O)cc2C1 ZINC000330089689 530292025 /nfs/dbraw/zinc/29/20/25/530292025.db2.gz WBFOMTGYNQELPS-UHFFFAOYSA-N 0 0 387.487 -0.167 20 30 GBEDRN Cn1ccnc1N1CCC(NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330089723 1073395565 /nfs/dbraw/zinc/39/55/65/1073395565.db2.gz OXCNCNYPXFRXDJ-UHFFFAOYSA-N 0 0 384.506 -0.077 20 30 GBEDRN CS(=O)(=O)N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000330104564 1073395152 /nfs/dbraw/zinc/39/51/52/1073395152.db2.gz HQLAMEXXCUIJQE-UHFFFAOYSA-N 0 0 383.474 -0.091 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330117780 530291988 /nfs/dbraw/zinc/29/19/88/530291988.db2.gz XLWQJCLTBDICBI-CYBMUJFWSA-N 0 0 390.531 -0.024 20 30 GBEDRN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000330117781 530291829 /nfs/dbraw/zinc/29/18/29/530291829.db2.gz XLWQJCLTBDICBI-ZDUSSCGKSA-N 0 0 390.531 -0.024 20 30 GBEDRN CCN1CCN(CC(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)C(=O)C1=O ZINC000330120719 1073396634 /nfs/dbraw/zinc/39/66/34/1073396634.db2.gz BEBHQYNSDHWRAG-GFCCVEGCSA-N 0 0 376.417 -0.437 20 30 GBEDRN CCN1CCN(CC(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)C(=O)C1=O ZINC000330120720 1073396104 /nfs/dbraw/zinc/39/61/04/1073396104.db2.gz BEBHQYNSDHWRAG-LBPRGKRZSA-N 0 0 376.417 -0.437 20 30 GBEDRN CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330122889 530292012 /nfs/dbraw/zinc/29/20/12/530292012.db2.gz ALHXWMDVKRODLU-CYBMUJFWSA-N 0 0 375.495 -0.970 20 30 GBEDRN CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330122894 530291912 /nfs/dbraw/zinc/29/19/12/530291912.db2.gz ALHXWMDVKRODLU-ZDUSSCGKSA-N 0 0 375.495 -0.970 20 30 GBEDRN COCC(=O)NC1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330130109 530292195 /nfs/dbraw/zinc/29/21/95/530292195.db2.gz FCAHZIIYPNHHPX-UHFFFAOYSA-N 0 0 383.492 -0.725 20 30 GBEDRN O=C(N[C@@H]1CCCSC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000330135304 530138536 /nfs/dbraw/zinc/13/85/36/530138536.db2.gz SMFLZGUVKTWFPU-CYBMUJFWSA-N 0 0 378.520 -0.009 20 30 GBEDRN O=C(N[C@H]1CCCSC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000330135305 530138406 /nfs/dbraw/zinc/13/84/06/530138406.db2.gz SMFLZGUVKTWFPU-ZDUSSCGKSA-N 0 0 378.520 -0.009 20 30 GBEDRN CCN1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1=O ZINC000330159213 1073397529 /nfs/dbraw/zinc/39/75/29/1073397529.db2.gz QTJOJGWYKYHBOK-UHFFFAOYSA-N 0 0 383.430 -0.230 20 30 GBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000330160455 1073398521 /nfs/dbraw/zinc/39/85/21/1073398521.db2.gz RDHBZCRXPWTJRB-HNNXBMFYSA-N 0 0 389.456 -0.222 20 30 GBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000330160456 1073398304 /nfs/dbraw/zinc/39/83/04/1073398304.db2.gz RDHBZCRXPWTJRB-OAHLLOKOSA-N 0 0 389.456 -0.222 20 30 GBEDRN CC[C@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 ZINC000330162098 530292215 /nfs/dbraw/zinc/29/22/15/530292215.db2.gz ADIRASDQBYAQKF-OLZOCXBDSA-N 0 0 376.479 -0.497 20 30 GBEDRN CC[C@H](NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 ZINC000330162099 530292332 /nfs/dbraw/zinc/29/23/32/530292332.db2.gz ADIRASDQBYAQKF-STQMWFEESA-N 0 0 376.479 -0.497 20 30 GBEDRN CS(=O)(=O)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000330163354 530292340 /nfs/dbraw/zinc/29/23/40/530292340.db2.gz ATFFDKSDGOZBLN-GFCCVEGCSA-N 0 0 399.560 -0.355 20 30 GBEDRN CS(=O)(=O)C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000330163355 530292300 /nfs/dbraw/zinc/29/23/00/530292300.db2.gz ATFFDKSDGOZBLN-LBPRGKRZSA-N 0 0 399.560 -0.355 20 30 GBEDRN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330166484 1073398436 /nfs/dbraw/zinc/39/84/36/1073398436.db2.gz YCUKAUNQEZPDSZ-KBPBESRZSA-N 0 0 390.444 -0.348 20 30 GBEDRN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330166485 1073398183 /nfs/dbraw/zinc/39/81/83/1073398183.db2.gz YCUKAUNQEZPDSZ-KGLIPLIRSA-N 0 0 390.444 -0.348 20 30 GBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000330168568 530292177 /nfs/dbraw/zinc/29/21/77/530292177.db2.gz WIQNFSFOEMCREO-UHFFFAOYSA-N 0 0 382.508 -0.313 20 30 GBEDRN O=C(CN1CCOCC1)N1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330189377 1073399460 /nfs/dbraw/zinc/39/94/60/1073399460.db2.gz LTDRFTIXXNBMIO-HNNXBMFYSA-N 0 0 376.461 -0.412 20 30 GBEDRN O=C(CN1CCOCC1)N1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330189378 1073399237 /nfs/dbraw/zinc/39/92/37/1073399237.db2.gz LTDRFTIXXNBMIO-OAHLLOKOSA-N 0 0 376.461 -0.412 20 30 GBEDRN COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)[C@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000330199173 1073399648 /nfs/dbraw/zinc/39/96/48/1073399648.db2.gz UZKVDSWCEZGGCX-NEPJUHHUSA-N 0 0 386.478 -0.381 20 30 GBEDRN COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000330199174 1073399363 /nfs/dbraw/zinc/39/93/63/1073399363.db2.gz UZKVDSWCEZGGCX-VXGBXAGGSA-N 0 0 386.478 -0.381 20 30 GBEDRN CN(C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330202682 1073400914 /nfs/dbraw/zinc/40/09/14/1073400914.db2.gz ZPQHJGOLLAGGGL-GXTWGEPZSA-N 0 0 398.489 -0.205 20 30 GBEDRN CN(C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330202683 1073400802 /nfs/dbraw/zinc/40/08/02/1073400802.db2.gz ZPQHJGOLLAGGGL-TZMCWYRMSA-N 0 0 398.489 -0.205 20 30 GBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC3CC(F)(F)C3)CC2)CC1 ZINC000330226093 530292568 /nfs/dbraw/zinc/29/25/68/530292568.db2.gz BISGCIJVBBNSGA-UHFFFAOYSA-N 0 0 381.449 -0.192 20 30 GBEDRN 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Cc1oc(NC(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c1C ZINC000438668074 1072901137 /nfs/dbraw/zinc/90/11/37/1072901137.db2.gz MDPNNCDAFNSZPX-LBPRGKRZSA-N 0 0 382.442 -0.058 20 30 GBEDRN CCOC(=O)CCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000438739802 1072906922 /nfs/dbraw/zinc/90/69/22/1072906922.db2.gz MGDJLFOVVHZNGW-UHFFFAOYSA-N 0 0 384.396 0.548 20 30 GBEDRN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000438745206 1072907342 /nfs/dbraw/zinc/90/73/42/1072907342.db2.gz OZIQGPOBXLOQNE-UHFFFAOYSA-N 0 0 381.458 -0.373 20 30 GBEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000438878981 1072917625 /nfs/dbraw/zinc/91/76/25/1072917625.db2.gz SZWJWYNKJYRVBB-CYBMUJFWSA-N 0 0 393.469 -0.020 20 30 GBEDRN C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000438878984 1072917639 /nfs/dbraw/zinc/91/76/39/1072917639.db2.gz SZWJWYNKJYRVBB-ZDUSSCGKSA-N 0 0 393.469 -0.020 20 30 GBEDRN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC3(C#N)CCC3)c2c1 ZINC000438914180 1072921339 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ZINC000440096783 1072987718 /nfs/dbraw/zinc/98/77/18/1072987718.db2.gz ZRXWSITZVVZIQP-HNNXBMFYSA-N 0 0 394.409 -0.601 20 30 GBEDRN COc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440096825 1072987876 /nfs/dbraw/zinc/98/78/76/1072987876.db2.gz ZRXWSITZVVZIQP-OAHLLOKOSA-N 0 0 394.409 -0.601 20 30 GBEDRN COCC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000440108602 1072988686 /nfs/dbraw/zinc/98/86/86/1072988686.db2.gz REYRZANCBZATNG-LLVKDONJSA-N 0 0 375.360 0.335 20 30 GBEDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000440108606 1072988723 /nfs/dbraw/zinc/98/87/23/1072988723.db2.gz REYRZANCBZATNG-NSHDSACASA-N 0 0 375.360 0.335 20 30 GBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cn1 ZINC000440108960 1073510119 /nfs/dbraw/zinc/51/01/19/1073510119.db2.gz RFJIADXXSRQPNF-UHFFFAOYSA-N 0 0 398.423 -0.185 20 30 GBEDRN N#Cc1cccc(CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 ZINC000440123857 1072990268 /nfs/dbraw/zinc/99/02/68/1072990268.db2.gz 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30 GBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O ZINC000440259598 1072995514 /nfs/dbraw/zinc/99/55/14/1072995514.db2.gz LDKGLTVBYFIUSJ-CYBMUJFWSA-N 0 0 380.426 -0.482 20 30 GBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O ZINC000440259599 1072995260 /nfs/dbraw/zinc/99/52/60/1072995260.db2.gz LDKGLTVBYFIUSJ-ZDUSSCGKSA-N 0 0 380.426 -0.482 20 30 GBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1=O ZINC000440260191 1072995376 /nfs/dbraw/zinc/99/53/76/1072995376.db2.gz YHTVSAVUOOQIEF-GFCCVEGCSA-N 0 0 380.426 -0.331 20 30 GBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1=O ZINC000440260192 1072995485 /nfs/dbraw/zinc/99/54/85/1072995485.db2.gz YHTVSAVUOOQIEF-LBPRGKRZSA-N 0 0 380.426 -0.331 20 30 GBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1=O ZINC000440261204 1072995361 /nfs/dbraw/zinc/99/53/61/1072995361.db2.gz XEZKVHICBSHKQY-AWEZNQCLSA-N 0 0 394.453 -0.222 20 30 GBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1=O 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CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC001651720818 1071527652 /nfs/dbraw/zinc/52/76/52/1071527652.db2.gz RFDUXYGARAQZJA-CYBMUJFWSA-N 0 0 378.410 -0.470 20 30 GBEDRN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC001651720819 1071527296 /nfs/dbraw/zinc/52/72/96/1071527296.db2.gz RFDUXYGARAQZJA-ZDUSSCGKSA-N 0 0 378.410 -0.470 20 30 GBEDRN COCCN(C(=O)Cn1nc(C)c(C)c(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001651727598 1071527177 /nfs/dbraw/zinc/52/71/77/1071527177.db2.gz WQGKSVDBJCASDZ-CYBMUJFWSA-N 0 0 382.442 -0.606 20 30 GBEDRN COCCN(C(=O)Cn1nc(C)c(C)c(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001651727599 1071527195 /nfs/dbraw/zinc/52/71/95/1071527195.db2.gz WQGKSVDBJCASDZ-ZDUSSCGKSA-N 0 0 382.442 -0.606 20 30 GBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@H](NC(=O)NC)C1)c1ccn[nH]1 ZINC001651738457 1071527511 /nfs/dbraw/zinc/52/75/11/1071527511.db2.gz JQGZQHMPQJVNTO-LLVKDONJSA-N 0 0 380.405 -0.387 20 30 GBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@H](NC(=O)NC)C1)c1ccn[nH]1 ZINC001651738458 1071527686 /nfs/dbraw/zinc/52/76/86/1071527686.db2.gz JQGZQHMPQJVNTO-NSHDSACASA-N 0 0 380.405 -0.387 20 30 GBEDRN C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC001651763776 1071528696 /nfs/dbraw/zinc/52/86/96/1071528696.db2.gz KFKZCQBGSYUIBR-UHFFFAOYSA-N 0 0 387.845 -0.133 20 30 GBEDRN C=CCC1(O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC001651764113 1071528745 /nfs/dbraw/zinc/52/87/45/1071528745.db2.gz OZALHJZXWRCRQB-UHFFFAOYSA-N 0 0 381.454 -0.066 20 30 GBEDRN N#Cc1cn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nn1 ZINC001652015853 1071533559 /nfs/dbraw/zinc/53/35/59/1071533559.db2.gz HOEDGKVFVPECQE-UHFFFAOYSA-N 0 0 390.425 -0.513 20 30 GBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc1 ZINC001652037486 1071534103 /nfs/dbraw/zinc/53/41/03/1071534103.db2.gz PLNNUOGQKIVYLJ-UHFFFAOYSA-N 0 0 399.494 -0.248 20 30 GBEDRN N#Cc1cn(CCO)c(=O)n(CC(=O)c2ccc(N3CCCC3=O)cc2)c1=O ZINC001652099884 1071534981 /nfs/dbraw/zinc/53/49/81/1071534981.db2.gz IEDNXQLBPVQXTO-UHFFFAOYSA-N 0 0 382.376 -0.116 20 30 GBEDRN CN(C)S(=O)(=O)c1ccc(Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 ZINC001652099980 1071535137 /nfs/dbraw/zinc/53/51/37/1071535137.db2.gz LZISXNIBNJIOEZ-UHFFFAOYSA-N 0 0 378.410 -0.827 20 30 GBEDRN CC(=O)NCCc1ccc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 ZINC001652100054 1071535025 /nfs/dbraw/zinc/53/50/25/1071535025.db2.gz OEYPHFFJNMOCRS-UHFFFAOYSA-N 0 0 384.392 -0.565 20 30 GBEDRN Cc1cccc(N2CCN(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)CC2)c1 ZINC001652100072 1071535072 /nfs/dbraw/zinc/53/50/72/1071535072.db2.gz OTWCSHAPPAVGLG-UHFFFAOYSA-N 0 0 397.435 -0.469 20 30 GBEDRN C#CCNS(=O)(=O)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC001652162044 1071535821 /nfs/dbraw/zinc/53/58/21/1071535821.db2.gz GQBRTQORWPQBPX-UHFFFAOYSA-N 0 0 381.414 -0.456 20 30 GBEDRN C#CCNS(=O)(=O)N1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001652162823 1071535676 /nfs/dbraw/zinc/53/56/76/1071535676.db2.gz UEGWLPZBNDKSQT-UHFFFAOYSA-N 0 0 382.398 -0.029 20 30 GBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(O)(COCCO)CC2)cc1 ZINC001652164632 1071536769 /nfs/dbraw/zinc/53/67/69/1071536769.db2.gz OSIJHCVPGDKGRD-UHFFFAOYSA-N 0 0 397.453 -0.801 20 30 GBEDRN Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)n1CCO ZINC001652166974 1071536564 /nfs/dbraw/zinc/53/65/64/1071536564.db2.gz NBLSDJFQHXFWGY-UHFFFAOYSA-N 0 0 399.407 -0.477 20 30 GBEDRN Cc1c(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCC(=O)N3C)c(=O)n1CCO ZINC001652167518 1071536737 /nfs/dbraw/zinc/53/67/37/1071536737.db2.gz RTOYZUPQNFFLNG-UHFFFAOYSA-N 0 0 396.403 -0.026 20 30 GBEDRN COCc1ccccc1CNC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O ZINC001652167819 1071536718 /nfs/dbraw/zinc/53/67/18/1071536718.db2.gz VDCITJACTXPBFG-UHFFFAOYSA-N 0 0 386.408 -0.355 20 30 GBEDRN Cc1c(C#N)c(=O)n(Cc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n1CCO ZINC001652167871 1071536607 /nfs/dbraw/zinc/53/66/07/1071536607.db2.gz WAGRIOIDJBEXDO-UHFFFAOYSA-N 0 0 392.437 -0.519 20 30 GBEDRN CN(Cc1ccccc1)C(=O)CNC(=O)CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC001652212392 1071536829 /nfs/dbraw/zinc/53/68/29/1071536829.db2.gz OSQFYGGTBNERQY-UHFFFAOYSA-N 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COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001665727758 1071732424 /nfs/dbraw/zinc/73/24/24/1071732424.db2.gz GVJSQKYQPZXESX-XPCVCDNBSA-N 0 0 390.483 -0.082 20 30 GBEDRN CC(C)(CCS(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(C)(=O)=O ZINC001665728056 1071732398 /nfs/dbraw/zinc/73/23/98/1071732398.db2.gz RELIALKVTUDSHU-AAEUAGOBSA-N 0 0 398.528 -0.600 20 30 GBEDRN COC(=O)c1cncc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001665728480 1071732318 /nfs/dbraw/zinc/73/23/18/1071732318.db2.gz ZHSAJJCPZKJSHX-FZMZJTMJSA-N 0 0 385.423 -0.573 20 30 GBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC001665749978 1071733075 /nfs/dbraw/zinc/73/30/75/1071733075.db2.gz FRCMQMGTYQZZDM-UHFFFAOYSA-N 0 0 386.430 -0.529 20 30 GBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C3CC3)nn2C)CC1 ZINC001665750035 1071733194 /nfs/dbraw/zinc/73/31/94/1071733194.db2.gz HAHPNWMSMUSNPU-UHFFFAOYSA-N 0 0 387.487 -0.929 20 30 GBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnn3ccccc23)CC1 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