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CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000410866025 1073979980 /nfs/dbraw/zinc/97/99/80/1073979980.db2.gz RRXPDENUHGPSGS-GJZGRUSLSA-N 0 0 386.493 -1.411 20 0 GAADRN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000410866026 1075656418 /nfs/dbraw/zinc/65/64/18/1075656418.db2.gz RRXPDENUHGPSGS-HUUCEWRRSA-N 0 0 386.493 -1.411 20 0 GAADRN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000410866027 1075656378 /nfs/dbraw/zinc/65/63/78/1075656378.db2.gz RRXPDENUHGPSGS-LSDHHAIUSA-N 0 0 386.493 -1.411 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CCOC1 ZINC000410866066 1075656667 /nfs/dbraw/zinc/65/66/67/1075656667.db2.gz XNPSSKHSZPRTCG-CYBMUJFWSA-N 0 0 395.420 -2.392 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CCOC1 ZINC000410866069 1075656588 /nfs/dbraw/zinc/65/65/88/1075656588.db2.gz XNPSSKHSZPRTCG-ZDUSSCGKSA-N 0 0 395.420 -2.392 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCOC)[C@@H]2CCOC2)C1 ZINC000410866132 530092873 /nfs/dbraw/zinc/09/28/73/530092873.db2.gz XRTWLTRUHCPUDX-CHWSQXEVSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCOC)[C@@H]2CCOC2)C1 ZINC000410866135 530093174 /nfs/dbraw/zinc/09/31/74/530093174.db2.gz XRTWLTRUHCPUDX-OLZOCXBDSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCOC)[C@H]2CCOC2)C1 ZINC000410866136 530092858 /nfs/dbraw/zinc/09/28/58/530092858.db2.gz XRTWLTRUHCPUDX-QWHCGFSZSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCOC)[C@H]2CCOC2)C1 ZINC000410866137 530092906 /nfs/dbraw/zinc/09/29/06/530092906.db2.gz XRTWLTRUHCPUDX-STQMWFEESA-N 0 0 377.463 -1.210 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@@H]1CCOC1 ZINC000410866152 1073979918 /nfs/dbraw/zinc/97/99/18/1073979918.db2.gz XUDACEJTSFKTFJ-CYBMUJFWSA-N 0 0 379.417 -1.141 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@H]1CCOC1 ZINC000410866153 1075656430 /nfs/dbraw/zinc/65/64/30/1075656430.db2.gz XUDACEJTSFKTFJ-ZDUSSCGKSA-N 0 0 379.417 -1.141 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[C@@H]1CCOC1 ZINC000410866582 1075656396 /nfs/dbraw/zinc/65/63/96/1075656396.db2.gz ZCOZZZYFYHYJSZ-LLVKDONJSA-N 0 0 384.462 -0.967 20 0 GAADRN COCCN(C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[C@H]1CCOC1 ZINC000410866583 1075656302 /nfs/dbraw/zinc/65/63/02/1075656302.db2.gz ZCOZZZYFYHYJSZ-NSHDSACASA-N 0 0 384.462 -0.967 20 0 GAADRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000410866642 1073979899 /nfs/dbraw/zinc/97/98/99/1073979899.db2.gz VCBNXLHQOBGAAO-LLVKDONJSA-N 0 0 376.404 -1.116 20 0 GAADRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000410866645 1075656383 /nfs/dbraw/zinc/65/63/83/1075656383.db2.gz VCBNXLHQOBGAAO-NSHDSACASA-N 0 0 376.404 -1.116 20 0 GAADRN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000410866872 1075656364 /nfs/dbraw/zinc/65/63/64/1075656364.db2.gz VTPMEGJPXMYGGT-CVEARBPZSA-N 0 0 398.504 -1.267 20 0 GAADRN C[C@H](O)CN(C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H](C)CO ZINC000410866873 1073979810 /nfs/dbraw/zinc/97/98/10/1073979810.db2.gz VTPMEGJPXMYGGT-HOTGVXAUSA-N 0 0 398.504 -1.267 20 0 GAADRN C[C@@H](O)CN(C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H](C)CO ZINC000410866874 1073979866 /nfs/dbraw/zinc/97/98/66/1073979866.db2.gz VTPMEGJPXMYGGT-HZPDHXFCSA-N 0 0 398.504 -1.267 20 0 GAADRN C[C@@H](O)CN(C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H](C)CO ZINC000410866875 1075656311 /nfs/dbraw/zinc/65/63/11/1075656311.db2.gz VTPMEGJPXMYGGT-JKSUJKDBSA-N 0 0 398.504 -1.267 20 0 GAADRN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000410867361 1075656422 /nfs/dbraw/zinc/65/64/22/1075656422.db2.gz ZCYZCONQAFUODZ-HZSPNIEDSA-N 0 0 384.477 -1.612 20 0 GAADRN C[C@H](O)CN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H](C)CO ZINC000410867362 1075656287 /nfs/dbraw/zinc/65/62/87/1075656287.db2.gz ZCYZCONQAFUODZ-IHRRRGAJSA-N 0 0 384.477 -1.612 20 0 GAADRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000410867363 1075656406 /nfs/dbraw/zinc/65/64/06/1075656406.db2.gz ZCYZCONQAFUODZ-MELADBBJSA-N 0 0 384.477 -1.612 20 0 GAADRN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000410867364 1075656343 /nfs/dbraw/zinc/65/63/43/1075656343.db2.gz ZCYZCONQAFUODZ-RDBSUJKOSA-N 0 0 384.477 -1.612 20 0 GAADRN COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](CO)CC(C)C)CC1 ZINC000410867783 1073979942 /nfs/dbraw/zinc/97/99/42/1073979942.db2.gz BVFWMEOWQDDWHX-HNNXBMFYSA-N 0 0 386.493 -1.241 20 0 GAADRN COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H](CO)CC(C)C)CC1 ZINC000410867784 1073979836 /nfs/dbraw/zinc/97/98/36/1073979836.db2.gz BVFWMEOWQDDWHX-OAHLLOKOSA-N 0 0 386.493 -1.241 20 0 GAADRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CCO1 ZINC000410868207 1075657416 /nfs/dbraw/zinc/65/74/16/1075657416.db2.gz FMSFFWUDBLRSCO-GFCCVEGCSA-N 0 0 384.433 -1.944 20 0 GAADRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CCO1 ZINC000410868208 1075657450 /nfs/dbraw/zinc/65/74/50/1075657450.db2.gz FMSFFWUDBLRSCO-LBPRGKRZSA-N 0 0 384.433 -1.944 20 0 GAADRN CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000410868614 1075657493 /nfs/dbraw/zinc/65/74/93/1075657493.db2.gz ISRPTSDHKWUBGO-INIZCTEOSA-N 0 0 398.504 -1.145 20 0 GAADRN CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000410868615 1073979859 /nfs/dbraw/zinc/97/98/59/1073979859.db2.gz ISRPTSDHKWUBGO-MRXNPFEDSA-N 0 0 398.504 -1.145 20 0 GAADRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000410869046 1075657477 /nfs/dbraw/zinc/65/74/77/1075657477.db2.gz LDJAABVNICGSPS-UHFFFAOYSA-N 0 0 397.432 -2.762 20 0 GAADRN CCCCN(CCCO)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000410869167 1075657534 /nfs/dbraw/zinc/65/75/34/1075657534.db2.gz BIISGHRRGQQRNA-UHFFFAOYSA-N 0 0 382.461 -1.053 20 0 GAADRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC000410871311 1073979888 /nfs/dbraw/zinc/97/98/88/1073979888.db2.gz QVFJARWOEXWKKM-UHFFFAOYSA-N 0 0 385.465 -1.188 20 0 GAADRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000410871960 1075657483 /nfs/dbraw/zinc/65/74/83/1075657483.db2.gz SYRWODHWEZUNDF-GASCZTMLSA-N 0 0 398.504 -1.004 20 0 GAADRN CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000410872625 1075656989 /nfs/dbraw/zinc/65/69/89/1075656989.db2.gz VDENNCYWHSLFSY-INIZCTEOSA-N 0 0 398.504 -1.145 20 0 GAADRN CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000410872626 1075657453 /nfs/dbraw/zinc/65/74/53/1075657453.db2.gz VDENNCYWHSLFSY-MRXNPFEDSA-N 0 0 398.504 -1.145 20 0 GAADRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)CC1 ZINC000410872889 1073979766 /nfs/dbraw/zinc/97/97/66/1073979766.db2.gz VTPRRXVRROOFTH-AWEZNQCLSA-N 0 0 384.477 -1.393 20 0 GAADRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)CC1 ZINC000410872896 1073979876 /nfs/dbraw/zinc/97/98/76/1073979876.db2.gz VTPRRXVRROOFTH-CQSZACIVSA-N 0 0 384.477 -1.393 20 0 GAADRN CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000410873048 1075657070 /nfs/dbraw/zinc/65/70/70/1075657070.db2.gz WEBABGHPHGICRP-AWEZNQCLSA-N 0 0 382.461 -1.199 20 0 GAADRN CC(C)C[C@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000410873055 1073979823 /nfs/dbraw/zinc/97/98/23/1073979823.db2.gz WEBABGHPHGICRP-CQSZACIVSA-N 0 0 382.461 -1.199 20 0 GAADRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)CC2)C1 ZINC000410884315 1073980434 /nfs/dbraw/zinc/98/04/34/1073980434.db2.gz BYSQAULQYSPOTI-AWEZNQCLSA-N 0 0 390.506 -1.341 20 0 GAADRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)CC2)C1 ZINC000410884316 1073980481 /nfs/dbraw/zinc/98/04/81/1073980481.db2.gz BYSQAULQYSPOTI-CQSZACIVSA-N 0 0 390.506 -1.341 20 0 GAADRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)CC1 ZINC000410885148 1073980452 /nfs/dbraw/zinc/98/04/52/1073980452.db2.gz DHPPGYBNFWVZLK-AWEZNQCLSA-N 0 0 390.506 -1.341 20 0 GAADRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)CN2CCOCC2)CC1 ZINC000410885149 1073980472 /nfs/dbraw/zinc/98/04/72/1073980472.db2.gz DHPPGYBNFWVZLK-CQSZACIVSA-N 0 0 390.506 -1.341 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000410887218 1075657541 /nfs/dbraw/zinc/65/75/41/1075657541.db2.gz HRMWSRDTRPMHLN-HZSPNIEDSA-N 0 0 390.506 -1.560 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000410887219 1075657435 /nfs/dbraw/zinc/65/74/35/1075657435.db2.gz HRMWSRDTRPMHLN-MJBXVCDLSA-N 0 0 390.506 -1.560 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000410887651 1075658223 /nfs/dbraw/zinc/65/82/23/1075658223.db2.gz JALNZVUUAHNCQS-CYBMUJFWSA-N 0 0 388.490 -1.147 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000410887652 1073980425 /nfs/dbraw/zinc/98/04/25/1073980425.db2.gz JALNZVUUAHNCQS-ZDUSSCGKSA-N 0 0 388.490 -1.147 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000410887817 530092843 /nfs/dbraw/zinc/09/28/43/530092843.db2.gz 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388.306 -1.453 20 0 GAADRN Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C(F)(F)F ZINC000442008660 1074197391 /nfs/dbraw/zinc/19/73/91/1074197391.db2.gz ZLWSGUUCOGQUHF-ZETCQYMHSA-N 0 0 388.306 -1.453 20 0 GAADRN O=C(Nc1cccnc1-n1cccn1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442008790 1074197479 /nfs/dbraw/zinc/19/74/79/1074197479.db2.gz XTMJNSLAFZCXQU-NSHDSACASA-N 0 0 383.368 -1.625 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C ZINC000442009329 1074197417 /nfs/dbraw/zinc/19/74/17/1074197417.db2.gz YGSUELMMWIAKJW-GFCCVEGCSA-N 0 0 388.380 -1.111 20 0 GAADRN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442009332 1074197604 /nfs/dbraw/zinc/19/76/04/1074197604.db2.gz XXGCEGNBWSMSRB-JTQLQIEISA-N 0 0 383.368 -1.421 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C ZINC000442009333 1074197578 /nfs/dbraw/zinc/19/75/78/1074197578.db2.gz YGSUELMMWIAKJW-LBPRGKRZSA-N 0 0 388.380 -1.111 20 0 GAADRN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442009341 1074197445 /nfs/dbraw/zinc/19/74/45/1074197445.db2.gz XXGCEGNBWSMSRB-SNVBAGLBSA-N 0 0 383.368 -1.421 20 0 GAADRN C[C@](O)(CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)CN1CCOCC1 ZINC000442011524 1074197397 /nfs/dbraw/zinc/19/73/97/1074197397.db2.gz MIIRIRRYFATUFG-KRWDZBQOSA-N 0 0 389.416 -1.200 20 0 GAADRN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)CN1CCOCC1 ZINC000442011527 1074197427 /nfs/dbraw/zinc/19/74/27/1074197427.db2.gz MIIRIRRYFATUFG-QGZVFWFLSA-N 0 0 389.416 -1.200 20 0 GAADRN NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 ZINC000442015853 1074196460 /nfs/dbraw/zinc/19/64/60/1074196460.db2.gz WHQHOITWZIABHF-SECBINFHSA-N 0 0 377.332 -1.968 20 0 GAADRN NC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 ZINC000442015855 1074196610 /nfs/dbraw/zinc/19/66/10/1074196610.db2.gz WHQHOITWZIABHF-VIFPVBQESA-N 0 0 377.332 -1.968 20 0 GAADRN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442015873 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JRPJWBAHFFYKBK-NSHDSACASA-N 0 0 388.319 -1.498 20 0 GAADRN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000442017944 1074197097 /nfs/dbraw/zinc/19/70/97/1074197097.db2.gz URVWQWLQQCONKY-GFCCVEGCSA-N 0 0 390.352 -1.061 20 0 GAADRN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000442017945 1074197079 /nfs/dbraw/zinc/19/70/79/1074197079.db2.gz URVWQWLQQCONKY-LBPRGKRZSA-N 0 0 390.352 -1.061 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCO1 ZINC000442021044 1074198063 /nfs/dbraw/zinc/19/80/63/1074198063.db2.gz SVDIPLYCKSYTNX-CYBMUJFWSA-N 0 0 377.401 -1.170 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCO1 ZINC000442021051 1074197986 /nfs/dbraw/zinc/19/79/86/1074197986.db2.gz SVDIPLYCKSYTNX-ZDUSSCGKSA-N 0 0 377.401 -1.170 20 0 GAADRN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000442021510 1074198066 /nfs/dbraw/zinc/19/80/66/1074198066.db2.gz AGOSYCQPNCZZND-GFCCVEGCSA-N 0 0 390.352 -1.061 20 0 GAADRN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000442021513 1074197999 /nfs/dbraw/zinc/19/79/99/1074197999.db2.gz AGOSYCQPNCZZND-LBPRGKRZSA-N 0 0 390.352 -1.061 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000442022092 1074198038 /nfs/dbraw/zinc/19/80/38/1074198038.db2.gz AWEHOZCIWXWVQG-LLVKDONJSA-N 0 0 391.384 -1.556 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000442022094 1074198091 /nfs/dbraw/zinc/19/80/91/1074198091.db2.gz AWEHOZCIWXWVQG-NSHDSACASA-N 0 0 391.384 -1.556 20 0 GAADRN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1-n1cnnn1 ZINC000442033377 1074198104 /nfs/dbraw/zinc/19/81/04/1074198104.db2.gz XUQVXDWUFDPLIJ-GFCCVEGCSA-N 0 0 384.356 -1.328 20 0 GAADRN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1-n1cnnn1 ZINC000442033380 1074198079 /nfs/dbraw/zinc/19/80/79/1074198079.db2.gz XUQVXDWUFDPLIJ-LBPRGKRZSA-N 0 0 384.356 -1.328 20 0 GAADRN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)c1=O 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DVGGVOOQARNPLE-NSHDSACASA-N 0 0 377.357 -1.192 20 0 GAADRN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2n(C)c1=O ZINC000442041298 1074197983 /nfs/dbraw/zinc/19/79/83/1074197983.db2.gz GZMOTLBLNJRQBH-GFCCVEGCSA-N 0 0 386.368 -1.422 20 0 GAADRN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2n(C)c1=O ZINC000442041302 1074197974 /nfs/dbraw/zinc/19/79/74/1074197974.db2.gz GZMOTLBLNJRQBH-LBPRGKRZSA-N 0 0 386.368 -1.422 20 0 GAADRN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2C1=O ZINC000442043297 1074198709 /nfs/dbraw/zinc/19/87/09/1074198709.db2.gz MBVBAHOOHOTQBA-LLVKDONJSA-N 0 0 385.336 -1.387 20 0 GAADRN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2C1=O ZINC000442043306 1074198642 /nfs/dbraw/zinc/19/86/42/1074198642.db2.gz MBVBAHOOHOTQBA-NSHDSACASA-N 0 0 385.336 -1.387 20 0 GAADRN COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cn1 ZINC000442048224 1074198716 /nfs/dbraw/zinc/19/87/16/1074198716.db2.gz ORSXCMGLPMHBAD-LLVKDONJSA-N 0 0 377.357 -1.192 20 0 GAADRN COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000442048227 1074198629 /nfs/dbraw/zinc/19/86/29/1074198629.db2.gz ORSXCMGLPMHBAD-NSHDSACASA-N 0 0 377.357 -1.192 20 0 GAADRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442048497 1074198496 /nfs/dbraw/zinc/19/84/96/1074198496.db2.gz XACIKCWZHJNUHV-MRVPVSSYSA-N 0 0 377.361 -1.748 20 0 GAADRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442048504 1074198514 /nfs/dbraw/zinc/19/85/14/1074198514.db2.gz XACIKCWZHJNUHV-QMMMGPOBSA-N 0 0 377.361 -1.748 20 0 GAADRN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)cn1 ZINC000442051313 1074198108 /nfs/dbraw/zinc/19/81/08/1074198108.db2.gz FDSXQPFENZCKDB-GFCCVEGCSA-N 0 0 394.432 -1.337 20 0 GAADRN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)cn1 ZINC000442051315 1074197970 /nfs/dbraw/zinc/19/79/70/1074197970.db2.gz FDSXQPFENZCKDB-LBPRGKRZSA-N 0 0 394.432 -1.337 20 0 GAADRN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cn1 ZINC000442051528 1074198070 /nfs/dbraw/zinc/19/80/70/1074198070.db2.gz FQUPYXHJLUAKEU-GFCCVEGCSA-N 0 0 380.449 -1.129 20 0 GAADRN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cn1 ZINC000442051529 1074198050 /nfs/dbraw/zinc/19/80/50/1074198050.db2.gz FQUPYXHJLUAKEU-LBPRGKRZSA-N 0 0 380.449 -1.129 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053691 530120825 /nfs/dbraw/zinc/12/08/25/530120825.db2.gz ILECFTQIQOCXRD-GHMZBOCLSA-N 0 0 378.451 -2.125 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053695 530121230 /nfs/dbraw/zinc/12/12/30/530121230.db2.gz ILECFTQIQOCXRD-MNOVXSKESA-N 0 0 378.451 -2.125 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053698 530121148 /nfs/dbraw/zinc/12/11/48/530121148.db2.gz ILECFTQIQOCXRD-QWRGUYRKSA-N 0 0 378.451 -2.125 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053702 530121335 /nfs/dbraw/zinc/12/13/35/530121335.db2.gz ILECFTQIQOCXRD-WDEREUQCSA-N 0 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CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000467169403 1073743702 /nfs/dbraw/zinc/74/37/02/1073743702.db2.gz MOFNBZFMJKSCJO-VIFPVBQESA-N 0 0 392.372 -2.296 20 0 GAADRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000467172017 1075674962 /nfs/dbraw/zinc/67/49/62/1075674962.db2.gz MSXYHUMQPPUSFK-SECBINFHSA-N 0 0 387.418 -1.185 20 0 GAADRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000467172019 1075674864 /nfs/dbraw/zinc/67/48/64/1075674864.db2.gz MSXYHUMQPPUSFK-VIFPVBQESA-N 0 0 387.418 -1.185 20 0 GAADRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000467172155 1075674957 /nfs/dbraw/zinc/67/49/57/1075674957.db2.gz NGBYGOWOKANGBR-UHFFFAOYSA-N 0 0 381.389 -1.148 20 0 GAADRN Cn1cc(-c2ncccc2NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 ZINC000467172959 1075674858 /nfs/dbraw/zinc/67/48/58/1075674858.db2.gz ZWXFRCJEMINFCH-GFCCVEGCSA-N 0 0 397.395 -1.410 20 0 GAADRN Cn1cc(-c2ncccc2NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 ZINC000467172960 1075674911 /nfs/dbraw/zinc/67/49/11/1075674911.db2.gz ZWXFRCJEMINFCH-LBPRGKRZSA-N 0 0 397.395 -1.410 20 0 GAADRN Cn1ccnc(N2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1=O ZINC000467173189 1073749075 /nfs/dbraw/zinc/74/90/75/1073749075.db2.gz OYHDAAREAUAUCX-UHFFFAOYSA-N 0 0 389.416 -2.235 20 0 GAADRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCO)CCN1CCOCC1 ZINC000467179613 1075674868 /nfs/dbraw/zinc/67/48/68/1075674868.db2.gz BFRCPXVVPCIGGM-UHFFFAOYSA-N 0 0 397.432 -1.312 20 0 GAADRN C[C@@H](C[S@](C)=O)N(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467184880 1073767223 /nfs/dbraw/zinc/76/72/23/1073767223.db2.gz YAGBNJRHCCHHST-HAWMADMCSA-N 0 0 388.534 -1.312 20 0 GAADRN C[C@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467184881 1073767306 /nfs/dbraw/zinc/76/73/06/1073767306.db2.gz YAGBNJRHCCHHST-PVPMGCCUSA-N 0 0 388.534 -1.312 20 0 GAADRN C[C@@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467184882 1073767128 /nfs/dbraw/zinc/76/71/28/1073767128.db2.gz YAGBNJRHCCHHST-QWXGXRTQSA-N 0 0 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-1.322 20 0 GAADRN CC(=O)[C@H](NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C(C)C ZINC000467288355 1075675215 /nfs/dbraw/zinc/67/52/15/1075675215.db2.gz NXXXWBOOPJWFMS-MRXNPFEDSA-N 0 0 380.449 -1.322 20 0 GAADRN CCOCCS(=O)(=O)NCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000467291086 530129966 /nfs/dbraw/zinc/12/99/66/530129966.db2.gz UJGLTSPVQMABPC-UHFFFAOYSA-N 0 0 378.495 -1.389 20 0 GAADRN CCCCNC(=O)NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467294610 1075675177 /nfs/dbraw/zinc/67/51/77/1075675177.db2.gz AXRKXBMSTUWMDQ-UHFFFAOYSA-N 0 0 381.437 -1.426 20 0 GAADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NCC(=O)NC(C)(C)C)C2 ZINC000467295155 1075675267 /nfs/dbraw/zinc/67/52/67/1075675267.db2.gz JOQHANZRLZYRLG-UHFFFAOYSA-N 0 0 395.464 -2.021 20 0 GAADRN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1nnnn1C ZINC000467297174 1074617602 /nfs/dbraw/zinc/61/76/02/1074617602.db2.gz MWEKKLFBEZDYOT-UHFFFAOYSA-N 0 0 380.453 -2.355 20 0 GAADRN COC(=O)CN(C)C(=O)CCN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467297268 1075675311 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ZINC000612191596 1073714960 /nfs/dbraw/zinc/71/49/60/1073714960.db2.gz RWIUONUTULSWMV-STQMWFEESA-N 0 0 391.490 -1.516 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000612191624 530113055 /nfs/dbraw/zinc/11/30/55/530113055.db2.gz SGKYUCWBIJBEGV-CHWSQXEVSA-N 0 0 378.447 -1.695 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000612191625 530113138 /nfs/dbraw/zinc/11/31/38/530113138.db2.gz SGKYUCWBIJBEGV-OLZOCXBDSA-N 0 0 378.447 -1.695 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000612191626 530113002 /nfs/dbraw/zinc/11/30/02/530113002.db2.gz SGKYUCWBIJBEGV-QWHCGFSZSA-N 0 0 378.447 -1.695 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000612191627 530112941 /nfs/dbraw/zinc/11/29/41/530112941.db2.gz SGKYUCWBIJBEGV-STQMWFEESA-N 0 0 378.447 -1.695 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(CNC(C)=O)cc1 ZINC000612191730 1073719008 /nfs/dbraw/zinc/71/90/08/1073719008.db2.gz 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CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000612196677 530113087 /nfs/dbraw/zinc/11/30/87/530113087.db2.gz NLRBISREAKSMLS-NEPJUHHUSA-N 0 0 377.463 -1.858 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000612196678 530113018 /nfs/dbraw/zinc/11/30/18/530113018.db2.gz NLRBISREAKSMLS-NWDGAFQWSA-N 0 0 377.463 -1.858 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000612196679 530113099 /nfs/dbraw/zinc/11/30/99/530113099.db2.gz NLRBISREAKSMLS-RYUDHWBXSA-N 0 0 377.463 -1.858 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000612196680 530113132 /nfs/dbraw/zinc/11/31/32/530113132.db2.gz NLRBISREAKSMLS-VXGBXAGGSA-N 0 0 377.463 -1.858 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000612196714 1073721985 /nfs/dbraw/zinc/72/19/85/1073721985.db2.gz PVZISIAFMRHLOK-FPMFFAJLSA-N 0 0 384.458 -1.261 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000612196715 1073721994 /nfs/dbraw/zinc/72/19/94/1073721994.db2.gz PVZISIAFMRHLOK-IACUBPJLSA-N 0 0 384.458 -1.261 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000612196716 1073722079 /nfs/dbraw/zinc/72/20/79/1073722079.db2.gz PVZISIAFMRHLOK-KWCYVHTRSA-N 0 0 384.458 -1.261 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000612196717 1073722185 /nfs/dbraw/zinc/72/21/85/1073722185.db2.gz PVZISIAFMRHLOK-MRVWCRGKSA-N 0 0 384.458 -1.261 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000612196829 530113040 /nfs/dbraw/zinc/11/30/40/530113040.db2.gz RJHWDWYXWROQTG-AXFHLTTASA-N 0 0 397.475 -2.545 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000612196830 530113085 /nfs/dbraw/zinc/11/30/85/530113085.db2.gz RJHWDWYXWROQTG-DCAQKATOSA-N 0 0 397.475 -2.545 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000612196873 1073722007 /nfs/dbraw/zinc/72/20/07/1073722007.db2.gz NXTQFRACLNPFCE-NEPJUHHUSA-N 0 0 383.430 -1.947 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000612196874 1073721969 /nfs/dbraw/zinc/72/19/69/1073721969.db2.gz NXTQFRACLNPFCE-NWDGAFQWSA-N 0 0 383.430 -1.947 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000612196875 1073722034 /nfs/dbraw/zinc/72/20/34/1073722034.db2.gz NXTQFRACLNPFCE-RYUDHWBXSA-N 0 0 383.430 -1.947 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000612196876 1073722016 /nfs/dbraw/zinc/72/20/16/1073722016.db2.gz NXTQFRACLNPFCE-VXGBXAGGSA-N 0 0 383.430 -1.947 20 0 GAADRN CCC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000612196908 530113122 /nfs/dbraw/zinc/11/31/22/530113122.db2.gz OEOOKYVWPCLVAM-NEPJUHHUSA-N 0 0 375.447 -1.615 20 0 GAADRN CCC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000612196909 530113028 /nfs/dbraw/zinc/11/30/28/530113028.db2.gz OEOOKYVWPCLVAM-NWDGAFQWSA-N 0 0 375.447 -1.615 20 0 GAADRN CCC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000612196911 530113332 /nfs/dbraw/zinc/11/33/32/530113332.db2.gz OEOOKYVWPCLVAM-RYUDHWBXSA-N 0 0 375.447 -1.615 20 0 GAADRN CCC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000612196912 530113507 /nfs/dbraw/zinc/11/35/07/530113507.db2.gz OEOOKYVWPCLVAM-VXGBXAGGSA-N 0 0 375.447 -1.615 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000612196917 1073721561 /nfs/dbraw/zinc/72/15/61/1073721561.db2.gz OGAGDAMOJBRHJT-CHWSQXEVSA-N 0 0 399.473 -2.008 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000612196918 1073721473 /nfs/dbraw/zinc/72/14/73/1073721473.db2.gz OGAGDAMOJBRHJT-OLZOCXBDSA-N 0 0 399.473 -2.008 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000612196919 1073722090 /nfs/dbraw/zinc/72/20/90/1073722090.db2.gz OGAGDAMOJBRHJT-QWHCGFSZSA-N 0 0 399.473 -2.008 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000612196920 1073722042 /nfs/dbraw/zinc/72/20/42/1073722042.db2.gz OGAGDAMOJBRHJT-STQMWFEESA-N 0 0 399.473 -2.008 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612196998 1073722022 /nfs/dbraw/zinc/72/20/22/1073722022.db2.gz OSGHNLZXYROATH-KBPBESRZSA-N 0 0 385.442 -1.148 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612196999 1073722176 /nfs/dbraw/zinc/72/21/76/1073722176.db2.gz OSGHNLZXYROATH-KGLIPLIRSA-N 0 0 385.442 -1.148 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000612197000 530113076 /nfs/dbraw/zinc/11/30/76/530113076.db2.gz RJHWDWYXWROQTG-GARJFASQSA-N 0 0 397.475 -2.545 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000612197001 530113042 /nfs/dbraw/zinc/11/30/42/530113042.db2.gz RJHWDWYXWROQTG-HBNTYKKESA-N 0 0 397.475 -2.545 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612197133 1073721550 /nfs/dbraw/zinc/72/15/50/1073721550.db2.gz OSGHNLZXYROATH-UONOGXRCSA-N 0 0 385.442 -1.148 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612197134 1073721641 /nfs/dbraw/zinc/72/16/41/1073721641.db2.gz OSGHNLZXYROATH-ZIAGYGMSSA-N 0 0 385.442 -1.148 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000612197178 1073721671 /nfs/dbraw/zinc/72/16/71/1073721671.db2.gz PERUUGGDACYVNJ-CHWSQXEVSA-N 0 0 389.474 -1.369 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000612197179 1073721603 /nfs/dbraw/zinc/72/16/03/1073721603.db2.gz PERUUGGDACYVNJ-OLZOCXBDSA-N 0 0 389.474 -1.369 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000612197180 1073721650 /nfs/dbraw/zinc/72/16/50/1073721650.db2.gz PERUUGGDACYVNJ-QWHCGFSZSA-N 0 0 389.474 -1.369 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000612197181 1073721609 /nfs/dbraw/zinc/72/16/09/1073721609.db2.gz PERUUGGDACYVNJ-STQMWFEESA-N 0 0 389.474 -1.369 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000612197256 1073723702 /nfs/dbraw/zinc/72/37/02/1073723702.db2.gz UQYOXALXXVPRTD-CHWSQXEVSA-N 0 0 385.446 -2.003 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000612197257 1073723757 /nfs/dbraw/zinc/72/37/57/1073723757.db2.gz UQYOXALXXVPRTD-OLZOCXBDSA-N 0 0 385.446 -2.003 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000612197258 1073723689 /nfs/dbraw/zinc/72/36/89/1073723689.db2.gz UQYOXALXXVPRTD-QWHCGFSZSA-N 0 0 385.446 -2.003 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000612197259 1073723595 /nfs/dbraw/zinc/72/35/95/1073723595.db2.gz UQYOXALXXVPRTD-STQMWFEESA-N 0 0 385.446 -2.003 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000612197547 1073721484 /nfs/dbraw/zinc/72/14/84/1073721484.db2.gz RTXZDZWTGKCZGD-CABCVRRESA-N 0 0 397.453 -1.031 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000612197548 1073721679 /nfs/dbraw/zinc/72/16/79/1073721679.db2.gz RTXZDZWTGKCZGD-GJZGRUSLSA-N 0 0 397.453 -1.031 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000612197549 1073721703 /nfs/dbraw/zinc/72/17/03/1073721703.db2.gz RTXZDZWTGKCZGD-HUUCEWRRSA-N 0 0 397.453 -1.031 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000612197550 1073721569 /nfs/dbraw/zinc/72/15/69/1073721569.db2.gz RTXZDZWTGKCZGD-LSDHHAIUSA-N 0 0 397.453 -1.031 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612197917 1073722583 /nfs/dbraw/zinc/72/25/83/1073722583.db2.gz URKPMYKBQDKNNP-CHWSQXEVSA-N 0 0 382.442 -1.342 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612197918 1073723041 /nfs/dbraw/zinc/72/30/41/1073723041.db2.gz URKPMYKBQDKNNP-OLZOCXBDSA-N 0 0 382.442 -1.342 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612197919 1073723085 /nfs/dbraw/zinc/72/30/85/1073723085.db2.gz URKPMYKBQDKNNP-QWHCGFSZSA-N 0 0 382.442 -1.342 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612197920 1073723108 /nfs/dbraw/zinc/72/31/08/1073723108.db2.gz URKPMYKBQDKNNP-STQMWFEESA-N 0 0 382.442 -1.342 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000612198260 1073723036 /nfs/dbraw/zinc/72/30/36/1073723036.db2.gz VKITUGUYOKLQRP-FRRDWIJNSA-N 0 0 387.458 -1.472 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000612198263 1073723100 /nfs/dbraw/zinc/72/31/00/1073723100.db2.gz VKITUGUYOKLQRP-JHJVBQTASA-N 0 0 387.458 -1.472 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000612198264 1073723071 /nfs/dbraw/zinc/72/30/71/1073723071.db2.gz VKITUGUYOKLQRP-RWMBFGLXSA-N 0 0 387.458 -1.472 20 0 GAADRN 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378.476 -1.009 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1)c(=O)n2C ZINC000615768813 1074680989 /nfs/dbraw/zinc/68/09/89/1074680989.db2.gz BPOJYJIVSUXROG-LLVKDONJSA-N 0 0 395.441 -1.531 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)N1CCS(=O)(=O)C[C@H]1C1CC1)c(=O)n2C ZINC000615768818 1074680974 /nfs/dbraw/zinc/68/09/74/1074680974.db2.gz BPOJYJIVSUXROG-NSHDSACASA-N 0 0 395.441 -1.531 20 0 GAADRN Cn1c2ncn(CC(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)c2c(=O)n(C)c1=O ZINC000615770788 1074680959 /nfs/dbraw/zinc/68/09/59/1074680959.db2.gz PMEKOYMAHHTDST-LLVKDONJSA-N 0 0 395.441 -1.531 20 0 GAADRN Cn1c2ncn(CC(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)c2c(=O)n(C)c1=O ZINC000615770790 1074680987 /nfs/dbraw/zinc/68/09/87/1074680987.db2.gz PMEKOYMAHHTDST-NSHDSACASA-N 0 0 395.441 -1.531 20 0 GAADRN Cn1cc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cn1 ZINC000615772472 530169082 /nfs/dbraw/zinc/16/90/82/530169082.db2.gz IFKKMNUUOMATGC-GFCCVEGCSA-N 0 0 376.460 -1.266 20 0 GAADRN Cn1cc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cn1 ZINC000615772475 530168641 /nfs/dbraw/zinc/16/86/41/530168641.db2.gz IFKKMNUUOMATGC-LBPRGKRZSA-N 0 0 376.460 -1.266 20 0 GAADRN Cn1cnc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)c1 ZINC000615779823 530169032 /nfs/dbraw/zinc/16/90/32/530169032.db2.gz OOSVCUAHASJCDV-LLVKDONJSA-N 0 0 376.460 -1.266 20 0 GAADRN Cn1cnc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1 ZINC000615779824 530168915 /nfs/dbraw/zinc/16/89/15/530168915.db2.gz OOSVCUAHASJCDV-NSHDSACASA-N 0 0 376.460 -1.266 20 0 GAADRN CS(=O)(=O)N1CCN(CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)CC1 ZINC000615781195 530168631 /nfs/dbraw/zinc/16/86/31/530168631.db2.gz XJQBFTARUDIRJP-CYBMUJFWSA-N 0 0 379.504 -1.401 20 0 GAADRN CS(=O)(=O)N1CCN(CC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)CC1 ZINC000615781205 530168766 /nfs/dbraw/zinc/16/87/66/530168766.db2.gz XJQBFTARUDIRJP-ZDUSSCGKSA-N 0 0 379.504 -1.401 20 0 GAADRN Cn1ncc2c1ncn(CC(=O)NCCN1CCN(c3ncccn3)CC1)c2=O ZINC000615795948 1074680858 /nfs/dbraw/zinc/68/08/58/1074680858.db2.gz SIFYIXBDVKSZGF-UHFFFAOYSA-N 0 0 397.443 -1.142 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)NCCN1CCN(c2ncccn2)CC1 ZINC000615799430 1074680939 /nfs/dbraw/zinc/68/09/39/1074680939.db2.gz LARWSYYPPIGVLQ-UHFFFAOYSA-N 0 0 382.490 -1.555 20 0 GAADRN Cn1c2ncn(CC(=O)N3CCN(c4ncns4)CC3)c2c(=O)n(C)c1=O ZINC000615809638 1074680926 /nfs/dbraw/zinc/68/09/26/1074680926.db2.gz FFSCASYDDPCLFM-UHFFFAOYSA-N 0 0 390.429 -1.366 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3ncns3)CC1)c(=O)n2C ZINC000615811763 1074681460 /nfs/dbraw/zinc/68/14/60/1074681460.db2.gz YZLIAOHSPAHVQR-UHFFFAOYSA-N 0 0 390.429 -1.366 20 0 GAADRN CCN(CCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)S(C)(=O)=O ZINC000615827362 530168868 /nfs/dbraw/zinc/16/88/68/530168868.db2.gz JCVUQGDKRKLLLF-UHFFFAOYSA-N 0 0 399.539 -1.208 20 0 GAADRN CC1[C@H](C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[C@H]1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000615851206 1074681475 /nfs/dbraw/zinc/68/14/75/1074681475.db2.gz RZWNKNKXYHGBOB-IWTNGPMKSA-N 0 0 388.380 -2.670 20 0 GAADRN CCOC(=O)c1n[nH]c(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 ZINC000615917128 1074681325 /nfs/dbraw/zinc/68/13/25/1074681325.db2.gz KPVYLICASKJJMF-UHFFFAOYSA-N 0 0 387.356 -1.143 20 0 GAADRN CCOC(=O)c1n[nH]c(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000615917377 1074681493 /nfs/dbraw/zinc/68/14/93/1074681493.db2.gz LTWYXVRVAIGLPV-UHFFFAOYSA-N 0 0 387.356 -1.143 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000615922017 530169225 /nfs/dbraw/zinc/16/92/25/530169225.db2.gz DZOKIQUDXSBFOO-KBPBESRZSA-N 0 0 394.515 -1.089 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000615922047 530169708 /nfs/dbraw/zinc/16/97/08/530169708.db2.gz DZOKIQUDXSBFOO-KGLIPLIRSA-N 0 0 394.515 -1.089 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000615922049 530169398 /nfs/dbraw/zinc/16/93/98/530169398.db2.gz DZOKIQUDXSBFOO-UONOGXRCSA-N 0 0 394.515 -1.089 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000615922051 530169633 /nfs/dbraw/zinc/16/96/33/530169633.db2.gz DZOKIQUDXSBFOO-ZIAGYGMSSA-N 0 0 394.515 -1.089 20 0 GAADRN Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615936452 530169699 /nfs/dbraw/zinc/16/96/99/530169699.db2.gz GSFZGEOYNILINK-JTQLQIEISA-N 0 0 391.475 -1.175 20 0 GAADRN Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615936453 530169694 /nfs/dbraw/zinc/16/96/94/530169694.db2.gz GSFZGEOYNILINK-SNVBAGLBSA-N 0 0 391.475 -1.175 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615937127 530169405 /nfs/dbraw/zinc/16/94/05/530169405.db2.gz DHPCRRIANIGRPK-JTQLQIEISA-N 0 0 377.448 -1.483 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000615937134 530169386 /nfs/dbraw/zinc/16/93/86/530169386.db2.gz DHPCRRIANIGRPK-SNVBAGLBSA-N 0 0 377.448 -1.483 20 0 GAADRN CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)co1 ZINC000615937173 530169410 /nfs/dbraw/zinc/16/94/10/530169410.db2.gz DPJGTAZNDJEYJK-JTQLQIEISA-N 0 0 380.448 -1.025 20 0 GAADRN CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)co1 ZINC000615937175 530169688 /nfs/dbraw/zinc/16/96/88/530169688.db2.gz DPJGTAZNDJEYJK-SNVBAGLBSA-N 0 0 380.448 -1.025 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000615937937 530169635 /nfs/dbraw/zinc/16/96/35/530169635.db2.gz WFYIHUGBEDUUCE-GHMZBOCLSA-N 0 0 383.496 -1.924 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000615937938 530169478 /nfs/dbraw/zinc/16/94/78/530169478.db2.gz WFYIHUGBEDUUCE-MNOVXSKESA-N 0 0 383.496 -1.924 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000615937939 530169243 /nfs/dbraw/zinc/16/92/43/530169243.db2.gz WFYIHUGBEDUUCE-QWRGUYRKSA-N 0 0 383.496 -1.924 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000615937940 530169665 /nfs/dbraw/zinc/16/96/65/530169665.db2.gz WFYIHUGBEDUUCE-WDEREUQCSA-N 0 0 383.496 -1.924 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615938694 530169391 /nfs/dbraw/zinc/16/93/91/530169391.db2.gz OVSOMJJLPYBSEN-JTQLQIEISA-N 0 0 377.448 -1.483 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000615938696 530169678 /nfs/dbraw/zinc/16/96/78/530169678.db2.gz OVSOMJJLPYBSEN-SNVBAGLBSA-N 0 0 377.448 -1.483 20 0 GAADRN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cn1 ZINC000615939878 530169299 /nfs/dbraw/zinc/16/92/99/530169299.db2.gz YSZJVKZELCOPQJ-LLVKDONJSA-N 0 0 391.475 -1.223 20 0 GAADRN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cn1 ZINC000615939879 530169488 /nfs/dbraw/zinc/16/94/88/530169488.db2.gz YSZJVKZELCOPQJ-NSHDSACASA-N 0 0 391.475 -1.223 20 0 GAADRN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615940927 1074681442 /nfs/dbraw/zinc/68/14/42/1074681442.db2.gz KFFGMGJIBJZYSC-NEPJUHHUSA-N 0 0 391.494 -1.433 20 0 GAADRN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615940928 1074681406 /nfs/dbraw/zinc/68/14/06/1074681406.db2.gz KFFGMGJIBJZYSC-NWDGAFQWSA-N 0 0 391.494 -1.433 20 0 GAADRN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615940929 1074681456 /nfs/dbraw/zinc/68/14/56/1074681456.db2.gz KFFGMGJIBJZYSC-RYUDHWBXSA-N 0 0 391.494 -1.433 20 0 GAADRN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615940930 1074681283 /nfs/dbraw/zinc/68/12/83/1074681283.db2.gz KFFGMGJIBJZYSC-VXGBXAGGSA-N 0 0 391.494 -1.433 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000615942417 1074681419 /nfs/dbraw/zinc/68/14/19/1074681419.db2.gz VKSZLXOVEWUTMG-CYBMUJFWSA-N 0 0 396.473 -1.194 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000615942418 1074681517 /nfs/dbraw/zinc/68/15/17/1074681517.db2.gz VKSZLXOVEWUTMG-ZDUSSCGKSA-N 0 0 396.473 -1.194 20 0 GAADRN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615942649 530169712 /nfs/dbraw/zinc/16/97/12/530169712.db2.gz YWDORODXCXNVJO-JTQLQIEISA-N 0 0 391.475 -1.024 20 0 GAADRN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615942651 530169674 /nfs/dbraw/zinc/16/96/74/530169674.db2.gz YWDORODXCXNVJO-SNVBAGLBSA-N 0 0 391.475 -1.024 20 0 GAADRN Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 ZINC000615943848 530169656 /nfs/dbraw/zinc/16/96/56/530169656.db2.gz BGJYEEPACCLSBB-JTQLQIEISA-N 0 0 394.479 -2.127 20 0 GAADRN Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 ZINC000615943849 530169341 /nfs/dbraw/zinc/16/93/41/530169341.db2.gz BGJYEEPACCLSBB-SNVBAGLBSA-N 0 0 394.479 -2.127 20 0 GAADRN CS(=O)(=O)N1CCN(CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)CC1 ZINC000615943997 530169680 /nfs/dbraw/zinc/16/96/80/530169680.db2.gz CCPSCAKDYSEZRI-GFCCVEGCSA-N 0 0 397.523 -2.262 20 0 GAADRN CS(=O)(=O)N1CCN(CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)CC1 ZINC000615944006 530169702 /nfs/dbraw/zinc/16/97/02/530169702.db2.gz CCPSCAKDYSEZRI-LBPRGKRZSA-N 0 0 397.523 -2.262 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000615944135 1074766559 /nfs/dbraw/zinc/76/65/59/1074766559.db2.gz INMNXRWEPHCWHY-AWEZNQCLSA-N 0 0 399.473 -1.111 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000615944142 1074681310 /nfs/dbraw/zinc/68/13/10/1074681310.db2.gz INMNXRWEPHCWHY-CQSZACIVSA-N 0 0 399.473 -1.111 20 0 GAADRN COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615945521 530169670 /nfs/dbraw/zinc/16/96/70/530169670.db2.gz MEAOPNBGYOMSRU-LLVKDONJSA-N 0 0 386.496 -1.884 20 0 GAADRN COCCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615945530 530169677 /nfs/dbraw/zinc/16/96/77/530169677.db2.gz MEAOPNBGYOMSRU-NSHDSACASA-N 0 0 386.496 -1.884 20 0 GAADRN CN(CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O)c1ncnc2nc[nH]c21 ZINC000615945977 1074681447 /nfs/dbraw/zinc/68/14/47/1074681447.db2.gz VALISTQVIHMORE-JTQLQIEISA-N 0 0 382.450 -1.037 20 0 GAADRN CN(CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O)c1ncnc2nc[nH]c21 ZINC000615945978 1074681373 /nfs/dbraw/zinc/68/13/73/1074681373.db2.gz VALISTQVIHMORE-SNVBAGLBSA-N 0 0 382.450 -1.037 20 0 GAADRN CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615946955 530169619 /nfs/dbraw/zinc/16/96/19/530169619.db2.gz VHGYYLGPJPCXOI-LLVKDONJSA-N 0 0 386.496 -1.884 20 0 GAADRN CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615946956 530169660 /nfs/dbraw/zinc/16/96/60/530169660.db2.gz VHGYYLGPJPCXOI-NSHDSACASA-N 0 0 386.496 -1.884 20 0 GAADRN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)o1 ZINC000615947802 530169683 /nfs/dbraw/zinc/16/96/83/530169683.db2.gz AXAFGFGFQFTRNL-SECBINFHSA-N 0 0 380.448 -1.025 20 0 GAADRN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)o1 ZINC000615947803 530169427 /nfs/dbraw/zinc/16/94/27/530169427.db2.gz AXAFGFGFQFTRNL-VIFPVBQESA-N 0 0 380.448 -1.025 20 0 GAADRN Cn1cc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cn1 ZINC000615948359 530169649 /nfs/dbraw/zinc/16/96/49/530169649.db2.gz GRELETJIIHKNFR-JTQLQIEISA-N 0 0 394.479 -2.127 20 0 GAADRN Cn1cc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cn1 ZINC000615948360 530169706 /nfs/dbraw/zinc/16/97/06/530169706.db2.gz GRELETJIIHKNFR-SNVBAGLBSA-N 0 0 394.479 -2.127 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000615948739 1074681963 /nfs/dbraw/zinc/68/19/63/1074681963.db2.gz IZSVYEQJMGDDFZ-LLVKDONJSA-N 0 0 380.430 -1.034 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000615948753 1074681996 /nfs/dbraw/zinc/68/19/96/1074681996.db2.gz IZSVYEQJMGDDFZ-NSHDSACASA-N 0 0 380.430 -1.034 20 0 GAADRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)C1=O ZINC000615948891 1074681387 /nfs/dbraw/zinc/68/13/87/1074681387.db2.gz JLEPTVBRFSTSHU-ABAIWWIYSA-N 0 0 387.462 -1.119 20 0 GAADRN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)C1=O ZINC000615948896 1074681356 /nfs/dbraw/zinc/68/13/56/1074681356.db2.gz JLEPTVBRFSTSHU-IAQYHMDHSA-N 0 0 387.462 -1.119 20 0 GAADRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)C1=O ZINC000615948897 1074681412 /nfs/dbraw/zinc/68/14/12/1074681412.db2.gz JLEPTVBRFSTSHU-NHYWBVRUSA-N 0 0 387.462 -1.119 20 0 GAADRN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)C1=O ZINC000615948898 1074681972 /nfs/dbraw/zinc/68/19/72/1074681972.db2.gz JLEPTVBRFSTSHU-XHDPSFHLSA-N 0 0 387.462 -1.119 20 0 GAADRN Cn1c2ncc(C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)cc2c(=O)[nH]c1=O ZINC000615949077 1074682031 /nfs/dbraw/zinc/68/20/31/1074682031.db2.gz LEYLFHVJAZCPBU-JTQLQIEISA-N 0 0 396.429 -1.178 20 0 GAADRN Cn1c2ncc(C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)cc2c(=O)[nH]c1=O ZINC000615949078 1074682019 /nfs/dbraw/zinc/68/20/19/1074682019.db2.gz LEYLFHVJAZCPBU-SNVBAGLBSA-N 0 0 396.429 -1.178 20 0 GAADRN CN1CC(=O)N(CCCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)C1=O ZINC000615949283 530169437 /nfs/dbraw/zinc/16/94/37/530169437.db2.gz PGECSRIRQPXWKU-LLVKDONJSA-N 0 0 375.451 -1.165 20 0 GAADRN CN1CC(=O)N(CCCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)C1=O ZINC000615949284 530169504 /nfs/dbraw/zinc/16/95/04/530169504.db2.gz PGECSRIRQPXWKU-NSHDSACASA-N 0 0 375.451 -1.165 20 0 GAADRN CCN1CCN(CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)C(=O)C1=O 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387.466 -1.257 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615951720 530169584 /nfs/dbraw/zinc/16/95/84/530169584.db2.gz AIGQYGIENROHHE-LLVKDONJSA-N 0 0 391.475 -1.466 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC000615951722 530169482 /nfs/dbraw/zinc/16/94/82/530169482.db2.gz AIGQYGIENROHHE-NSHDSACASA-N 0 0 391.475 -1.466 20 0 GAADRN Nc1ncnc2c1ncn2CCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615954746 1074681976 /nfs/dbraw/zinc/68/19/76/1074681976.db2.gz RZRPTMFEIWLBCX-JTQLQIEISA-N 0 0 382.450 -1.027 20 0 GAADRN Nc1ncnc2c1ncn2CCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615954747 1074681931 /nfs/dbraw/zinc/68/19/31/1074681931.db2.gz RZRPTMFEIWLBCX-SNVBAGLBSA-N 0 0 382.450 -1.027 20 0 GAADRN CC1CN(C(=O)C2(n3cnnn3)CC2)CCN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000616002663 1074681890 /nfs/dbraw/zinc/68/18/90/1074681890.db2.gz JIYNFEGVRFUKSO-UHFFFAOYSA-N 0 0 386.420 -1.355 20 0 GAADRN CN(C)C(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000616049971 530169605 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1074847927 /nfs/dbraw/zinc/84/79/27/1074847927.db2.gz UHWGTVFMAIDUMT-OAHLLOKOSA-N 0 0 389.460 -1.299 20 0 GAADRN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625569857 1074847838 /nfs/dbraw/zinc/84/78/38/1074847838.db2.gz HNYCKNQPDYSFCP-AWEZNQCLSA-N 0 0 377.449 -1.301 20 0 GAADRN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625569859 1074848013 /nfs/dbraw/zinc/84/80/13/1074848013.db2.gz HNYCKNQPDYSFCP-CQSZACIVSA-N 0 0 377.449 -1.301 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)CCO1 ZINC000625569920 1073561995 /nfs/dbraw/zinc/56/19/95/1073561995.db2.gz INGLCVMYBQXYFZ-KBPBESRZSA-N 0 0 385.465 -1.678 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)CN2CCOCC2)CCO1 ZINC000625569922 1073562032 /nfs/dbraw/zinc/56/20/32/1073562032.db2.gz INGLCVMYBQXYFZ-KGLIPLIRSA-N 0 0 385.465 -1.678 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)CCO1 ZINC000625569925 1073562214 /nfs/dbraw/zinc/56/22/14/1073562214.db2.gz INGLCVMYBQXYFZ-UONOGXRCSA-N 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ZINC000625571164 1074848222 /nfs/dbraw/zinc/84/82/22/1074848222.db2.gz SSRSZRUPLFBLRR-GFCCVEGCSA-N 0 0 397.461 -1.940 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625571165 1074848263 /nfs/dbraw/zinc/84/82/63/1074848263.db2.gz SSRSZRUPLFBLRR-LBPRGKRZSA-N 0 0 397.461 -1.940 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625571756 530075643 /nfs/dbraw/zinc/07/56/43/530075643.db2.gz YOFKHJMFBQJZDR-GHMZBOCLSA-N 0 0 376.435 -2.371 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625571757 530075670 /nfs/dbraw/zinc/07/56/70/530075670.db2.gz YOFKHJMFBQJZDR-MNOVXSKESA-N 0 0 376.435 -2.371 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625571759 530075773 /nfs/dbraw/zinc/07/57/73/530075773.db2.gz YOFKHJMFBQJZDR-QWRGUYRKSA-N 0 0 376.435 -2.371 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625571761 530075479 /nfs/dbraw/zinc/07/54/79/530075479.db2.gz YOFKHJMFBQJZDR-WDEREUQCSA-N 0 0 376.435 -2.371 20 0 GAADRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc3oc(=O)n(C)c3c2)CCO1 ZINC000625582535 1074848957 /nfs/dbraw/zinc/84/89/57/1074848957.db2.gz SLIFPHJFTXAXNV-CYBMUJFWSA-N 0 0 376.369 -1.279 20 0 GAADRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc3oc(=O)n(C)c3c2)CCO1 ZINC000625582538 1073562693 /nfs/dbraw/zinc/56/26/93/1073562693.db2.gz SLIFPHJFTXAXNV-ZDUSSCGKSA-N 0 0 376.369 -1.279 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000625583634 1074849236 /nfs/dbraw/zinc/84/92/36/1074849236.db2.gz WDFZOEJHMAUOLN-NEPJUHHUSA-N 0 0 385.465 -1.096 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000625583636 1074849243 /nfs/dbraw/zinc/84/92/43/1074849243.db2.gz WDFZOEJHMAUOLN-NWDGAFQWSA-N 0 0 385.465 -1.096 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000625583638 1074849204 /nfs/dbraw/zinc/84/92/04/1074849204.db2.gz WDFZOEJHMAUOLN-RYUDHWBXSA-N 0 0 385.465 -1.096 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)CCO1 ZINC000625583639 1074849175 /nfs/dbraw/zinc/84/91/75/1074849175.db2.gz WDFZOEJHMAUOLN-VXGBXAGGSA-N 0 0 385.465 -1.096 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CCO1 ZINC000625585106 1074849257 /nfs/dbraw/zinc/84/92/57/1074849257.db2.gz IGUTURFCFKAFNV-AWEZNQCLSA-N 0 0 399.492 -1.288 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CCO1 ZINC000625585107 1074849301 /nfs/dbraw/zinc/84/93/01/1074849301.db2.gz IGUTURFCFKAFNV-CQSZACIVSA-N 0 0 399.492 -1.288 20 0 GAADRN NS(=O)(=O)NC1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000625585835 530075698 /nfs/dbraw/zinc/07/56/98/530075698.db2.gz CCOCXMDYSRHULT-UHFFFAOYSA-N 0 0 394.519 -1.025 20 0 GAADRN NS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000625585869 530075614 /nfs/dbraw/zinc/07/56/14/530075614.db2.gz DDIPKMBGMVOJDG-UHFFFAOYSA-N 0 0 387.447 -1.392 20 0 GAADRN NS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000625585951 530075611 /nfs/dbraw/zinc/07/56/11/530075611.db2.gz FMGGTINNUPZIDT-UHFFFAOYSA-N 0 0 387.447 -1.392 20 0 GAADRN NS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000625586170 530075517 /nfs/dbraw/zinc/07/55/17/530075517.db2.gz ISQNZAUDTYUQAG-UHFFFAOYSA-N 0 0 388.471 -1.081 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CCO1 ZINC000625586391 1074848938 /nfs/dbraw/zinc/84/89/38/1074848938.db2.gz HZQLEHPHCSJEMZ-DZGCQCFKSA-N 0 0 392.460 -1.033 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CCO1 ZINC000625586393 1074848854 /nfs/dbraw/zinc/84/88/54/1074848854.db2.gz HZQLEHPHCSJEMZ-HIFRSBDPSA-N 0 0 392.460 -1.033 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CCO1 ZINC000625586395 1074848943 /nfs/dbraw/zinc/84/89/43/1074848943.db2.gz HZQLEHPHCSJEMZ-UKRRQHHQSA-N 0 0 392.460 -1.033 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CCO1 ZINC000625586397 1074848951 /nfs/dbraw/zinc/84/89/51/1074848951.db2.gz HZQLEHPHCSJEMZ-ZFWWWQNUSA-N 0 0 392.460 -1.033 20 0 GAADRN NS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000625586425 530075731 /nfs/dbraw/zinc/07/57/31/530075731.db2.gz HJXCMEBIIIJFLS-UHFFFAOYSA-N 0 0 390.443 -1.036 20 0 GAADRN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CN1CC(=O)N(C)C1=O ZINC000625589705 1074849216 /nfs/dbraw/zinc/84/92/16/1074849216.db2.gz AGWYWNJTGRBNKS-UHFFFAOYSA-N 0 0 398.441 -1.190 20 0 GAADRN O=C(C(=O)N1CCOC2(CCOCC2)C1)N1CCN(c2nccnn2)CC1 ZINC000625591754 1074849270 /nfs/dbraw/zinc/84/92/70/1074849270.db2.gz IWDUTBVFSTUARI-UHFFFAOYSA-N 0 0 376.417 -1.072 20 0 GAADRN CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C[C@]2(CCOC2)O1 ZINC000625592357 1074849277 /nfs/dbraw/zinc/84/92/77/1074849277.db2.gz DUOGJXJUFSNWJN-GLJUWKHASA-N 0 0 398.460 -1.061 20 0 GAADRN CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)C[C@@]2(CCOC2)O1 ZINC000625592358 1074849213 /nfs/dbraw/zinc/84/92/13/1074849213.db2.gz DUOGJXJUFSNWJN-HBUWYVDXSA-N 0 0 398.460 -1.061 20 0 GAADRN CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)C[C@]2(CCOC2)O1 ZINC000625592359 1074849220 /nfs/dbraw/zinc/84/92/20/1074849220.db2.gz DUOGJXJUFSNWJN-LBTNJELSSA-N 0 0 398.460 -1.061 20 0 GAADRN CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C[C@@]2(CCOC2)O1 ZINC000625592360 1074849209 /nfs/dbraw/zinc/84/92/09/1074849209.db2.gz DUOGJXJUFSNWJN-QWQRMKEZSA-N 0 0 398.460 -1.061 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000625592608 1074849231 /nfs/dbraw/zinc/84/92/31/1074849231.db2.gz FOFLBGGAJNMZKC-GFCCVEGCSA-N 0 0 397.461 -1.940 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000625592609 1074849310 /nfs/dbraw/zinc/84/93/10/1074849310.db2.gz FOFLBGGAJNMZKC-LBPRGKRZSA-N 0 0 397.461 -1.940 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000625593085 1074849520 /nfs/dbraw/zinc/84/95/20/1074849520.db2.gz IPAFMUQRTTZNRF-ACJLOTCBSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000625593087 1074849668 /nfs/dbraw/zinc/84/96/68/1074849668.db2.gz IPAFMUQRTTZNRF-FZKQIMNGSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000625593089 1074849578 /nfs/dbraw/zinc/84/95/78/1074849578.db2.gz IPAFMUQRTTZNRF-SCLBCKFNSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCO1 ZINC000625593091 1074849604 /nfs/dbraw/zinc/84/96/04/1074849604.db2.gz IPAFMUQRTTZNRF-UGSOOPFHSA-N 0 0 398.460 -1.061 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC000625593142 530075522 /nfs/dbraw/zinc/07/55/22/530075522.db2.gz JBBLDWVNWJJLLQ-GHMZBOCLSA-N 0 0 376.435 -2.371 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC000625593143 530075759 /nfs/dbraw/zinc/07/57/59/530075759.db2.gz JBBLDWVNWJJLLQ-MNOVXSKESA-N 0 0 376.435 -2.371 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC000625593144 530075645 /nfs/dbraw/zinc/07/56/45/530075645.db2.gz JBBLDWVNWJJLLQ-QWRGUYRKSA-N 0 0 376.435 -2.371 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC000625593146 530075663 /nfs/dbraw/zinc/07/56/63/530075663.db2.gz JBBLDWVNWJJLLQ-WDEREUQCSA-N 0 0 376.435 -2.371 20 0 GAADRN CCCN1CCCN(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1=O ZINC000625593273 1074849298 /nfs/dbraw/zinc/84/92/98/1074849298.db2.gz KMGZUGXAUGMDJI-CYBMUJFWSA-N 0 0 383.449 -1.386 20 0 GAADRN CCCN1CCCN(C(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)CC1=O ZINC000625593274 1074849225 /nfs/dbraw/zinc/84/92/25/1074849225.db2.gz KMGZUGXAUGMDJI-ZDUSSCGKSA-N 0 0 383.449 -1.386 20 0 GAADRN CCCN1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1=O ZINC000625593759 1074849851 /nfs/dbraw/zinc/84/98/51/1074849851.db2.gz NYFMJVHXAYHFBB-UHFFFAOYSA-N 0 0 375.433 -1.009 20 0 GAADRN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625594945 1074849529 /nfs/dbraw/zinc/84/95/29/1074849529.db2.gz 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CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)CCO1 ZINC000625595361 1074849949 /nfs/dbraw/zinc/84/99/49/1074849949.db2.gz XUEWSBRSKXQVLO-CYBMUJFWSA-N 0 0 384.433 -1.449 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)CCO1 ZINC000625595366 1073563230 /nfs/dbraw/zinc/56/32/30/1073563230.db2.gz XUEWSBRSKXQVLO-ZDUSSCGKSA-N 0 0 384.433 -1.449 20 0 GAADRN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCO1 ZINC000625595594 1074890888 /nfs/dbraw/zinc/89/08/88/1074890888.db2.gz JXDKEDHZXHMGCT-SECBINFHSA-N 0 0 383.434 -2.128 20 0 GAADRN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCO1 ZINC000625595610 1074849660 /nfs/dbraw/zinc/84/96/60/1074849660.db2.gz JXDKEDHZXHMGCT-VIFPVBQESA-N 0 0 383.434 -2.128 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(COC)C2)C1 ZINC000625595972 530075714 /nfs/dbraw/zinc/07/57/14/530075714.db2.gz WHPXUFVTYXVSNP-DOMZBBRYSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(COC)C2)C1 ZINC000625595973 530075525 /nfs/dbraw/zinc/07/55/25/530075525.db2.gz WHPXUFVTYXVSNP-IUODEOHRSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(COC)C2)C1 ZINC000625595974 530075500 /nfs/dbraw/zinc/07/55/00/530075500.db2.gz WHPXUFVTYXVSNP-SWLSCSKDSA-N 0 0 377.463 -1.210 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(COC)C2)C1 ZINC000625595975 530075491 /nfs/dbraw/zinc/07/54/91/530075491.db2.gz WHPXUFVTYXVSNP-WFASDCNBSA-N 0 0 377.463 -1.210 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000625595994 1074849641 /nfs/dbraw/zinc/84/96/41/1074849641.db2.gz WPSJYTDKOFAECL-CYBMUJFWSA-N 0 0 399.448 -2.150 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000625595996 1074849594 /nfs/dbraw/zinc/84/95/94/1074849594.db2.gz WPSJYTDKOFAECL-ZDUSSCGKSA-N 0 0 399.448 -2.150 20 0 GAADRN COCCN1CCCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1=O ZINC000625596439 1074849683 /nfs/dbraw/zinc/84/96/83/1074849683.db2.gz YGGIXZDCLQGXET-UHFFFAOYSA-N 0 0 391.432 -1.773 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@H](C)OC3(CCOCC3)C2)CCO1 ZINC000625597740 1074850313 /nfs/dbraw/zinc/85/03/13/1074850313.db2.gz OJZAFMPQMTWJHR-KBPBESRZSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CCO1 ZINC000625597741 1074850252 /nfs/dbraw/zinc/85/02/52/1074850252.db2.gz OJZAFMPQMTWJHR-KGLIPLIRSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)OC3(CCOCC3)C2)CCO1 ZINC000625597742 1074850277 /nfs/dbraw/zinc/85/02/77/1074850277.db2.gz OJZAFMPQMTWJHR-UONOGXRCSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CCO1 ZINC000625597743 1074850304 /nfs/dbraw/zinc/85/03/04/1074850304.db2.gz OJZAFMPQMTWJHR-ZIAGYGMSSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CCO1 ZINC000625597772 1074850244 /nfs/dbraw/zinc/85/02/44/1074850244.db2.gz ORDOWCNLPFFATI-AHIWAGSCSA-N 0 0 384.433 -1.451 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CCO1 ZINC000625597773 1074850292 /nfs/dbraw/zinc/85/02/92/1074850292.db2.gz ORDOWCNLPFFATI-OGHNNQOOSA-N 0 0 384.433 -1.451 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CCO1 ZINC000625597874 1074850287 /nfs/dbraw/zinc/85/02/87/1074850287.db2.gz ORDOWCNLPFFATI-PBFPGSCMSA-N 0 0 384.433 -1.451 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)CCO1 ZINC000625597875 1074850259 /nfs/dbraw/zinc/85/02/59/1074850259.db2.gz ORDOWCNLPFFATI-XNJGSVPQSA-N 0 0 384.433 -1.451 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)CCO1 ZINC000625598512 1074849828 /nfs/dbraw/zinc/84/98/28/1074849828.db2.gz RZLFRBJAHKGMIO-HBUWYVDXSA-N 0 0 398.460 -1.061 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CCO1 ZINC000625598513 1074849878 /nfs/dbraw/zinc/84/98/78/1074849878.db2.gz RZLFRBJAHKGMIO-IYOUNJFTSA-N 0 0 398.460 -1.061 20 0 GAADRN 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CN(C)C(=O)CCN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658648947 1073724868 /nfs/dbraw/zinc/72/48/68/1073724868.db2.gz HQLHBALXDZSEGR-MRXNPFEDSA-N 0 0 395.504 -1.458 20 0 GAADRN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 ZINC000658648981 1073724900 /nfs/dbraw/zinc/72/49/00/1073724900.db2.gz ICUMDQKFQUJVOA-UHFFFAOYSA-N 0 0 396.473 -1.519 20 0 GAADRN CO[C@@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CCOC1 ZINC000658649735 1073724883 /nfs/dbraw/zinc/72/48/83/1073724883.db2.gz USQDQVFQDWSOAW-CABCVRRESA-N 0 0 384.477 -1.223 20 0 GAADRN CO[C@@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCOC1 ZINC000658649740 1073724830 /nfs/dbraw/zinc/72/48/30/1073724830.db2.gz USQDQVFQDWSOAW-GJZGRUSLSA-N 0 0 384.477 -1.223 20 0 GAADRN CO[C@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CCOC1 ZINC000658649744 1073724746 /nfs/dbraw/zinc/72/47/46/1073724746.db2.gz USQDQVFQDWSOAW-HUUCEWRRSA-N 0 0 384.477 -1.223 20 0 GAADRN CO[C@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCOC1 ZINC000658649746 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O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658664177 1073724731 /nfs/dbraw/zinc/72/47/31/1073724731.db2.gz BICPKKMXGGQALE-LSDHHAIUSA-N 0 0 379.461 -1.018 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3c3nncn3C)C[C@H]21 ZINC000658664369 1073724783 /nfs/dbraw/zinc/72/47/83/1073724783.db2.gz BWLSGIBSUXBICZ-LOWDOPEQSA-N 0 0 397.457 -1.251 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@H]3c3nncn3C)C[C@H]21 ZINC000658664372 1073724975 /nfs/dbraw/zinc/72/49/75/1073724975.db2.gz BWLSGIBSUXBICZ-RVMXOQNASA-N 0 0 397.457 -1.251 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCn4cc(C)nc4C3)C[C@H]21 ZINC000658665001 1073724952 /nfs/dbraw/zinc/72/49/52/1073724952.db2.gz PWOYHMONCSPAGB-XQQFMLRXSA-N 0 0 382.442 -1.196 20 0 GAADRN CCN(Cc1cn(C)nn1)C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000658666329 1073725290 /nfs/dbraw/zinc/72/52/90/1073725290.db2.gz YVERNLVGXOMJCP-FRRDWIJNSA-N 0 0 385.446 -1.566 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)C[C@H]21 ZINC000658667100 530176962 /nfs/dbraw/zinc/17/69/62/530176962.db2.gz UHVGFAGICUTMMQ-JXUBOQSCSA-N 0 0 388.364 -1.362 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)C[C@H]21 ZINC000658667103 530176774 /nfs/dbraw/zinc/17/67/74/530176774.db2.gz UHVGFAGICUTMMQ-QCLAVDOMSA-N 0 0 388.364 -1.362 20 0 GAADRN NC(=O)c1csc(CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000658667220 1073725387 /nfs/dbraw/zinc/72/53/87/1073725387.db2.gz JZJXOXMQHWKGTO-SECBINFHSA-N 0 0 380.430 -1.079 20 0 GAADRN NC(=O)c1csc(CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000658667222 1073725331 /nfs/dbraw/zinc/72/53/31/1073725331.db2.gz JZJXOXMQHWKGTO-VIFPVBQESA-N 0 0 380.430 -1.079 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)C[C@H]21 ZINC000658667749 1073725343 /nfs/dbraw/zinc/72/53/43/1073725343.db2.gz OMDKNSJMNSHDBE-RVMXOQNASA-N 0 0 387.458 -1.629 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)C[C@H]21 ZINC000658667757 1073725352 /nfs/dbraw/zinc/72/53/52/1073725352.db2.gz OMDKNSJMNSHDBE-XQHKEYJVSA-N 0 0 387.458 -1.629 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)CCc3cnccn3)C[C@H]21 ZINC000658670427 1073725464 /nfs/dbraw/zinc/72/54/64/1073725464.db2.gz QNYDFBYRQPBAHA-MJBXVCDLSA-N 0 0 382.442 -1.252 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C[C@H](C)O1 ZINC000658671325 1073726083 /nfs/dbraw/zinc/72/60/83/1073726083.db2.gz XAUGXAKQMSYDAV-MQLXINIDSA-N 0 0 390.458 -1.481 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C[C@H](C)O1 ZINC000658671336 1073725857 /nfs/dbraw/zinc/72/58/57/1073725857.db2.gz XAUGXAKQMSYDAV-PDWCTOEPSA-N 0 0 390.458 -1.481 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C[C@@H](C)O1 ZINC000658671340 1073725841 /nfs/dbraw/zinc/72/58/41/1073725841.db2.gz XAUGXAKQMSYDAV-XGFWRYKXSA-N 0 0 390.458 -1.481 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C[C@@H](C)O1 ZINC000658671343 1073725963 /nfs/dbraw/zinc/72/59/63/1073725963.db2.gz XAUGXAKQMSYDAV-XHJNMGKDSA-N 0 0 390.458 -1.481 20 0 GAADRN COCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@H]1CCOC1 ZINC000658672845 1073725955 /nfs/dbraw/zinc/72/59/55/1073725955.db2.gz GYLIJJKFDOQPGB-RFQIPJPRSA-N 0 0 390.458 -1.479 20 0 GAADRN COCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@@H]1CCOC1 ZINC000658672846 1073725946 /nfs/dbraw/zinc/72/59/46/1073725946.db2.gz GYLIJJKFDOQPGB-YIYPIFLZSA-N 0 0 390.458 -1.479 20 0 GAADRN COCCCOCCN(C)C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000658673586 1073725830 /nfs/dbraw/zinc/72/58/30/1073725830.db2.gz LNIDFXKVULYLFM-HZSPNIEDSA-N 0 0 392.474 -1.232 20 0 GAADRN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CCOCCO)CC2)nn1 ZINC000658674121 1073725321 /nfs/dbraw/zinc/72/53/21/1073725321.db2.gz JYEHJUBXANUWEI-UHFFFAOYSA-N 0 0 381.433 -1.009 20 0 GAADRN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C1 ZINC000658674224 1073725407 /nfs/dbraw/zinc/72/54/07/1073725407.db2.gz VLRAUVGGTWAWON-AZKPJATDSA-N 0 0 387.458 -1.759 20 0 GAADRN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C1 ZINC000658674227 1073725275 /nfs/dbraw/zinc/72/52/75/1073725275.db2.gz VLRAUVGGTWAWON-JBBSTSQOSA-N 0 0 387.458 -1.759 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)C[C@H]21 ZINC000658674823 530176798 /nfs/dbraw/zinc/17/67/98/530176798.db2.gz SZFVTCNDBJXASW-LBELIVKGSA-N 0 0 378.447 -2.153 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)C[C@H]21 ZINC000658674827 530176750 /nfs/dbraw/zinc/17/67/50/530176750.db2.gz SZFVTCNDBJXASW-NWBUJAPZSA-N 0 0 378.447 -2.153 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)C[C@H]21 ZINC000658674829 530176953 /nfs/dbraw/zinc/17/69/53/530176953.db2.gz SZFVTCNDBJXASW-OFTGVCEQSA-N 0 0 378.447 -2.153 20 0 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0 GAADRN CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000667722507 530182322 /nfs/dbraw/zinc/18/23/22/530182322.db2.gz OFGZPWHATIXBIS-GFCCVEGCSA-N 0 0 382.508 -1.310 20 0 GAADRN CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000667722508 530182522 /nfs/dbraw/zinc/18/25/22/530182522.db2.gz OFGZPWHATIXBIS-LBPRGKRZSA-N 0 0 382.508 -1.310 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000667773407 530182274 /nfs/dbraw/zinc/18/22/74/530182274.db2.gz IWGRPJUKJBLAOR-GRYCIOLGSA-N 0 0 383.492 -2.072 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000667773408 530182337 /nfs/dbraw/zinc/18/23/37/530182337.db2.gz IWGRPJUKJBLAOR-IJLUTSLNSA-N 0 0 383.492 -2.072 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000667773409 530182221 /nfs/dbraw/zinc/18/22/21/530182221.db2.gz IWGRPJUKJBLAOR-UTUOFQBUSA-N 0 0 383.492 -2.072 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000667773410 530182472 /nfs/dbraw/zinc/18/24/72/530182472.db2.gz IWGRPJUKJBLAOR-WOPDTQHZSA-N 0 0 383.492 -2.072 20 0 GAADRN COc1ccc2ncc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2n1 ZINC000667773506 1074400445 /nfs/dbraw/zinc/40/04/45/1074400445.db2.gz KMRLSYQJKAWPJJ-AAEUAGOBSA-N 0 0 395.441 -1.035 20 0 GAADRN COc1ccc2ncc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2n1 ZINC000667773507 1074400477 /nfs/dbraw/zinc/40/04/77/1074400477.db2.gz KMRLSYQJKAWPJJ-DGCLKSJQSA-N 0 0 395.441 -1.035 20 0 GAADRN COc1ccc2ncc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2n1 ZINC000667773508 1074400960 /nfs/dbraw/zinc/40/09/60/1074400960.db2.gz KMRLSYQJKAWPJJ-WCQYABFASA-N 0 0 395.441 -1.035 20 0 GAADRN COc1ccc2ncc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2n1 ZINC000667773509 1074400930 /nfs/dbraw/zinc/40/09/30/1074400930.db2.gz KMRLSYQJKAWPJJ-YPMHNXCESA-N 0 0 395.441 -1.035 20 0 GAADRN O=C(CN1CCN(C2CC2)C1=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000667773600 1074400853 /nfs/dbraw/zinc/40/08/53/1074400853.db2.gz 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Cc1cnc2nc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)nn2c1 ZINC000667773935 1074401111 /nfs/dbraw/zinc/40/11/11/1074401111.db2.gz VEQLKSSVYNSDMU-RYUDHWBXSA-N 0 0 380.430 -1.340 20 0 GAADRN Cc1cnc2nc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)nn2c1 ZINC000667773936 1074400968 /nfs/dbraw/zinc/40/09/68/1074400968.db2.gz VEQLKSSVYNSDMU-VXGBXAGGSA-N 0 0 380.430 -1.340 20 0 GAADRN CN(C)S(=O)(=O)NCC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000667851217 1074405233 /nfs/dbraw/zinc/40/52/33/1074405233.db2.gz HLZVCUYFTAUTTC-UHFFFAOYSA-N 0 0 395.445 -1.071 20 0 GAADRN O=C(Cn1cnc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)n1)NCc1ccccc1 ZINC000667851433 1074405086 /nfs/dbraw/zinc/40/50/86/1074405086.db2.gz NFCFMGMQGKKLAV-IIAWOOMASA-N 0 0 387.396 -1.054 20 0 GAADRN CN(C)S(=O)(=O)NCC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000667894957 1074409285 /nfs/dbraw/zinc/40/92/85/1074409285.db2.gz HQRYGOUFZPEHEF-HNNXBMFYSA-N 0 0 383.430 -1.247 20 0 GAADRN CN(C)S(=O)(=O)NCC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000667894958 1074409363 /nfs/dbraw/zinc/40/93/63/1074409363.db2.gz HQRYGOUFZPEHEF-OAHLLOKOSA-N 0 0 383.430 -1.247 20 0 GAADRN CN1NN=C2C1=NCC[C@H]2C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000667913285 1074413041 /nfs/dbraw/zinc/41/30/41/1074413041.db2.gz DSQBDHSHTXUFML-CYBMUJFWSA-N 0 0 399.459 -1.144 20 0 GAADRN CN1NN=C2C1=NCC[C@@H]2C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000667913286 1074413063 /nfs/dbraw/zinc/41/30/63/1074413063.db2.gz DSQBDHSHTXUFML-ZDUSSCGKSA-N 0 0 399.459 -1.144 20 0 GAADRN O=C(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCN(c2ncccn2)CC1 ZINC000667913899 1074413141 /nfs/dbraw/zinc/41/31/41/1074413141.db2.gz SYJAZQLQTKIDLI-NSHDSACASA-N 0 0 375.389 -1.770 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000667913947 1074413225 /nfs/dbraw/zinc/41/32/25/1074413225.db2.gz VBSLLHQFXUQGGT-CYBMUJFWSA-N 0 0 398.489 -1.041 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000667913948 1074413264 /nfs/dbraw/zinc/41/32/64/1074413264.db2.gz VBSLLHQFXUQGGT-ZDUSSCGKSA-N 0 0 398.489 -1.041 20 0 GAADRN CN(C)S(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000667913964 1074413067 /nfs/dbraw/zinc/41/30/67/1074413067.db2.gz VOPNLTVRQHAGBW-UHFFFAOYSA-N 0 0 399.477 -1.973 20 0 GAADRN CCC1(Cn2cc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)nn2)COC1 ZINC000668018966 1074422456 /nfs/dbraw/zinc/42/24/56/1074422456.db2.gz ALEWLJKZFGGFRC-UHFFFAOYSA-N 0 0 389.420 -1.324 20 0 GAADRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000668019010 1074422440 /nfs/dbraw/zinc/42/24/40/1074422440.db2.gz BRBXYYUEBODJGJ-GOSISDBHSA-N 0 0 383.412 -1.198 20 0 GAADRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000668019011 1074422451 /nfs/dbraw/zinc/42/24/51/1074422451.db2.gz BRBXYYUEBODJGJ-SFHVURJKSA-N 0 0 383.412 -1.198 20 0 GAADRN C[C@@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)n1cnc2c1ncnc2N ZINC000668019030 1074422349 /nfs/dbraw/zinc/42/23/49/1074422349.db2.gz CSTMTNUMPCIVJO-JTQLQIEISA-N 0 0 385.392 -1.673 20 0 GAADRN C[C@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)n1cnc2c1ncnc2N ZINC000668019031 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-1.387 20 0 GAADRN Cc1nc2cncc(N3CCN(C(=O)C(=O)NC[C@H]4COCCO4)CC3)n2n1 ZINC000671289004 1074721265 /nfs/dbraw/zinc/72/12/65/1074721265.db2.gz FYUZPLOMRGYHQX-ZDUSSCGKSA-N 0 0 389.416 -1.387 20 0 GAADRN O=C(NC[C@@H]1COCCO1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000671289569 530138962 /nfs/dbraw/zinc/13/89/62/530138962.db2.gz GXLKOSKZCZCCKY-CHWSQXEVSA-N 0 0 375.447 -1.456 20 0 GAADRN O=C(NC[C@H]1COCCO1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000671289570 530138956 /nfs/dbraw/zinc/13/89/56/530138956.db2.gz GXLKOSKZCZCCKY-OLZOCXBDSA-N 0 0 375.447 -1.456 20 0 GAADRN O=C(NC[C@@H]1COCCO1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000671289571 530138800 /nfs/dbraw/zinc/13/88/00/530138800.db2.gz GXLKOSKZCZCCKY-QWHCGFSZSA-N 0 0 375.447 -1.456 20 0 GAADRN O=C(NC[C@H]1COCCO1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000671289572 530138750 /nfs/dbraw/zinc/13/87/50/530138750.db2.gz GXLKOSKZCZCCKY-STQMWFEESA-N 0 0 375.447 -1.456 20 0 GAADRN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307847 1074722609 /nfs/dbraw/zinc/72/26/09/1074722609.db2.gz NQHSFEIBJPYESD-GFCCVEGCSA-N 0 0 378.433 -1.376 20 0 GAADRN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000671307848 1074722840 /nfs/dbraw/zinc/72/28/40/1074722840.db2.gz NQHSFEIBJPYESD-LBPRGKRZSA-N 0 0 378.433 -1.376 20 0 GAADRN COC1(CO)CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000671308266 1074722849 /nfs/dbraw/zinc/72/28/49/1074722849.db2.gz CPNSFQHNWAFNCT-UHFFFAOYSA-N 0 0 395.460 -1.113 20 0 GAADRN C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CN(C)CCO1 ZINC000671308397 1074723043 /nfs/dbraw/zinc/72/30/43/1074723043.db2.gz ZZAHVWZZMNFOBK-KBPBESRZSA-N 0 0 394.476 -1.277 20 0 GAADRN C[C@@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CN(C)CCO1 ZINC000671308398 1074722814 /nfs/dbraw/zinc/72/28/14/1074722814.db2.gz ZZAHVWZZMNFOBK-KGLIPLIRSA-N 0 0 394.476 -1.277 20 0 GAADRN C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CN(C)CCO1 ZINC000671308399 1074723120 /nfs/dbraw/zinc/72/31/20/1074723120.db2.gz ZZAHVWZZMNFOBK-UONOGXRCSA-N 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ZINC000671335715 1074725622 /nfs/dbraw/zinc/72/56/22/1074725622.db2.gz NFIZFCCFXJPVHR-OAHLLOKOSA-N 0 0 382.461 -1.468 20 0 GAADRN O=C(NC[C@@H]1CCCOC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000671338290 1074726014 /nfs/dbraw/zinc/72/60/14/1074726014.db2.gz LFEPCGFDQHMOLA-AWEZNQCLSA-N 0 0 396.444 -1.941 20 0 GAADRN O=C(NC[C@H]1CCCOC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000671338292 1074726023 /nfs/dbraw/zinc/72/60/23/1074726023.db2.gz LFEPCGFDQHMOLA-CQSZACIVSA-N 0 0 396.444 -1.941 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1)N1CCOCC1 ZINC000671340062 1074725983 /nfs/dbraw/zinc/72/59/83/1074725983.db2.gz OTHGIGADXPDPPE-HNNXBMFYSA-N 0 0 382.461 -1.468 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1)N1CCOCC1 ZINC000671340064 1074726099 /nfs/dbraw/zinc/72/60/99/1074726099.db2.gz OTHGIGADXPDPPE-OAHLLOKOSA-N 0 0 382.461 -1.468 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000671342217 530168426 /nfs/dbraw/zinc/16/84/26/530168426.db2.gz RBQLCNRYMVQQBC-CYBMUJFWSA-N 0 0 376.479 -1.777 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000671342218 530168209 /nfs/dbraw/zinc/16/82/09/530168209.db2.gz RBQLCNRYMVQQBC-ZDUSSCGKSA-N 0 0 376.479 -1.777 20 0 GAADRN CC(C)CCOCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671353877 1074726716 /nfs/dbraw/zinc/72/67/16/1074726716.db2.gz ZCUFBJPBYZMVBD-UHFFFAOYSA-N 0 0 392.522 -1.141 20 0 GAADRN CCCCOCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671354051 530170186 /nfs/dbraw/zinc/17/01/86/530170186.db2.gz IPOMXCHRELJXGK-UHFFFAOYSA-N 0 0 378.495 -1.387 20 0 GAADRN Cc1nc2n(n1)CCN(C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C2 ZINC000671356108 1074726706 /nfs/dbraw/zinc/72/67/06/1074726706.db2.gz AAKIGRRHOXHGGT-UHFFFAOYSA-N 0 0 399.477 -2.378 20 0 GAADRN CN(Cc1ccccn1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356129 1074779356 /nfs/dbraw/zinc/77/93/56/1074779356.db2.gz ABQPOIACJJIYPW-UHFFFAOYSA-N 0 0 383.474 -1.267 20 0 GAADRN COC[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671356187 1074779409 /nfs/dbraw/zinc/77/94/09/1074779409.db2.gz BEKZQWAJHODNIL-AWEZNQCLSA-N 0 0 390.506 -1.435 20 0 GAADRN COC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671356188 1074779363 /nfs/dbraw/zinc/77/93/63/1074779363.db2.gz BEKZQWAJHODNIL-CQSZACIVSA-N 0 0 390.506 -1.435 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000671356209 1074779607 /nfs/dbraw/zinc/77/96/07/1074779607.db2.gz CBZFJDNBNNYYOF-UHFFFAOYSA-N 0 0 384.462 -2.012 20 0 GAADRN CO[C@H]1CN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1C ZINC000671356217 1074779706 /nfs/dbraw/zinc/77/97/06/1074779706.db2.gz CGJIXGFZCMLYDF-KBPBESRZSA-N 0 0 390.506 -1.437 20 0 GAADRN CO[C@H]1CN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[C@H]1C ZINC000671356218 1074779518 /nfs/dbraw/zinc/77/95/18/1074779518.db2.gz CGJIXGFZCMLYDF-KGLIPLIRSA-N 0 0 390.506 -1.437 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[C@@H]1C ZINC000671356219 1074779508 /nfs/dbraw/zinc/77/95/08/1074779508.db2.gz CGJIXGFZCMLYDF-UONOGXRCSA-N 0 0 390.506 -1.437 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[C@H]1C ZINC000671356220 1074779617 /nfs/dbraw/zinc/77/96/17/1074779617.db2.gz CGJIXGFZCMLYDF-ZIAGYGMSSA-N 0 0 390.506 -1.437 20 0 GAADRN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356239 1074779744 /nfs/dbraw/zinc/77/97/44/1074779744.db2.gz CXZXMUTVYULTKG-KBPBESRZSA-N 0 0 390.506 -1.389 20 0 GAADRN C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356256 1074779674 /nfs/dbraw/zinc/77/96/74/1074779674.db2.gz CXZXMUTVYULTKG-KGLIPLIRSA-N 0 0 390.506 -1.389 20 0 GAADRN C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356258 1074779545 /nfs/dbraw/zinc/77/95/45/1074779545.db2.gz CXZXMUTVYULTKG-UONOGXRCSA-N 0 0 390.506 -1.389 20 0 GAADRN C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356259 1074779538 /nfs/dbraw/zinc/77/95/38/1074779538.db2.gz CXZXMUTVYULTKG-ZIAGYGMSSA-N 0 0 390.506 -1.389 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000671356269 530170323 /nfs/dbraw/zinc/17/03/23/530170323.db2.gz DHAXYIRRFLHBLX-UHFFFAOYSA-N 0 0 386.421 -2.234 20 0 GAADRN CCCCCN(CCO)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356273 1074779822 /nfs/dbraw/zinc/77/98/22/1074779822.db2.gz DKMWKKYTLIWYMV-UHFFFAOYSA-N 0 0 392.522 -1.309 20 0 GAADRN CN(Cc1cscn1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356288 530170128 /nfs/dbraw/zinc/17/01/28/530170128.db2.gz DPPBYSPGJWCAQB-UHFFFAOYSA-N 0 0 389.503 -1.205 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000671356306 1074726889 /nfs/dbraw/zinc/72/68/89/1074726889.db2.gz DWWRYDFFWLZYIY-CYBMUJFWSA-N 0 0 398.489 -1.403 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000671356308 1074726759 /nfs/dbraw/zinc/72/67/59/1074726759.db2.gz DWWRYDFFWLZYIY-ZDUSSCGKSA-N 0 0 398.489 -1.403 20 0 GAADRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCCSCC2)CC1 ZINC000671356369 530170222 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ZINC000822638183 606240803 /nfs/dbraw/zinc/24/08/03/606240803.db2.gz YYBGIPGSHZHFMF-YPMHNXCESA-N 0 0 395.445 -1.567 20 0 GAADRN Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000822641266 606282391 /nfs/dbraw/zinc/28/23/91/606282391.db2.gz GSMADYPMWMLGHG-UHFFFAOYSA-N 0 0 382.450 -1.488 20 0 GAADRN Cn1cc(-c2nn[nH]n2)cc1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000822659302 606385069 /nfs/dbraw/zinc/38/50/69/606385069.db2.gz JHSQRKZJCOYGMZ-UHFFFAOYSA-N 0 0 399.371 -1.191 20 0 GAADRN Cn1cc(-c2nn[nH]n2)cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000822659492 606390938 /nfs/dbraw/zinc/39/09/38/606390938.db2.gz NCFNRPDMLBGKGY-UHFFFAOYSA-N 0 0 388.344 -1.776 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822683024 1075049999 /nfs/dbraw/zinc/04/99/99/1075049999.db2.gz VKSBHIKKIYZOSU-UHFFFAOYSA-N 0 0 393.466 -1.764 20 0 GAADRN Cn1cc(S(=O)(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c(=O)n(C)c1=O ZINC000822684560 599365254 /nfs/dbraw/zinc/36/52/54/599365254.db2.gz BFUWSIKIXOWHIQ-UHFFFAOYSA-N 0 0 395.376 -1.118 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1O)c(=O)n2C ZINC000822698770 946161503 /nfs/dbraw/zinc/16/15/03/946161503.db2.gz DTIVZDPZGQVCEM-UHFFFAOYSA-N 0 0 397.355 -1.042 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)Nc1ncc(-c3nn[nH]n3)s1)c(=O)n2C ZINC000822699076 946161240 /nfs/dbraw/zinc/16/12/40/946161240.db2.gz NHDTWYFXHXWMMT-UHFFFAOYSA-N 0 0 388.373 -1.291 20 0 GAADRN Cn1cnc2c1c(=O)n(CC(=O)OCc1ccnc(-c3nn[nH]n3)c1)c(=O)n2C ZINC000822699199 606649635 /nfs/dbraw/zinc/64/96/35/606649635.db2.gz RXRYHBFIMJLGRE-UHFFFAOYSA-N 0 0 397.355 -1.248 20 0 GAADRN Cn1ncc2c1nnn(CN1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)c2=O ZINC000822708747 606633162 /nfs/dbraw/zinc/63/31/62/606633162.db2.gz BQZXEJSMNDDSPC-UHFFFAOYSA-N 0 0 394.403 -1.120 20 0 GAADRN Cn1ncc2c1nnn(CN1CCN(c3ncccc3-c3nn[nH]n3)CC1)c2=O ZINC000822709242 606633074 /nfs/dbraw/zinc/63/30/74/606633074.db2.gz IIKLTRYTVLPFGE-UHFFFAOYSA-N 0 0 394.403 -1.120 20 0 GAADRN Cn1ncc2c1nnn(CN1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)c2=O ZINC000822709372 606633165 /nfs/dbraw/zinc/63/31/65/606633165.db2.gz KCORWBKYBBIHHE-UHFFFAOYSA-N 0 0 394.403 -1.120 20 0 GAADRN COC(=O)N(C)CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000822793705 1075050058 /nfs/dbraw/zinc/05/00/58/1075050058.db2.gz FQVXIYNEVZPCKA-UHFFFAOYSA-N 0 0 383.405 -1.313 20 0 GAADRN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000822850335 606090700 /nfs/dbraw/zinc/09/07/00/606090700.db2.gz FHTHDXJSVNQDTD-CYBMUJFWSA-N 0 0 394.461 -1.701 20 0 GAADRN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000822850336 606090959 /nfs/dbraw/zinc/09/09/59/606090959.db2.gz FHTHDXJSVNQDTD-ZDUSSCGKSA-N 0 0 394.461 -1.701 20 0 GAADRN NC(=O)CS(=O)(=O)c1ccc(C(=O)n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000822868861 606642289 /nfs/dbraw/zinc/64/22/89/606642289.db2.gz JCXSEZAYJVDQHM-UHFFFAOYSA-N 0 0 376.358 -1.407 20 0 GAADRN NC(=O)CN(CC(N)=O)C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822869076 607300729 /nfs/dbraw/zinc/30/07/29/607300729.db2.gz NUVJYWNBNUJIBL-UHFFFAOYSA-N 0 0 388.388 -1.225 20 0 GAADRN NC(=O)Cn1cc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nn1 ZINC000822873695 946208306 /nfs/dbraw/zinc/20/83/06/946208306.db2.gz GPUZUGOICKJOLU-GFCCVEGCSA-N 0 0 397.355 -1.094 20 0 GAADRN NC(=O)Cn1cc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nn1 ZINC000822873696 946207684 /nfs/dbraw/zinc/20/76/84/946207684.db2.gz GPUZUGOICKJOLU-LBPRGKRZSA-N 0 0 397.355 -1.094 20 0 GAADRN NC(=O)Cn1cc(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000822873698 599135788 /nfs/dbraw/zinc/13/57/88/599135788.db2.gz GRDCLHUSZFUBKM-UHFFFAOYSA-N 0 0 396.415 -1.099 20 0 GAADRN NC(=O)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000822873769 606614730 /nfs/dbraw/zinc/61/47/30/606614730.db2.gz IKVXOZIASBLROT-UHFFFAOYSA-N 0 0 384.360 -1.051 20 0 GAADRN NC(=O)N1CCN2C(=O)N(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C(=O)[C@H]2C1 ZINC000822874047 606361842 /nfs/dbraw/zinc/36/18/42/606361842.db2.gz RSHQGGTZNCXDKC-LLVKDONJSA-N 0 0 399.371 -1.168 20 0 GAADRN NC(=O)N1CCN2C(=O)N(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C(=O)[C@@H]2C1 ZINC000822874048 606361837 /nfs/dbraw/zinc/36/18/37/606361837.db2.gz RSHQGGTZNCXDKC-NSHDSACASA-N 0 0 399.371 -1.168 20 0 GAADRN NC(=O)Cn1cc(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)nn1 ZINC000822874257 599149431 /nfs/dbraw/zinc/14/94/31/599149431.db2.gz WMMRJEIOCBXRSL-UHFFFAOYSA-N 0 0 382.388 -1.094 20 0 GAADRN NC(=O)N1CCN2C(=O)N(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C(=O)[C@H]2C1 ZINC000822874386 606361685 /nfs/dbraw/zinc/36/16/85/606361685.db2.gz ZAKRIDVAWJXLNP-LLVKDONJSA-N 0 0 399.371 -1.168 20 0 GAADRN NC(=O)N1CCN2C(=O)N(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C(=O)[C@@H]2C1 ZINC000822874387 606361874 /nfs/dbraw/zinc/36/18/74/606361874.db2.gz ZAKRIDVAWJXLNP-NSHDSACASA-N 0 0 399.371 -1.168 20 0 GAADRN NS(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822889671 599319148 /nfs/dbraw/zinc/31/91/48/599319148.db2.gz AOZLZLPXVLSGGM-GFCCVEGCSA-N 0 0 393.429 -1.124 20 0 GAADRN NS(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822889672 599319537 /nfs/dbraw/zinc/31/95/37/599319537.db2.gz AOZLZLPXVLSGGM-LBPRGKRZSA-N 0 0 393.429 -1.124 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000822894625 946213856 /nfs/dbraw/zinc/21/38/56/946213856.db2.gz DNAZOCNZALFJPK-UHFFFAOYSA-N 0 0 395.445 -1.322 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822895014 606287332 /nfs/dbraw/zinc/28/73/32/606287332.db2.gz KQSOCYGCRHPKQS-UHFFFAOYSA-N 0 0 379.446 -1.158 20 0 GAADRN NS(=O)(=O)CCN1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822895159 606090107 /nfs/dbraw/zinc/09/01/07/606090107.db2.gz LYXRBKASMMEOCA-UHFFFAOYSA-N 0 0 394.461 -1.289 20 0 GAADRN NS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000822895225 606316461 /nfs/dbraw/zinc/31/64/61/606316461.db2.gz OLCVKCUPBSGELB-JTQLQIEISA-N 0 0 398.474 -1.145 20 0 GAADRN NS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000822895226 606316596 /nfs/dbraw/zinc/31/65/96/606316596.db2.gz OLCVKCUPBSGELB-SNVBAGLBSA-N 0 0 398.474 -1.145 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822895360 606598886 /nfs/dbraw/zinc/59/88/86/606598886.db2.gz PPMLYANTCZMUNR-UHFFFAOYSA-N 0 0 379.446 -1.158 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822895559 606287324 /nfs/dbraw/zinc/28/73/24/606287324.db2.gz SVFNNVYXODMJSE-UHFFFAOYSA-N 0 0 395.445 -1.322 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822895574 606194572 /nfs/dbraw/zinc/19/45/72/606194572.db2.gz UCCYBYDLXQODIY-UHFFFAOYSA-N 0 0 394.461 -1.289 20 0 GAADRN NS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(-c2nn[nH]n2)c1 ZINC000822895610 607174102 /nfs/dbraw/zinc/17/41/02/607174102.db2.gz VISBLZVWOFISQX-MRVPVSSYSA-N 0 0 392.401 -2.339 20 0 GAADRN NS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000822895611 607174166 /nfs/dbraw/zinc/17/41/66/607174166.db2.gz VISBLZVWOFISQX-QMMMGPOBSA-N 0 0 392.401 -2.339 20 0 GAADRN NS(=O)(=O)CCN1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822895626 606287358 /nfs/dbraw/zinc/28/73/58/606287358.db2.gz VVQDZYDQCKGNAF-UHFFFAOYSA-N 0 0 395.445 -1.322 20 0 GAADRN NS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822895719 599353302 /nfs/dbraw/zinc/35/33/02/599353302.db2.gz WMXZJWLMWDCBTM-UHFFFAOYSA-N 0 0 394.417 -2.056 20 0 GAADRN NS(=O)(=O)CCN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822895749 946214263 /nfs/dbraw/zinc/21/42/63/946214263.db2.gz WYMYCNAXEBHUIM-UHFFFAOYSA-N 0 0 394.461 -1.289 20 0 GAADRN NS(=O)(=O)c1cnn(CC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822899694 599469484 /nfs/dbraw/zinc/46/94/84/599469484.db2.gz PCPMHGRJRLJGQM-UHFFFAOYSA-N 0 0 392.401 -1.094 20 0 GAADRN NS(=O)(=O)c1ccc(NC[C@H](O)CN2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822899717 607303177 /nfs/dbraw/zinc/30/31/77/607303177.db2.gz PTIOONSZFQIOMZ-JTQLQIEISA-N 0 0 383.434 -1.381 20 0 GAADRN NS(=O)(=O)c1ccc(NC[C@@H](O)CN2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822899718 607303350 /nfs/dbraw/zinc/30/33/50/607303350.db2.gz PTIOONSZFQIOMZ-SNVBAGLBSA-N 0 0 383.434 -1.381 20 0 GAADRN NS(=O)(=O)c1ccc(NCCN2CCCS2(=O)=O)c(-c2nn[nH]n2)c1 ZINC000822899852 599507392 /nfs/dbraw/zinc/50/73/92/599507392.db2.gz VVDAQFRYHKZUMR-UHFFFAOYSA-N 0 0 387.447 -1.039 20 0 GAADRN O=C(C(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)N1CCOCC1 ZINC000822912037 606248122 /nfs/dbraw/zinc/24/81/22/606248122.db2.gz JWBYYBDKEJFMSN-UHFFFAOYSA-N 0 0 388.388 -1.662 20 0 GAADRN O=C(CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822968893 606154166 /nfs/dbraw/zinc/15/41/66/606154166.db2.gz DMDOFUOXYOERHB-LLVKDONJSA-N 0 0 384.400 -1.162 20 0 GAADRN O=C(CCN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822968894 606153904 /nfs/dbraw/zinc/15/39/04/606153904.db2.gz DMDOFUOXYOERHB-NSHDSACASA-N 0 0 384.400 -1.162 20 0 GAADRN O=C(CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822968941 607070544 /nfs/dbraw/zinc/07/05/44/607070544.db2.gz FFXZFMJBDWSGCW-SECBINFHSA-N 0 0 390.429 -1.101 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NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cccc4n[nH]cc43)[C@@H](O)C2)O1 ZINC000969461023 1073420519 /nfs/dbraw/zinc/42/05/19/1073420519.db2.gz NRPDQSQPQNUFBK-CBBWQLFWSA-N 0 0 387.396 -1.103 20 0 GAADRN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2O)c1C ZINC000969461204 1073420439 /nfs/dbraw/zinc/42/04/39/1073420439.db2.gz RJUIVKDZHMWHQQ-KXNHARMFSA-N 0 0 377.401 -2.180 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC000969461208 1073420462 /nfs/dbraw/zinc/42/04/62/1073420462.db2.gz RNUVAHGOBPVNAP-RQJABVFESA-N 0 0 384.396 -1.310 20 0 GAADRN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2O)c1C ZINC000969461264 1073420453 /nfs/dbraw/zinc/42/04/53/1073420453.db2.gz UOQXQXQDXSJRRT-YFQWEKLQSA-N 0 0 376.413 -1.265 20 0 GAADRN CCCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)[nH]n1 ZINC000969461671 1073420432 /nfs/dbraw/zinc/42/04/32/1073420432.db2.gz LCYSGGLVIQTGBP-ZOBORPQBSA-N 0 0 379.417 -1.303 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cccc4c[nH]nc43)[C@@H](O)C2)O1 ZINC000969466215 1073420498 /nfs/dbraw/zinc/42/04/98/1073420498.db2.gz NEFITQVCWLUCTC-ZOBORPQBSA-N 0 0 387.396 -1.103 20 0 GAADRN Cc1cc(C)n2ncc(C(=O)N[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3O)c2n1 ZINC000969468614 1073421394 /nfs/dbraw/zinc/42/13/94/1073421394.db2.gz JOOXRBLUTFZIHC-WVWOOGAGSA-N 0 0 386.412 -1.231 20 0 GAADRN Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)c1C ZINC000969468654 1073421273 /nfs/dbraw/zinc/42/12/73/1073421273.db2.gz LNSHFPZJKOLAGK-NOOOWODRSA-N 0 0 393.400 -1.867 20 0 GAADRN Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2O)c1C ZINC000969469092 1073421302 /nfs/dbraw/zinc/42/13/02/1073421302.db2.gz SAOQRVZBYIDZDU-XQHKEYJVSA-N 0 0 391.428 -1.175 20 0 GAADRN Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2O)c1C ZINC000969470780 1073420535 /nfs/dbraw/zinc/42/05/35/1073420535.db2.gz GYNFTPMZYYEVQY-WBMYTEFPSA-N 0 0 393.444 -1.180 20 0 GAADRN Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@@H]2O)c1C ZINC000969471322 1073420430 /nfs/dbraw/zinc/42/04/30/1073420430.db2.gz WJAFAFFZPJYKKP-OPDFLTKYSA-N 0 0 380.401 -1.096 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnn4cccnc34)[C@@H](O)C2)C1 ZINC000969472935 1073420428 /nfs/dbraw/zinc/42/04/28/1073420428.db2.gz FKZLTSGLCDJLOP-ZRJCITRHSA-N 0 0 386.412 -1.055 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn4cccnc34)[C@@H](O)C2)O1 ZINC000969473003 1073420433 /nfs/dbraw/zinc/42/04/33/1073420433.db2.gz GHQKKTNGEDRSCA-REBRKWNGSA-N 0 0 388.428 -1.250 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 ZINC000969473068 1073420558 /nfs/dbraw/zinc/42/05/58/1073420558.db2.gz JOCQNIZQRFFGRW-GHYVTOPFSA-N 0 0 375.385 -1.165 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 ZINC000969474726 1073420410 /nfs/dbraw/zinc/42/04/10/1073420410.db2.gz GBOAGUVKFHSHLC-WVWOOGAGSA-N 0 0 386.412 -1.245 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn4cccnc34)[C@@H](O)C2)C1 ZINC000969475235 1073421361 /nfs/dbraw/zinc/42/13/61/1073421361.db2.gz LHYYUUYAOJFNEB-WVWOOGAGSA-N 0 0 386.412 -1.068 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn4cccnc34)[C@@H](O)C2)O1 ZINC000969476364 1073421351 /nfs/dbraw/zinc/42/13/51/1073421351.db2.gz YLFIBGWMQXRNQI-MROQNXINSA-N 0 0 388.384 -1.936 20 0 GAADRN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1O ZINC000969477636 1073421167 /nfs/dbraw/zinc/42/11/67/1073421167.db2.gz CZYUCXJZOWUECO-NOOOWODRSA-N 0 0 380.405 -1.950 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 ZINC000969477753 1073421344 /nfs/dbraw/zinc/42/13/44/1073421344.db2.gz HKRRPIHQWLXALL-UTNFCUCBSA-N 0 0 391.424 -1.180 20 0 GAADRN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O ZINC000969481412 1073421330 /nfs/dbraw/zinc/42/13/30/1073421330.db2.gz HMZIQHODXZNRAA-WYUUTHIRSA-N 0 0 380.405 -1.772 20 0 GAADRN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1O ZINC000969484065 1073421400 /nfs/dbraw/zinc/42/14/00/1073421400.db2.gz WLVVOEZBRADIDG-MKHNBGRSSA-N 0 0 393.322 -1.239 20 0 GAADRN COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)c1 ZINC000969488874 1073421193 /nfs/dbraw/zinc/42/11/93/1073421193.db2.gz DFEQBKIDJOGFDI-ZOBORPQBSA-N 0 0 378.385 -1.575 20 0 GAADRN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1O ZINC000969489224 1073421234 /nfs/dbraw/zinc/42/12/34/1073421234.db2.gz LDSVBGCUAHINLU-GUIRCDHDSA-N 0 0 389.416 -1.284 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC000969494682 1073421919 /nfs/dbraw/zinc/42/19/19/1073421919.db2.gz GJGJEBFMGNXNIN-RQJABVFESA-N 0 0 384.396 -1.105 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)c1=O ZINC000969494872 1073421976 /nfs/dbraw/zinc/42/19/76/1073421976.db2.gz JTMQBHDTDPDSEE-RPLXWKFWSA-N 0 0 378.385 -1.645 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)c1=O ZINC000969495117 1073421909 /nfs/dbraw/zinc/42/19/09/1073421909.db2.gz MAHFJEOWDRPMSK-DMWPJOQESA-N 0 0 393.400 -2.311 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2O)c1=O ZINC000969495131 1073421939 /nfs/dbraw/zinc/42/19/39/1073421939.db2.gz MGYFPUROVAUVSA-RQSQLSILSA-N 0 0 388.384 -1.686 20 0 GAADRN CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)CC[N@@H+]1C ZINC000969495794 1073421246 /nfs/dbraw/zinc/42/12/46/1073421246.db2.gz SWXQYHNUZNDDRP-ASEORRQLSA-N 0 0 393.444 -1.482 20 0 GAADRN C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)[C@@H](O)C2)CC[N@@H+]1C ZINC000969495941 1073421706 /nfs/dbraw/zinc/42/17/06/1073421706.db2.gz XZRICPDWJDPOEY-WFFHOREQSA-N 0 0 379.417 -1.872 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@@H]2O)c1=O ZINC000969498899 1073421855 /nfs/dbraw/zinc/42/18/55/1073421855.db2.gz HRBOPUDZBDGHPT-WLHTULFXSA-N 0 0 392.412 -1.253 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2O)c1=O ZINC000969499135 1073421744 /nfs/dbraw/zinc/42/17/44/1073421744.db2.gz LCWASERWWUXTKC-RPBAJXBJSA-N 0 0 390.396 -1.789 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@@H]2O)c1=O ZINC000969499260 1073421991 /nfs/dbraw/zinc/42/19/91/1073421991.db2.gz NBQGWLAUPCZAQU-ZZVYKPCYSA-N 0 0 392.412 -1.398 20 0 GAADRN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2O)c1=O ZINC000969499484 1073422006 /nfs/dbraw/zinc/42/20/06/1073422006.db2.gz RQECJSJKVTZNCJ-IKOPJOCTSA-N 0 0 392.412 -1.398 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn4nnnc4c3)[C@@H](O)C2)O1 ZINC000969503714 1073422019 /nfs/dbraw/zinc/42/20/19/1073422019.db2.gz BXNJEKMNYGHOBV-RUZUBIRVSA-N 0 0 389.416 -1.855 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC000969504333 1073422746 /nfs/dbraw/zinc/42/27/46/1073422746.db2.gz JIAODQJEGPDBCR-TWJQMWNJSA-N 0 0 376.373 -1.770 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1O)c1ccn2nnnc2c1 ZINC000969504718 1073422720 /nfs/dbraw/zinc/42/27/20/1073422720.db2.gz QRKBPPDRHHGKSW-OXHZDVMGSA-N 0 0 382.384 -1.047 20 0 GAADRN COc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000969506699 1073422676 /nfs/dbraw/zinc/42/26/76/1073422676.db2.gz HAYYRZBRZCFYFS-DNIRFERGSA-N 0 0 379.417 -1.368 20 0 GAADRN COc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1O ZINC000969507125 1073421725 /nfs/dbraw/zinc/42/17/25/1073421725.db2.gz MTPZBBLNOHGSNT-DNIRFERGSA-N 0 0 379.417 -1.546 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn4nnnc4c3)[C@@H](O)C2)C1 ZINC000969507130 1073421764 /nfs/dbraw/zinc/42/17/64/1073421764.db2.gz MXOQBLDMWXVFMD-JHEVNIALSA-N 0 0 387.400 -1.660 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn4nnnc4c3)[C@@H](O)C2)O1 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CN1c2cc(C(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)ccc2CC1=O ZINC000970662105 1073491440 /nfs/dbraw/zinc/49/14/40/1073491440.db2.gz BVSUBJGDOLSTIB-COMQUAJESA-N 0 0 386.408 -1.372 20 0 GAADRN CC(=O)Nc1nc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cs1 ZINC000970662132 1073491446 /nfs/dbraw/zinc/49/14/46/1073491446.db2.gz CIENASRTVSXSND-LOKLDPHHSA-N 0 0 381.414 -1.476 20 0 GAADRN Cc1cccn2cc(CC(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)nc12 ZINC000970662143 1073491425 /nfs/dbraw/zinc/49/14/25/1073491425.db2.gz CMMKLXMCYBVOSV-BARDWOONSA-N 0 0 385.424 -1.005 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@@H]1O ZINC000970662168 1073491360 /nfs/dbraw/zinc/49/13/60/1073491360.db2.gz CSRWUFNQXCLWHJ-MGAJPHDKSA-N 0 0 386.364 -2.007 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@@H]1O ZINC000970662175 1073491414 /nfs/dbraw/zinc/49/14/14/1073491414.db2.gz CSSFDNFKHXNETM-RGOKHQFPSA-N 0 0 381.410 -1.058 20 0 GAADRN 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20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cncn3)n2)C[C@@H]1O ZINC000970662315 1073491408 /nfs/dbraw/zinc/49/14/08/1073491408.db2.gz GGUXCWIAGULLBQ-DNIRFERGSA-N 0 0 385.384 -1.915 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)C[C@@H]1O ZINC000970662380 1073491435 /nfs/dbraw/zinc/49/14/35/1073491435.db2.gz HAETWLAUKZKOEW-DMWPJOQESA-N 0 0 390.396 -1.622 20 0 GAADRN CN(C)C(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970662394 1073491379 /nfs/dbraw/zinc/49/13/79/1073491379.db2.gz HNXPFOGSXMMMBA-BARDWOONSA-N 0 0 388.424 -1.189 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]ncc2Br)C[C@@H]1O ZINC000970662411 637345227 /nfs/dbraw/zinc/34/52/27/637345227.db2.gz ICUWXZOLCSOJEW-BUVSBJAHSA-N 0 0 386.206 -1.405 20 0 GAADRN COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970662427 1073492111 /nfs/dbraw/zinc/49/21/11/1073492111.db2.gz IRMSSIJYODFVQE-CWKFCGSDSA-N 0 0 381.345 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-1.189 20 0 GAADRN Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c1C(F)(F)F ZINC000970662699 1073492674 /nfs/dbraw/zinc/49/26/74/1073492674.db2.gz LTBUQXOKVXPVKX-KDDQHCCQSA-N 0 0 389.334 -1.138 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@@H]1O ZINC000970662702 1073492670 /nfs/dbraw/zinc/49/26/70/1073492670.db2.gz MDAULZYLLQIFDD-YTWAJWBKSA-N 0 0 375.360 -1.104 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@@H]1O ZINC000970662728 1073492727 /nfs/dbraw/zinc/49/27/27/1073492727.db2.gz NJEVZMKZNWGKIG-LOKLDPHHSA-N 0 0 391.413 -1.853 20 0 GAADRN Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970662737 1073492617 /nfs/dbraw/zinc/49/26/17/1073492617.db2.gz NUYSIGKBACAKCK-XQHKEYJVSA-N 0 0 377.401 -1.767 20 0 GAADRN Cc1nn(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c2ncccc12 ZINC000970662819 1073493229 /nfs/dbraw/zinc/49/32/29/1073493229.db2.gz PEWBMMNTJZLNJK-RQJABVFESA-N 0 0 386.412 -1.451 20 0 GAADRN CC(=O)Nc1ccccc1CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970662823 1073493220 /nfs/dbraw/zinc/49/32/20/1073493220.db2.gz PIQBCBZCRNZGCQ-CLWVCHIJSA-N 0 0 388.424 -1.003 20 0 GAADRN Cc1cc(C)n(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c(=O)n1 ZINC000970662838 1073493188 /nfs/dbraw/zinc/49/31/88/1073493188.db2.gz PTLAZOKXPSKQAW-XQHKEYJVSA-N 0 0 377.401 -2.331 20 0 GAADRN CC(=O)NCc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)o1 ZINC000970662912 1073493270 /nfs/dbraw/zinc/49/32/70/1073493270.db2.gz QDCVTXPDYMYMIP-XQHKEYJVSA-N 0 0 378.385 -1.661 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1O ZINC000970662935 1073493171 /nfs/dbraw/zinc/49/31/71/1073493171.db2.gz RABZEYZPIFCSTE-DMWPJOQESA-N 0 0 389.368 -2.165 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)C[C@@H]1O ZINC000970662938 1073493248 /nfs/dbraw/zinc/49/32/48/1073493248.db2.gz RBYDFBIWFNNANE-XQHKEYJVSA-N 0 0 388.384 -1.658 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)C[C@@H]1O ZINC000970662940 1073493259 /nfs/dbraw/zinc/49/32/59/1073493259.db2.gz RDDOJQRQWYPJIT-WVWOOGAGSA-N 0 0 384.396 -1.105 20 0 GAADRN CNC(=O)Nc1cccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c1 ZINC000970662943 1073493182 /nfs/dbraw/zinc/49/31/82/1073493182.db2.gz RKEPHDSYAZLBJI-RQJABVFESA-N 0 0 389.412 -1.139 20 0 GAADRN Cn1ncc(C(F)(F)F)c1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970662944 1073493295 /nfs/dbraw/zinc/49/32/95/1073493295.db2.gz RKGLRNKSETWPRJ-KDDQHCCQSA-N 0 0 389.334 -1.138 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000970662946 1073492632 /nfs/dbraw/zinc/49/26/32/1073492632.db2.gz RNAYAXRNXJOKCY-BUVSBJAHSA-N 0 0 375.307 -1.149 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@@H]1O ZINC000970662954 1073492693 /nfs/dbraw/zinc/49/26/93/1073492693.db2.gz RUMVITLOPMYCMK-BARDWOONSA-N 0 0 384.396 -1.310 20 0 GAADRN CC(C)Oc1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cn1 ZINC000970662960 1073492687 /nfs/dbraw/zinc/49/26/87/1073492687.db2.gz SDQUBIVENBDHSZ-DNIRFERGSA-N 0 0 377.401 -1.313 20 0 GAADRN Cn1cc(-c2c[nH]cc2C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cn1 ZINC000970662963 1073492663 /nfs/dbraw/zinc/49/26/63/1073492663.db2.gz SKCIXXUTKGFVAV-BVIHXZOGSA-N 0 0 386.412 -1.162 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@@H]1O ZINC000970662973 1073493204 /nfs/dbraw/zinc/49/32/04/1073493204.db2.gz SWTCTMFFQNTERJ-WVWOOGAGSA-N 0 0 389.412 -1.312 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C3CCOCC3)n2)C[C@@H]1O ZINC000970662975 1073493212 /nfs/dbraw/zinc/49/32/12/1073493212.db2.gz SYJVFDGCPGQPSH-CZXHOFHRSA-N 0 0 392.412 -1.009 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@@H]1O ZINC000970662977 1073493162 /nfs/dbraw/zinc/49/31/62/1073493162.db2.gz 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0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1O ZINC000970665840 1073499518 /nfs/dbraw/zinc/49/95/18/1073499518.db2.gz ZMRJPNPTGMUSHP-OSRDXIQISA-N 0 0 384.396 -1.310 20 0 GAADRN CCn1nc(C)c(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)n1 ZINC000970665865 1073499442 /nfs/dbraw/zinc/49/94/42/1073499442.db2.gz ZZASXQJXFLIDRC-LOWDOPEQSA-N 0 0 378.433 -1.368 20 0 GAADRN NC(=O)c1cccc(OCC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c1 ZINC000970667950 1073499973 /nfs/dbraw/zinc/49/99/73/1073499973.db2.gz AAKCLEDVCMYOKP-RQJABVFESA-N 0 0 390.396 -2.026 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCc3sccc3C2)C[C@@H]1O ZINC000970667975 1073499963 /nfs/dbraw/zinc/49/99/63/1073499963.db2.gz AVHSBXZCJYRNSO-RQJABVFESA-N 0 0 392.481 -1.085 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@H]1O ZINC000970667995 1073499998 /nfs/dbraw/zinc/49/99/98/1073499998.db2.gz BGVNYQPJOQHKJJ-XQHKEYJVSA-N 0 0 375.381 -1.119 20 0 GAADRN Cc1sc(=O)n(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c1C ZINC000970668017 1073499946 /nfs/dbraw/zinc/49/99/46/1073499946.db2.gz BYAYMIKXCBMBHZ-KXNHARMFSA-N 0 0 382.442 -1.664 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@@H]2O)C1 ZINC000970668033 1073499924 /nfs/dbraw/zinc/49/99/24/1073499924.db2.gz CFXVFAQWHGUOLN-DNIRFERGSA-N 0 0 387.400 -1.673 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@@H]1O ZINC000970668044 1073499930 /nfs/dbraw/zinc/49/99/30/1073499930.db2.gz CUHWEWXXHVXGQC-OICBVUGWSA-N 0 0 375.429 -1.429 20 0 GAADRN CC(=O)NCc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668057 1073499942 /nfs/dbraw/zinc/49/99/42/1073499942.db2.gz DDTGNZGTWFEOLM-QXSJWSMHSA-N 0 0 388.424 -1.254 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1O ZINC000970668068 1073499954 /nfs/dbraw/zinc/49/99/54/1073499954.db2.gz DIUGLABGPRJOOT-KXNHARMFSA-N 0 0 388.446 -3.474 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@@H]1O ZINC000970668081 1073499957 /nfs/dbraw/zinc/49/99/57/1073499957.db2.gz DTFAMXIWQBSKQE-XQHKEYJVSA-N 0 0 375.381 -1.119 20 0 GAADRN COc1ccc(OCC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668084 1073499950 /nfs/dbraw/zinc/49/99/50/1073499950.db2.gz DUHIQCUBNALZOM-BARDWOONSA-N 0 0 377.397 -1.117 20 0 GAADRN Cc1cc2nc(C)cc(C(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)n2n1 ZINC000970668086 1073500013 /nfs/dbraw/zinc/50/00/13/1073500013.db2.gz DYSXYJONNPCNIO-CZXHOFHRSA-N 0 0 386.412 -1.231 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@@H]1O ZINC000970668097 1073499959 /nfs/dbraw/zinc/49/99/59/1073499959.db2.gz FGELAKXOCSZILT-WVWOOGAGSA-N 0 0 384.396 -1.310 20 0 GAADRN Cc1nn(C)c2nc(C(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)ccc12 ZINC000970668248 1073500619 /nfs/dbraw/zinc/50/06/19/1073500619.db2.gz HJWDKBBQIGUYAY-WVWOOGAGSA-N 0 0 386.412 -1.300 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@@H]1O ZINC000970668252 1073500458 /nfs/dbraw/zinc/50/04/58/1073500458.db2.gz HNRCGCBURBMGOO-KTMIJUKYSA-N 0 0 384.392 -1.049 20 0 GAADRN NC(=O)c1ccc(CCC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668261 1073500551 /nfs/dbraw/zinc/50/05/51/1073500551.db2.gz IBJPWOUDWOTBKU-BARDWOONSA-N 0 0 388.424 -1.473 20 0 GAADRN Cc1nc(N(C)C)sc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970668264 1073500488 /nfs/dbraw/zinc/50/04/88/1073500488.db2.gz IFTIBJZTQZZUHP-YTWAJWBKSA-N 0 0 381.458 -1.060 20 0 GAADRN CC(=O)Nc1c[nH]c(C)c1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970668269 1073500567 /nfs/dbraw/zinc/50/05/67/1073500567.db2.gz IKWXEIVWGNCQEF-DNIRFERGSA-N 0 0 377.401 -1.296 20 0 GAADRN COCCn1nc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)ccc1=O ZINC000970668271 1073500626 /nfs/dbraw/zinc/50/06/26/1073500626.db2.gz IMWBLWJXDGCMQT-DNIRFERGSA-N 0 0 393.400 -2.687 20 0 GAADRN Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)n(C)n1 ZINC000970668287 1073500387 /nfs/dbraw/zinc/50/03/87/1073500387.db2.gz JGCSUTMKIMDGGI-OSRDXIQISA-N 0 0 377.445 -1.139 20 0 GAADRN Cn1c2ccc(C(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)cc2[nH]c1=O ZINC000970668290 1073500406 /nfs/dbraw/zinc/50/04/06/1073500406.db2.gz JIDKMTRBXCNVEC-JCRCQARHSA-N 0 0 387.396 -1.298 20 0 GAADRN Cn1c(=O)ccn(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)c1=O ZINC000970668296 1073500578 /nfs/dbraw/zinc/50/05/78/1073500578.db2.gz JNDKIJFZXFGVGR-YTWAJWBKSA-N 0 0 379.373 -3.644 20 0 GAADRN NC(=O)c1ccc(OCC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668305 1073500515 /nfs/dbraw/zinc/50/05/15/1073500515.db2.gz JVRMHRRUCHEMKN-RQJABVFESA-N 0 0 390.396 -2.026 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1O ZINC000970668313 1073500600 /nfs/dbraw/zinc/50/06/00/1073500600.db2.gz KKJWETZIRSYHJE-KXNHARMFSA-N 0 0 388.446 -2.779 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]2O)C1 ZINC000970668409 1073500611 /nfs/dbraw/zinc/50/06/11/1073500611.db2.gz AGJZYTCGGAOURH-OSRDXIQISA-N 0 0 390.444 -1.255 20 0 GAADRN Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)n(C)c1=O ZINC000970668412 1073500419 /nfs/dbraw/zinc/50/04/19/1073500419.db2.gz AHRIMLSQDKGASO-XZUYRWCXSA-N 0 0 379.417 -2.073 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4ccnn43)C[C@@H]2O)C1 ZINC000970668446 1073500526 /nfs/dbraw/zinc/50/05/26/1073500526.db2.gz AZKBSCNRYGVDLV-CZXHOFHRSA-N 0 0 386.412 -1.068 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccc(=O)[nH]c3)C[C@@H]2O)C1 ZINC000970668477 1073500537 /nfs/dbraw/zinc/50/05/37/1073500537.db2.gz BSMYIRCDBOBHSA-RQJABVFESA-N 0 0 376.413 -1.081 20 0 GAADRN Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cc1=O ZINC000970668482 1073500589 /nfs/dbraw/zinc/50/05/89/1073500589.db2.gz BYQOVARILZFHNK-DNIRFERGSA-N 0 0 377.401 -2.017 20 0 GAADRN NC(=O)c1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)co1 ZINC000970668523 1073500638 /nfs/dbraw/zinc/50/06/38/1073500638.db2.gz DONVELSFBMONML-DMWPJOQESA-N 0 0 378.385 -1.418 20 0 GAADRN Cn1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cc1=O ZINC000970668532 1073500503 /nfs/dbraw/zinc/50/05/03/1073500503.db2.gz FBLOFSJBOATMHT-WVWOOGAGSA-N 0 0 376.413 -1.412 20 0 GAADRN NC(=O)c1ncccc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970668660 1073501181 /nfs/dbraw/zinc/50/11/81/1073501181.db2.gz KYHWQCUAFBQDSA-DNIRFERGSA-N 0 0 389.412 -1.616 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1O ZINC000970668669 1073501170 /nfs/dbraw/zinc/50/11/70/1073501170.db2.gz LFVYNCIOBVXLQV-XQHKEYJVSA-N 0 0 384.396 -1.105 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccn4c3)C[C@@H]2O)C1 ZINC000970668672 1073501159 /nfs/dbraw/zinc/50/11/59/1073501159.db2.gz LISUDNHNDYORSO-WVWOOGAGSA-N 0 0 386.412 -1.068 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@@H]1O ZINC000970668677 1073501050 /nfs/dbraw/zinc/50/10/50/1073501050.db2.gz LNZGYBGAICLIAT-RQJABVFESA-N 0 0 375.429 -1.429 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)nc[nH]c3=O)C[C@@H]1O ZINC000970668689 1073501096 /nfs/dbraw/zinc/50/10/96/1073501096.db2.gz MBYGCVYPOZLSDV-WVWOOGAGSA-N 0 0 385.380 -1.242 20 0 GAADRN NC(=O)COc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668692 1073501201 /nfs/dbraw/zinc/50/12/01/1073501201.db2.gz MGRAYVIXTCMVJE-RQJABVFESA-N 0 0 390.396 -2.026 20 0 GAADRN CC(=O)Nc1ccc(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970668697 1073501003 /nfs/dbraw/zinc/50/10/03/1073501003.db2.gz MJXPRABKHUCQBB-QXSJWSMHSA-N 0 0 388.424 -1.003 20 0 GAADRN Cc1cn2nc(C(=O)N3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)cc2c(=O)[nH]1 ZINC000970668715 1073501190 /nfs/dbraw/zinc/50/11/90/1073501190.db2.gz NOHFVJZWZCMUGD-PFWNZEGQSA-N 0 0 388.384 -2.246 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2C2CCOCC2)C[C@@H]1O ZINC000970668719 1073501120 /nfs/dbraw/zinc/50/11/20/1073501120.db2.gz NROMPORBCARXBN-COMQUAJESA-N 0 0 391.428 -1.343 20 0 GAADRN Cn1nc(C2CC2)nc1CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970668720 1073501103 /nfs/dbraw/zinc/50/11/03/1073501103.db2.gz NRXGJTNWUKPKHM-KXNHARMFSA-N 0 0 376.417 -1.956 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@@H]2O)C1 ZINC000970668761 1073501026 /nfs/dbraw/zinc/50/10/26/1073501026.db2.gz HFOPPBDHOUYPSV-DNIRFERGSA-N 0 0 377.401 -1.521 20 0 GAADRN NC(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)c1 ZINC000970668774 1073501039 /nfs/dbraw/zinc/50/10/39/1073501039.db2.gz HXMBZWWNIMUOEZ-OSRDXIQISA-N 0 0 388.424 -1.011 20 0 GAADRN COc1nc(C)ncc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970668779 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ZINC000970674113 1073506927 /nfs/dbraw/zinc/50/69/27/1073506927.db2.gz JBPXVWBWCUJRLR-WVWOOGAGSA-N 0 0 386.412 -1.068 20 0 GAADRN COc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)nn1C ZINC000970674116 1073506998 /nfs/dbraw/zinc/50/69/98/1073506998.db2.gz JDCFAKZUVLDXHI-DNIRFERGSA-N 0 0 379.417 -1.368 20 0 GAADRN CN(C)c1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cn1 ZINC000970674117 1073506800 /nfs/dbraw/zinc/50/68/00/1073506800.db2.gz JDRMUPSGQIWKEM-WVWOOGAGSA-N 0 0 390.444 -1.254 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)n1 ZINC000970674129 1073506774 /nfs/dbraw/zinc/50/67/74/1073506774.db2.gz JPVXIGHQOVSOMP-RQJABVFESA-N 0 0 391.428 -1.859 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(CC4CC4)nn3)C[C@@H]2O)C1 ZINC000970674137 1073507068 /nfs/dbraw/zinc/50/70/68/1073507068.db2.gz JTNHPYCIRCEPDA-COMQUAJESA-N 0 0 390.444 -1.109 20 0 GAADRN 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GAADRN COCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cn1 ZINC000970674322 1073503984 /nfs/dbraw/zinc/50/39/84/1073503984.db2.gz LJZCXTKNSDAXCZ-OSRDXIQISA-N 0 0 393.444 -1.267 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@@H]1O ZINC000970674358 1073504056 /nfs/dbraw/zinc/50/40/56/1073504056.db2.gz MXWYDARIELQTGX-JLNYLFASSA-N 0 0 390.444 -1.286 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2O)C1 ZINC000970674367 1073503953 /nfs/dbraw/zinc/50/39/53/1073503953.db2.gz NETJGZYTJHKVBD-RQJABVFESA-N 0 0 380.445 -1.412 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1O ZINC000970674381 1073504122 /nfs/dbraw/zinc/50/41/22/1073504122.db2.gz NYKUXPFXDARNFO-LOWDOPEQSA-N 0 0 387.400 -1.850 20 0 GAADRN Cn1ccnc1CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970674390 1073504076 /nfs/dbraw/zinc/50/40/76/1073504076.db2.gz OHXYMFADYXTWFX-RQJABVFESA-N 0 0 377.445 -1.058 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2O)C1 ZINC000970674392 1073504107 /nfs/dbraw/zinc/50/41/07/1073504107.db2.gz OLFRXRUGQMLERI-DMWPJOQESA-N 0 0 380.401 -2.371 20 0 GAADRN COCc1nc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)co1 ZINC000970674397 1073504116 /nfs/dbraw/zinc/50/41/16/1073504116.db2.gz OMFHTIWOFKTCBK-WGBDABJCSA-N 0 0 380.401 -1.153 20 0 GAADRN CN(C)c1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)nn1 ZINC000970674407 1073504088 /nfs/dbraw/zinc/50/40/88/1073504088.db2.gz OWWGGVMSZUZPHS-WVWOOGAGSA-N 0 0 390.444 -1.254 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1O ZINC000970674422 1073504139 /nfs/dbraw/zinc/50/41/39/1073504139.db2.gz PMIZSNRWIDQRCR-DGAVXFQQSA-N 0 0 379.417 -1.789 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4cccnc4n3)C[C@@H]2O)C1 ZINC000970674535 1073504063 /nfs/dbraw/zinc/50/40/63/1073504063.db2.gz QEAQKIRVNMPKKX-CZXHOFHRSA-N 0 0 386.412 -1.068 20 0 GAADRN COCCn1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)n1 ZINC000970674569 1073504047 /nfs/dbraw/zinc/50/40/47/1073504047.db2.gz QMAGCNIKRDRGTP-OSRDXIQISA-N 0 0 393.444 -1.267 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@@H]2O)C1 ZINC000970674572 1073504129 /nfs/dbraw/zinc/50/41/29/1073504129.db2.gz QPESLGIKTOHVMT-DNIRFERGSA-N 0 0 387.400 -1.673 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1O ZINC000970674574 1073504600 /nfs/dbraw/zinc/50/46/00/1073504600.db2.gz QSWRHCWPPDOELA-YJNKXOJESA-N 0 0 375.429 -1.179 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2O)C1 ZINC000970674597 1073504575 /nfs/dbraw/zinc/50/45/75/1073504575.db2.gz SENQILMPBTXSDP-XQHKEYJVSA-N 0 0 381.433 -2.009 20 0 GAADRN Cn1cccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)c1=O ZINC000970674600 1073504546 /nfs/dbraw/zinc/50/45/46/1073504546.db2.gz SLUBYJHKSJZIGV-WVWOOGAGSA-N 0 0 376.413 -1.412 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ncccn3)C[C@@H]2O)C1 ZINC000970674604 1073504684 /nfs/dbraw/zinc/50/46/84/1073504684.db2.gz SOYHYTKLLMAUAU-RQJABVFESA-N 0 0 375.429 -1.001 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O ZINC000970674607 1073504559 /nfs/dbraw/zinc/50/45/59/1073504559.db2.gz SUBZOPZIYIWWCM-ZDCRXTMVSA-N 0 0 381.389 -3.050 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cnccn3)C[C@@H]2O)C1 ZINC000970674613 1073504734 /nfs/dbraw/zinc/50/47/34/1073504734.db2.gz SXXHYJSCCSJXJO-OSRDXIQISA-N 0 0 375.429 -1.001 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2O)C1 ZINC000970674628 1073504492 /nfs/dbraw/zinc/50/44/92/1073504492.db2.gz UIRBSOZXZQJABX-BARDWOONSA-N 0 0 382.461 -1.702 20 0 GAADRN COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970674696 1073504727 /nfs/dbraw/zinc/50/47/27/1073504727.db2.gz VEXOPMXUQMMIFR-KXNHARMFSA-N 0 0 392.412 -1.001 20 0 GAADRN Cn1cncc1CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970674698 1073504668 /nfs/dbraw/zinc/50/46/68/1073504668.db2.gz VGPXWWQFEXVHGX-OSRDXIQISA-N 0 0 377.445 -1.058 20 0 GAADRN COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)cn1 ZINC000970674709 1073504691 /nfs/dbraw/zinc/50/46/91/1073504691.db2.gz VXSAJWNDPDDUHW-LOWDOPEQSA-N 0 0 377.401 -1.489 20 0 GAADRN Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)ncc1=O ZINC000970674713 1073504624 /nfs/dbraw/zinc/50/46/24/1073504624.db2.gz WBITVUIWTFGJNM-XZUYRWCXSA-N 0 0 377.401 -2.017 20 0 GAADRN COc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)ncn1 ZINC000970674715 1073504700 /nfs/dbraw/zinc/50/47/00/1073504700.db2.gz WELSAVYFHALVJZ-DNIRFERGSA-N 0 0 377.401 -1.312 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@@H]1O ZINC000970674717 1073504720 /nfs/dbraw/zinc/50/47/20/1073504720.db2.gz WHMCFRJEYJRRBP-DGAVXFQQSA-N 0 0 391.428 -1.954 20 0 GAADRN Cn1cc(OCC(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cn1 ZINC000970674722 1073504659 /nfs/dbraw/zinc/50/46/59/1073504659.db2.gz WLPSIBDOYBSYOT-WVWOOGAGSA-N 0 0 379.417 -1.612 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nncn4c3)C[C@@H]2O)C1 ZINC000970674727 1073504535 /nfs/dbraw/zinc/50/45/35/1073504535.db2.gz WNMFLDAKWHBMAG-WVWOOGAGSA-N 0 0 386.412 -1.068 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3OCCC4)C[C@@H]2O)C1 ZINC000970674729 1073504649 /nfs/dbraw/zinc/50/46/49/1073504649.db2.gz WQEWNRUOMMNHRG-WVWOOGAGSA-N 0 0 391.428 -1.131 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]2O)C1 ZINC000970674735 1073504710 /nfs/dbraw/zinc/50/47/10/1073504710.db2.gz WWYIGJYZVUOASE-WVWOOGAGSA-N 0 0 391.428 -1.131 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2O)C1 ZINC000970674747 1073504640 /nfs/dbraw/zinc/50/46/40/1073504640.db2.gz XRPSPCGHVQFZNH-RQJABVFESA-N 0 0 391.428 -1.777 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]2O)C1 ZINC000970674751 1073504612 /nfs/dbraw/zinc/50/46/12/1073504612.db2.gz XYJSVOZRSZIMDX-DMWPJOQESA-N 0 0 387.400 -1.444 20 0 GAADRN COc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)ncn1 ZINC000970674755 1073505095 /nfs/dbraw/zinc/50/50/95/1073505095.db2.gz XZVFEULCOGOREC-YGNMPJRFSA-N 0 0 377.401 -1.489 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1O ZINC000970674758 1073505219 /nfs/dbraw/zinc/50/52/19/1073505219.db2.gz YERTWSLCPHVPIX-LOWDOPEQSA-N 0 0 392.412 -1.667 20 0 GAADRN COc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cnn1C ZINC000970674761 1073505170 /nfs/dbraw/zinc/50/51/70/1073505170.db2.gz YLDNQNWFCJMBQA-DNIRFERGSA-N 0 0 379.417 -1.368 20 0 GAADRN Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970674763 1073505230 /nfs/dbraw/zinc/50/52/30/1073505230.db2.gz YLWYPRNUNVKBRM-JCRCQARHSA-N 0 0 391.428 -1.673 20 0 GAADRN CC(C)n1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)nn1 ZINC000970674767 1073505288 /nfs/dbraw/zinc/50/52/88/1073505288.db2.gz YNRZYNLZUFBRPS-SFTQSGBHSA-N 0 0 378.433 -1.115 20 0 GAADRN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC000970676029 1073507038 /nfs/dbraw/zinc/50/70/38/1073507038.db2.gz AUJQYPXOQODJAA-VWFAINMRSA-N 0 0 386.412 -1.048 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC000970676087 1073507011 /nfs/dbraw/zinc/50/70/11/1073507011.db2.gz DYNOZOODGIIJGL-QOOGKBOQSA-N 0 0 393.444 -1.351 20 0 GAADRN NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2O)[nH]1 ZINC000970676433 1073507667 /nfs/dbraw/zinc/50/76/67/1073507667.db2.gz FQZBYRHHGCPSLD-MHCWDXNASA-N 0 0 392.412 -1.533 20 0 GAADRN Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H](O)C2)cn1 ZINC000970676504 1073507601 /nfs/dbraw/zinc/50/76/01/1073507601.db2.gz GYUJFDSEKOVBME-DRABBMOASA-N 0 0 386.412 -1.048 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H](O)C2)C1 ZINC000970677078 1073506782 /nfs/dbraw/zinc/50/67/82/1073506782.db2.gz QWCBOXGOCHNWCI-STRQVWJDSA-N 0 0 377.401 -1.670 20 0 GAADRN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC000970677255 1073506856 /nfs/dbraw/zinc/50/68/56/1073506856.db2.gz SQRGMKOZGZRDDL-VWFAINMRSA-N 0 0 386.412 -1.048 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC000970677290 1073506970 /nfs/dbraw/zinc/50/69/70/1073506970.db2.gz URJNFVGEAWFSRU-DTVLGXAZSA-N 0 0 377.401 -1.861 20 0 GAADRN NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)[nH]1 ZINC000970677292 1073506896 /nfs/dbraw/zinc/50/68/96/1073506896.db2.gz USIJGDAKVQARRC-DTVLGXAZSA-N 0 0 377.401 -1.683 20 0 GAADRN NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)[nH]1 ZINC000970677346 1073507654 /nfs/dbraw/zinc/50/76/54/1073507654.db2.gz 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OYZPQXIITBQZIB-MBJXGIAVSA-N 0 0 376.417 -1.066 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4nnn(C)n4)[C@@H]3C2)O1 ZINC000974823485 1073890524 /nfs/dbraw/zinc/89/05/24/1073890524.db2.gz ZEKMJUCIDYYSBA-FVCCEPFGSA-N 0 0 391.432 -1.481 20 0 GAADRN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 ZINC000974907324 1073891017 /nfs/dbraw/zinc/89/10/17/1073891017.db2.gz PMUCBWRXKSYMMU-FOUMNBMASA-N 0 0 389.412 -1.081 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cnnn4)[C@@H]3C2)O1 ZINC000974907546 1073891086 /nfs/dbraw/zinc/89/10/86/1073891086.db2.gz MDJGHBMOWOSOLU-FVCCEPFGSA-N 0 0 377.405 -1.845 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC000974908653 1073891076 /nfs/dbraw/zinc/89/10/76/1073891076.db2.gz QHSJTWKVQWTJDV-YIYPIFLZSA-N 0 0 375.433 -1.153 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cnnn4)[C@@H]3C2)O1 ZINC000974909020 1073891156 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1073891270 /nfs/dbraw/zinc/89/12/70/1073891270.db2.gz PGGTUXNKMKHMMQ-SYQHCUMBSA-N 0 0 378.429 -1.299 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)[C@@H]3C2)O1 ZINC000974968858 1073891212 /nfs/dbraw/zinc/89/12/12/1073891212.db2.gz KUZHXWPOICHKAN-YIYPIFLZSA-N 0 0 392.456 -1.053 20 0 GAADRN Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)[nH]c1=O ZINC000975016136 1073891681 /nfs/dbraw/zinc/89/16/81/1073891681.db2.gz COKQHWLUJAEYPB-FOUMNBMASA-N 0 0 377.401 -1.169 20 0 GAADRN CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 ZINC000975141773 1073891784 /nfs/dbraw/zinc/89/17/84/1073891784.db2.gz DWEWNNIMBHFYRY-WISYIIOYSA-N 0 0 391.428 -1.503 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC000975168431 1073892303 /nfs/dbraw/zinc/89/23/03/1073892303.db2.gz BNYPACQJFYDRAQ-WISYIIOYSA-N 0 0 377.401 -1.891 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc(=O)[nH]n4)C[C@H]32)O1 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1074404431 /nfs/dbraw/zinc/40/44/31/1074404431.db2.gz AMVCDZINSMOEPU-ZOBORPQBSA-N 0 0 376.417 -1.021 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC000990788390 1074405909 /nfs/dbraw/zinc/40/59/09/1074405909.db2.gz ATLHUPHVDDQPMA-ZOBORPQBSA-N 0 0 376.417 -1.021 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC000990793078 1074406542 /nfs/dbraw/zinc/40/65/42/1074406542.db2.gz NSUVCPOHFLUZMN-RQJABVFESA-N 0 0 376.417 -1.306 20 0 GAADRN CC(C)(F)C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC000990798276 1074406575 /nfs/dbraw/zinc/40/65/75/1074406575.db2.gz HPJGQESVTFEKQF-NOOOWODRSA-N 0 0 382.396 -1.073 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC000990802818 1074408009 /nfs/dbraw/zinc/40/80/09/1074408009.db2.gz FRGHFKVSWCSMBB-XFMPKHEZSA-N 0 0 393.400 -1.162 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC000990802932 1074408070 /nfs/dbraw/zinc/40/80/70/1074408070.db2.gz HUSMQFCCWVZHPT-KXNHARMFSA-N 0 0 376.373 -1.844 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC000990803399 1074407992 /nfs/dbraw/zinc/40/79/92/1074407992.db2.gz GPQLUNMCCLVJGD-DMWPJOQESA-N 0 0 386.372 -1.923 20 0 GAADRN CC(F)(F)C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC000990805426 1074409309 /nfs/dbraw/zinc/40/93/09/1074409309.db2.gz MIUXOCJZIMERQD-VPOLOUISSA-N 0 0 386.359 -1.166 20 0 GAADRN O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC000990805674 1074409090 /nfs/dbraw/zinc/40/90/90/1074409090.db2.gz BZKVOLKFQPBTHA-POQQGIQPSA-N 0 0 387.404 -1.600 20 0 GAADRN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC000990805822 1074409157 /nfs/dbraw/zinc/40/91/57/1074409157.db2.gz DRIPFJGVVXZTJX-CXTNEJHOSA-N 0 0 389.420 -1.352 20 0 GAADRN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](n3ccnn3)C2)O1 ZINC000990806129 1074409369 /nfs/dbraw/zinc/40/93/69/1074409369.db2.gz DYFFFEZLIMWWFY-FVCCEPFGSA-N 0 0 375.393 -1.600 20 0 GAADRN O=C(CN1CCCC1=O)N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC000990806135 1074409114 /nfs/dbraw/zinc/40/91/14/1074409114.db2.gz FDSMAQZBVWQBGC-AHXJXLJNSA-N 0 0 388.428 -1.195 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC000990806214 1074409825 /nfs/dbraw/zinc/40/98/25/1074409825.db2.gz GZJKMSBDOPYQQL-XQHKEYJVSA-N 0 0 389.416 -2.110 20 0 GAADRN O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC000990806253 1074409884 /nfs/dbraw/zinc/40/98/84/1074409884.db2.gz HEPWYPHEQBPITF-OHYMCPICSA-N 0 0 399.415 -1.744 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC000990806285 1074409926 /nfs/dbraw/zinc/40/99/26/1074409926.db2.gz USXIIPKCOMAKTP-RQJABVFESA-N 0 0 385.384 -1.785 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1)c1ccc(=O)[nH]n1 ZINC000990806448 1074410526 /nfs/dbraw/zinc/41/05/26/1074410526.db2.gz VYBYWXSLVYJWGU-IMODNSLOSA-N 0 0 385.384 -1.008 20 0 GAADRN Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC000990806684 1074411097 /nfs/dbraw/zinc/41/10/97/1074411097.db2.gz MVYXQCIQYWQSLH-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC000990806934 1074411340 /nfs/dbraw/zinc/41/13/40/1074411340.db2.gz LOSKHVNKRXLHCS-NMKXLXIOSA-N 0 0 375.393 -1.742 20 0 GAADRN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC000990807259 1074411086 /nfs/dbraw/zinc/41/10/86/1074411086.db2.gz OHDNJZXURPGADG-MQYQWHSLSA-N 0 0 389.420 -1.352 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC000990807505 1074411047 /nfs/dbraw/zinc/41/10/47/1074411047.db2.gz QHAMAPZACQWSQU-OPDFLTKYSA-N 0 0 391.392 -2.363 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC000990808148 1074411205 /nfs/dbraw/zinc/41/12/05/1074411205.db2.gz WNQBTHJKXWXNRS-ATGSNQNLSA-N 0 0 389.416 -1.003 20 0 GAADRN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990811411 1074413107 /nfs/dbraw/zinc/41/31/07/1074413107.db2.gz DFKKEZFTRORHCX-YTWAJWBKSA-N 0 0 390.429 -1.259 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC000990813756 1074413916 /nfs/dbraw/zinc/41/39/16/1074413916.db2.gz GHESXMOODHVGDM-FQLMCAECSA-N 0 0 389.416 -1.153 20 0 GAADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cnn1C ZINC000990819426 1074416950 /nfs/dbraw/zinc/41/69/50/1074416950.db2.gz RJYOMIQTOPNINC-WVWOOGAGSA-N 0 0 386.416 -1.377 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990820301 1074416933 /nfs/dbraw/zinc/41/69/33/1074416933.db2.gz LIGQPECZROYXQC-ZOBORPQBSA-N 0 0 387.400 -1.179 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](n2ccnn2)C1 ZINC000990820769 1074417860 /nfs/dbraw/zinc/41/78/60/1074417860.db2.gz GRNRMSDMFDGUCL-RQJABVFESA-N 0 0 386.416 -1.093 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990820817 1074417822 /nfs/dbraw/zinc/41/78/22/1074417822.db2.gz FXVQIRGABVWHTR-REBRKWNGSA-N 0 0 388.432 -1.098 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](n2ccnn2)C1 ZINC000990821164 1074417961 /nfs/dbraw/zinc/41/79/61/1074417961.db2.gz ULVPJPMDFPJYBW-WVWOOGAGSA-N 0 0 386.416 -1.093 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990822158 1074418665 /nfs/dbraw/zinc/41/86/65/1074418665.db2.gz YSTYJAHHKOUHKF-MROQNXINSA-N 0 0 388.388 -1.784 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](n3ccnn3)C2)O1 ZINC000990823702 1074418611 /nfs/dbraw/zinc/41/86/11/1074418611.db2.gz YVBHXLLHFXLUQE-MROQNXINSA-N 0 0 388.388 -1.784 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](n3ccnn3)C2)O1 ZINC000990825068 1074418521 /nfs/dbraw/zinc/41/85/21/1074418521.db2.gz SRVJFRPLIUXRDB-REBRKWNGSA-N 0 0 388.432 -1.098 20 0 GAADRN CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)[nH]n1 ZINC000990825208 1074418387 /nfs/dbraw/zinc/41/83/87/1074418387.db2.gz OPAFRVKADUXFAH-WVWOOGAGSA-N 0 0 386.416 -1.133 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](n2ccnn2)C1 ZINC000990825698 1074418497 /nfs/dbraw/zinc/41/84/97/1074418497.db2.gz XDKAXDPEVKEARA-GHYVTOPFSA-N 0 0 375.389 -1.013 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](n2ccnn2)C1 ZINC000990826127 1074418511 /nfs/dbraw/zinc/41/85/11/1074418511.db2.gz ZYFRQTWLUVADEO-GHYVTOPFSA-N 0 0 375.389 -1.013 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC000990827377 1074419429 /nfs/dbraw/zinc/41/94/29/1074419429.db2.gz DWYZKTJGMABGGZ-NEBZKDRISA-N 0 0 389.416 -1.003 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnsn2)[C@@H](n2ccnn2)C1 ZINC000990827889 1074419481 /nfs/dbraw/zinc/41/94/81/1074419481.db2.gz BRPWUHCQQWRSKR-MKHNBGRSSA-N 0 0 376.402 -1.567 20 0 GAADRN Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990828416 1074419390 /nfs/dbraw/zinc/41/93/90/1074419390.db2.gz GHVYTSUPRFDQKH-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC000990829054 1074419288 /nfs/dbraw/zinc/41/92/88/1074419288.db2.gz MWKAXHHAXXXFQZ-RGOKHQFPSA-N 0 0 376.402 -1.567 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](n3ccnn3)C2)O1 ZINC000990829587 1074419473 /nfs/dbraw/zinc/41/94/73/1074419473.db2.gz PXSGRMAJDAEJOV-MROQNXINSA-N 0 0 389.372 -1.519 20 0 GAADRN Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990829767 1074419221 /nfs/dbraw/zinc/41/92/21/1074419221.db2.gz CRCNRRXGYWAASR-WVWOOGAGSA-N 0 0 386.416 -1.377 20 0 GAADRN Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC000990830859 1074419505 /nfs/dbraw/zinc/41/95/05/1074419505.db2.gz JPNSCBUOKDFTIY-RQJABVFESA-N 0 0 386.416 -1.756 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC000990830901 1074419934 /nfs/dbraw/zinc/41/99/34/1074419934.db2.gz KBBYNJZBSLOWCN-RQJABVFESA-N 0 0 386.416 -1.202 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)no1 ZINC000990832244 1074419906 /nfs/dbraw/zinc/41/99/06/1074419906.db2.gz BRDGRBHUYUEDTA-RQJABVFESA-N 0 0 387.400 -1.193 20 0 GAADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n(C)n1 ZINC000990834110 1074419818 /nfs/dbraw/zinc/41/98/18/1074419818.db2.gz TZVKGCSDJNDSCP-CZXHOFHRSA-N 0 0 386.416 -1.377 20 0 GAADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)nn1C ZINC000990834136 1074419901 /nfs/dbraw/zinc/41/99/01/1074419901.db2.gz UEPNKSXLCXHXTH-WVWOOGAGSA-N 0 0 386.416 -1.377 20 0 GAADRN Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1 ZINC000990834219 1074419788 /nfs/dbraw/zinc/41/97/88/1074419788.db2.gz VAISCVLOISLEIU-RQJABVFESA-N 0 0 386.416 -1.527 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2nccnc2N)[C@@H](n2ccnn2)C1 ZINC000990834564 1074419806 /nfs/dbraw/zinc/41/98/06/1074419806.db2.gz QMQJZORWNDEWLQ-YTWAJWBKSA-N 0 0 385.388 -2.046 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](n3ccnn3)C2)O1 ZINC000990834735 1074419895 /nfs/dbraw/zinc/41/98/95/1074419895.db2.gz LGEPYVNKJJOUQJ-LPTSXCQYSA-N 0 0 389.372 -1.519 20 0 GAADRN Nc1nccnc1C(=O)N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC000990835239 1074419878 /nfs/dbraw/zinc/41/98/78/1074419878.db2.gz UWGLOUXFKQYINO-JJHQXXDFSA-N 0 0 384.400 -1.131 20 0 GAADRN Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1C ZINC000990835473 1074419919 /nfs/dbraw/zinc/41/99/19/1074419919.db2.gz XDXRURRGUQCJHQ-XQHKEYJVSA-N 0 0 386.416 -1.079 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC000990838834 1074420452 /nfs/dbraw/zinc/42/04/52/1074420452.db2.gz MJYAIZFBGZOEAX-DNIRFERGSA-N 0 0 385.384 -1.318 20 0 GAADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2n2ccnn2)nnn1C ZINC000990842212 1074420564 /nfs/dbraw/zinc/42/05/64/1074420564.db2.gz NKTWVOJORFHGEU-LKQDWFRTSA-N 0 0 386.416 -1.067 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1 ZINC000990842749 1074420503 /nfs/dbraw/zinc/42/05/03/1074420503.db2.gz RAYGUKNJBDWQST-AEIGPULVSA-N 0 0 389.416 -1.084 20 0 GAADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)nnn1C ZINC000990843468 1074420532 /nfs/dbraw/zinc/42/05/32/1074420532.db2.gz VONQXRXZOYOZES-KXNHARMFSA-N 0 0 387.404 -1.982 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n[nH]1 ZINC000990844150 1074420425 /nfs/dbraw/zinc/42/04/25/1074420425.db2.gz MRPYVIZRUCOYCF-RQJABVFESA-N 0 0 386.416 -1.458 20 0 GAADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)ncn1 ZINC000990845099 1074420551 /nfs/dbraw/zinc/42/05/51/1074420551.db2.gz AKRALIUXLCDLCG-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC000990845193 1074420822 /nfs/dbraw/zinc/42/08/22/1074420822.db2.gz BPOCMBBMMSQXSZ-BARDWOONSA-N 0 0 383.412 -1.095 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](n2ccnn2)C1 ZINC000990846605 1074421042 /nfs/dbraw/zinc/42/10/42/1074421042.db2.gz HQEMTMMGGNHBDA-NEBZKDRISA-N 0 0 389.416 -1.003 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC000990848242 1074420963 /nfs/dbraw/zinc/42/09/63/1074420963.db2.gz IWOXEFXAIWJQRP-AIANPOQGSA-N 0 0 392.460 -1.097 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC000990850198 1074421160 /nfs/dbraw/zinc/42/11/60/1074421160.db2.gz POJRVKRJONBAIO-XQHKEYJVSA-N 0 0 385.384 -1.318 20 0 GAADRN O=C(CN1CCOCC1)N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC000990850390 1074421078 /nfs/dbraw/zinc/42/10/78/1074421078.db2.gz UEWLDPRZWNEWBJ-KRXQYRFLSA-N 0 0 390.444 -1.485 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC000990850794 1074421017 /nfs/dbraw/zinc/42/10/17/1074421017.db2.gz ZCIWEFOQZSTYCT-RQJABVFESA-N 0 0 391.432 -2.400 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC000990857577 1074422462 /nfs/dbraw/zinc/42/24/62/1074422462.db2.gz UFFWZIQRNAVMRR-KXNHARMFSA-N 0 0 385.384 -1.318 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1 ZINC000990859333 1074422289 /nfs/dbraw/zinc/42/22/89/1074422289.db2.gz DUJJAYCICIMRBC-RQJABVFESA-N 0 0 384.400 -1.700 20 0 GAADRN CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2n2ccnn2)C1 ZINC000990859765 1074422379 /nfs/dbraw/zinc/42/23/79/1074422379.db2.gz GVLUWNSBDSKSQF-KRXQYRFLSA-N 0 0 388.428 -1.339 20 0 GAADRN Cn1nccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990859890 1074422389 /nfs/dbraw/zinc/42/23/89/1074422389.db2.gz JCUJBEHDZAMUEL-RQJABVFESA-N 0 0 386.416 -1.756 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC000990860417 1074422447 /nfs/dbraw/zinc/42/24/47/1074422447.db2.gz CRSULHRSKALFCE-XCCSTKFXSA-N 0 0 390.404 -1.608 20 0 GAADRN CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC000990860509 1074422313 /nfs/dbraw/zinc/42/23/13/1074422313.db2.gz LFIXSUIGPODVPK-RQJABVFESA-N 0 0 389.416 -2.254 20 0 GAADRN Cn1oc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cc1=O ZINC000990860569 1074422277 /nfs/dbraw/zinc/42/22/77/1074422277.db2.gz MMCFURPTPWADJL-YTWAJWBKSA-N 0 0 389.372 -2.127 20 0 GAADRN CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990861076 1074422321 /nfs/dbraw/zinc/42/23/21/1074422321.db2.gz PJDDOTXLTCJISL-XQHKEYJVSA-N 0 0 386.416 -1.202 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990861710 1074422425 /nfs/dbraw/zinc/42/24/25/1074422425.db2.gz FDUUHRAWCOENTA-YIYPIFLZSA-N 0 0 388.432 -1.098 20 0 GAADRN CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990861987 1074422942 /nfs/dbraw/zinc/42/29/42/1074422942.db2.gz DNQBCMLNFRCXHA-CZXHOFHRSA-N 0 0 386.416 -1.202 20 0 GAADRN Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC000990862253 1074422740 /nfs/dbraw/zinc/42/27/40/1074422740.db2.gz QJYZOBALXANGNW-XQHKEYJVSA-N 0 0 384.400 -1.320 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1 ZINC000990863247 1074422767 /nfs/dbraw/zinc/42/27/67/1074422767.db2.gz OJEJBCMRHPSFMV-XQHKEYJVSA-N 0 0 392.416 -1.579 20 0 GAADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cnn1 ZINC000990863265 1074422897 /nfs/dbraw/zinc/42/28/97/1074422897.db2.gz ONQSRSXQDDPRRK-RQJABVFESA-N 0 0 384.400 -1.320 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC000990863684 1074422862 /nfs/dbraw/zinc/42/28/62/1074422862.db2.gz GTHHFRRPERXBTA-RNJOBUHISA-N 0 0 375.389 -1.013 20 0 GAADRN Cn1oc(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2n2ccnn2)cc1=O ZINC000990864290 1074422968 /nfs/dbraw/zinc/42/29/68/1074422968.db2.gz VUNJAGNBDJOIQD-JJHQXXDFSA-N 0 0 388.384 -1.212 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC000990865007 1074422808 /nfs/dbraw/zinc/42/28/08/1074422808.db2.gz KLBREOAIYNSPNW-XCCSTKFXSA-N 0 0 390.404 -1.608 20 0 GAADRN Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)o1 ZINC000990865028 1074422876 /nfs/dbraw/zinc/42/28/76/1074422876.db2.gz LJEBFVGMFNCCAP-KXNHARMFSA-N 0 0 388.388 -1.798 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](n2ccnn2)C1 ZINC000990865132 1074422793 /nfs/dbraw/zinc/42/27/93/1074422793.db2.gz FRUDZSJCCOFXPM-YTWAJWBKSA-N 0 0 389.376 -2.735 20 0 GAADRN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CN3CN=NC3=O)[C@@H](n3ccnn3)C2)O1 ZINC000990865350 1074422930 /nfs/dbraw/zinc/42/29/30/1074422930.db2.gz HZMKPHYNTDWXAG-FVCCEPFGSA-N 0 0 390.404 -1.289 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990865993 1074422670 /nfs/dbraw/zinc/42/26/70/1074422670.db2.gz HTCXTBPNVRKYLI-NOOOWODRSA-N 0 0 388.388 -1.784 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1N ZINC000990865997 1074422887 /nfs/dbraw/zinc/42/28/87/1074422887.db2.gz LXYFDHHCXONQCU-DMWPJOQESA-N 0 0 387.404 -2.103 20 0 GAADRN Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2n2ccnn2)[nH]1 ZINC000990866424 1074422914 /nfs/dbraw/zinc/42/29/14/1074422914.db2.gz DFVCYBMMTYXCET-LKQDWFRTSA-N 0 0 386.416 -1.148 20 0 GAADRN O=C(CN1CN=NC1=O)N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC000990866469 1074423467 /nfs/dbraw/zinc/42/34/67/1074423467.db2.gz PMKMKLXOBDYCKI-BUWBCJGYSA-N 0 0 388.388 -1.820 20 0 GAADRN CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990866482 1074423417 /nfs/dbraw/zinc/42/34/17/1074423417.db2.gz UYCUZBOIQQYDIK-XZUYRWCXSA-N 0 0 387.404 -1.807 20 0 GAADRN COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)on1 ZINC000990866641 1074422681 /nfs/dbraw/zinc/42/26/81/1074422681.db2.gz RLPKHEYBSLXYAU-YTWAJWBKSA-N 0 0 389.372 -1.422 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](n2ccnn2)C1 ZINC000990866668 1074422701 /nfs/dbraw/zinc/42/27/01/1074422701.db2.gz RUHYBRSBFOAGHT-NMKXLXIOSA-N 0 0 390.404 -1.432 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC000990866672 1074422957 /nfs/dbraw/zinc/42/29/57/1074422957.db2.gz XFBUZCIGMJPMNG-RNJOBUHISA-N 0 0 390.404 -1.608 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC000990867190 1074422950 /nfs/dbraw/zinc/42/29/50/1074422950.db2.gz XXNYIQKCORAQOQ-DNIRFERGSA-N 0 0 387.404 -1.807 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC000990867512 1074423444 /nfs/dbraw/zinc/42/34/44/1074423444.db2.gz IUTOKQSWMQKOAI-XQHKEYJVSA-N 0 0 386.416 -1.093 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]2n2ccnn2)c1N ZINC000990867556 1074423492 /nfs/dbraw/zinc/42/34/92/1074423492.db2.gz YUVSZTZOIJLQNC-IMODNSLOSA-N 0 0 386.416 -1.188 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC000990867612 1074423516 /nfs/dbraw/zinc/42/35/16/1074423516.db2.gz KNHCSDJBELJVNV-RQJABVFESA-N 0 0 386.416 -1.756 20 0 GAADRN Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990868268 1074423450 /nfs/dbraw/zinc/42/34/50/1074423450.db2.gz PVTLSUGJJZLZQD-XQHKEYJVSA-N 0 0 386.416 -1.377 20 0 GAADRN Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)nn1 ZINC000990868667 1074423395 /nfs/dbraw/zinc/42/33/95/1074423395.db2.gz TVFJUZXHJORDFW-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN 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GDMIALMAXFVYKW-MROQNXINSA-N 0 0 376.417 -1.021 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC000990961700 1074434968 /nfs/dbraw/zinc/43/49/68/1074434968.db2.gz HSOYNJOUHPVNON-BARDWOONSA-N 0 0 383.412 -1.095 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC000990961710 1074434882 /nfs/dbraw/zinc/43/48/82/1074434882.db2.gz IHVGOPHDRWBCOB-DMWPJOQESA-N 0 0 386.372 -1.923 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2n2ccnn2)O1 ZINC000990961740 1074434981 /nfs/dbraw/zinc/43/49/81/1074434981.db2.gz IZBPIOPXRURNJJ-NOOOWODRSA-N 0 0 388.388 -1.784 20 0 GAADRN Cc1cnn(C)c1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990961757 1074434955 /nfs/dbraw/zinc/43/49/55/1074434955.db2.gz JFULDUOYKFPQIE-XQHKEYJVSA-N 0 0 386.416 -1.377 20 0 GAADRN CCn1nccc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990961944 1074435025 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/nfs/dbraw/zinc/43/50/20/1074435020.db2.gz MAFBTIJKPMCFKN-RQJABVFESA-N 0 0 386.416 -1.446 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC000990962049 1074435014 /nfs/dbraw/zinc/43/50/14/1074435014.db2.gz MAQSOOFFFPMLIO-XQHKEYJVSA-N 0 0 389.416 -2.110 20 0 GAADRN CSCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC000990962050 1074434906 /nfs/dbraw/zinc/43/49/06/1074434906.db2.gz MBPAONLBOOEWRE-NOOOWODRSA-N 0 0 382.446 -1.458 20 0 GAADRN Cc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)nnn1C ZINC000990962062 1074435008 /nfs/dbraw/zinc/43/50/08/1074435008.db2.gz MCUATPDFVSDNKH-KXNHARMFSA-N 0 0 387.404 -1.982 20 0 GAADRN Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)nn1C ZINC000990962070 1074434986 /nfs/dbraw/zinc/43/49/86/1074434986.db2.gz MGAJMZWZWLNUFA-WVWOOGAGSA-N 0 0 386.416 -1.377 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1n1ccnn1 ZINC000990962072 1074435002 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1074435360 /nfs/dbraw/zinc/43/53/60/1074435360.db2.gz CBMDRUSUJCWKAY-PBOSXPJTSA-N 0 0 387.400 -1.032 20 0 GAADRN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC000990962303 1074435386 /nfs/dbraw/zinc/43/53/86/1074435386.db2.gz OLXDUOZCOOTOET-WVWOOGAGSA-N 0 0 386.416 -1.133 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC000990962317 1074435450 /nfs/dbraw/zinc/43/54/50/1074435450.db2.gz PDZRQGJBHUTYGU-DGAVXFQQSA-N 0 0 386.416 -1.093 20 0 GAADRN Cn1cc(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC000990962333 1074435472 /nfs/dbraw/zinc/43/54/72/1074435472.db2.gz PUKRAVHQDNQJCE-RQJABVFESA-N 0 0 386.416 -1.756 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC000990962338 1074435445 /nfs/dbraw/zinc/43/54/45/1074435445.db2.gz PYJPZYNTTIBGKW-MKHNBGRSSA-N 0 0 376.402 -1.567 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2n2ccnn2)O1 ZINC000990962368 1074435455 /nfs/dbraw/zinc/43/54/55/1074435455.db2.gz QLNOVPIWWDEFKK-MROQNXINSA-N 0 0 388.388 -1.784 20 0 GAADRN NC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC000990962391 1074435396 /nfs/dbraw/zinc/43/53/96/1074435396.db2.gz QQZAVVMZYUVDGY-KXNHARMFSA-N 0 0 377.405 -2.077 20 0 GAADRN CC(C)(C)C(=O)C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990962488 1074435354 /nfs/dbraw/zinc/43/53/54/1074435354.db2.gz RSEVCHQXWSJJDC-KXNHARMFSA-N 0 0 376.417 -1.117 20 0 GAADRN CC(F)(F)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC000990962513 1074435441 /nfs/dbraw/zinc/43/54/41/1074435441.db2.gz SFGJRLRNRMKJPU-VPOLOUISSA-N 0 0 386.359 -1.166 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC000990962521 1074435378 /nfs/dbraw/zinc/43/53/78/1074435378.db2.gz SICMREZHKXWVRD-RQJABVFESA-N 0 0 391.432 -2.400 20 0 GAADRN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC000990962726 1074435341 /nfs/dbraw/zinc/43/53/41/1074435341.db2.gz GTEDCDCFZNAZCD-BYNQJWBRSA-N 0 0 386.416 -1.441 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2n2ccnn2)O1 ZINC000990962740 1074435410 /nfs/dbraw/zinc/43/54/10/1074435410.db2.gz SNRVCGCUXUQEDL-LPTSXCQYSA-N 0 0 389.372 -1.519 20 0 GAADRN Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)[nH]n1 ZINC000990962751 1074435466 /nfs/dbraw/zinc/43/54/66/1074435466.db2.gz SPAFJYWQIHRDNU-RQJABVFESA-N 0 0 386.416 -1.458 20 0 GAADRN COc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)on1 ZINC000990962837 1074436066 /nfs/dbraw/zinc/43/60/66/1074436066.db2.gz UIEOEESKDRCZML-YTWAJWBKSA-N 0 0 389.372 -1.422 20 0 GAADRN Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)ncn1 ZINC000990962838 1074436079 /nfs/dbraw/zinc/43/60/79/1074436079.db2.gz UKWSKJVOTILQQP-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)c1C ZINC000990962856 1074436102 /nfs/dbraw/zinc/43/61/02/1074436102.db2.gz UWFLHAUGCVSRRB-XQHKEYJVSA-N 0 0 386.416 -1.079 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2n2ccnn2)O1 ZINC000990962862 1074436081 /nfs/dbraw/zinc/43/60/81/1074436081.db2.gz VDNUHVDQFPQZKZ-ZOBORPQBSA-N 0 0 376.417 -1.021 20 0 GAADRN CCc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990962863 1074436093 /nfs/dbraw/zinc/43/60/93/1074436093.db2.gz VHBRLSIYUAZIGQ-QOBDMFJFSA-N 0 0 386.416 -1.133 20 0 GAADRN CS(=O)(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990962880 1074436042 /nfs/dbraw/zinc/43/60/42/1074436042.db2.gz WAJJEZNHKNUMOI-YTWAJWBKSA-N 0 0 384.418 -2.688 20 0 GAADRN NC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC000990962884 1074436085 /nfs/dbraw/zinc/43/60/85/1074436085.db2.gz WDYJGWUPQFZYIS-VPOLOUISSA-N 0 0 379.377 -2.946 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC000990962899 1074436073 /nfs/dbraw/zinc/43/60/73/1074436073.db2.gz WSSJNVGHNIWQBL-QCNOEVLYSA-N 0 0 377.405 -2.254 20 0 GAADRN Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)no1 ZINC000990962902 1074436014 /nfs/dbraw/zinc/43/60/14/1074436014.db2.gz WWKWRCGZMKRWNJ-RQJABVFESA-N 0 0 387.400 -1.193 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC000990963024 1074436098 /nfs/dbraw/zinc/43/60/98/1074436098.db2.gz XBXPQVLOOPTWAJ-LOKLDPHHSA-N 0 0 391.413 -1.257 20 0 GAADRN CC(C)(F)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC000990963056 1074435995 /nfs/dbraw/zinc/43/59/95/1074435995.db2.gz XMOMDPUOZYBEQO-NOOOWODRSA-N 0 0 382.396 -1.073 20 0 GAADRN Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)n1C ZINC000990963068 1074436009 /nfs/dbraw/zinc/43/60/09/1074436009.db2.gz XMQRMPKDLPMNJU-CZXHOFHRSA-N 0 0 386.416 -1.377 20 0 GAADRN Cc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990963072 1074436031 /nfs/dbraw/zinc/43/60/31/1074436031.db2.gz XQDDWJFEVYFXQD-YTWAJWBKSA-N 0 0 390.429 -1.259 20 0 GAADRN Cc1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)cn1 ZINC000990963125 1074436025 /nfs/dbraw/zinc/43/60/25/1074436025.db2.gz YIUUCIKLHQWWKS-WVWOOGAGSA-N 0 0 384.400 -1.320 20 0 GAADRN Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)n(C)n1 ZINC000990963129 1074436106 /nfs/dbraw/zinc/43/61/06/1074436106.db2.gz YKGWMLYVHMABMZ-CZXHOFHRSA-N 0 0 386.416 -1.377 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 ZINC000990963131 1074436002 /nfs/dbraw/zinc/43/60/02/1074436002.db2.gz YKTSPELWYLRZFH-RQJABVFESA-N 0 0 385.384 -1.785 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 ZINC000990963134 1074436049 /nfs/dbraw/zinc/43/60/49/1074436049.db2.gz YLZLMOWXKMSIEG-XQHKEYJVSA-N 0 0 392.416 -1.579 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2n2ccnn2)O1 ZINC000990963166 1074431805 /nfs/dbraw/zinc/43/18/05/1074431805.db2.gz YWWSNUZUYRQCCO-NOOOWODRSA-N 0 0 389.376 -2.389 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2n2ccnn2)O1 ZINC000990963169 1074431822 /nfs/dbraw/zinc/43/18/22/1074431822.db2.gz ZBJYEFWLKDBSSM-ZOBORPQBSA-N 0 0 376.417 -1.021 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1 ZINC000990963182 1074432359 /nfs/dbraw/zinc/43/23/59/1074432359.db2.gz ZIIMAKQUTYYFTB-KXNHARMFSA-N 0 0 385.384 -1.318 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC000990963192 1074432376 /nfs/dbraw/zinc/43/23/76/1074432376.db2.gz ZKGNLTBHOXISHJ-QCNOEVLYSA-N 0 0 387.404 -1.698 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC000990963194 1074432396 /nfs/dbraw/zinc/43/23/96/1074432396.db2.gz OEAVUULYZURUNR-WYUUTHIRSA-N 0 0 375.393 -1.592 20 0 GAADRN Cc1c(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)cnn1C ZINC000990963195 1074432264 /nfs/dbraw/zinc/43/22/64/1074432264.db2.gz ZNQXMNAQDQIDEI-WVWOOGAGSA-N 0 0 386.416 -1.377 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC000990963212 1074432413 /nfs/dbraw/zinc/43/24/13/1074432413.db2.gz ZUCGMZRYUFNCBO-YGNMPJRFSA-N 0 0 388.388 -1.433 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2n2ccnn2)O1 ZINC000990963219 1074432309 /nfs/dbraw/zinc/43/23/09/1074432309.db2.gz ZZASXMGCZZCDNJ-NOOOWODRSA-N 0 0 389.372 -1.519 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 ZINC000990963244 1074432253 /nfs/dbraw/zinc/43/22/53/1074432253.db2.gz PEWAHWVHKPUXBT-NDBYEHHHSA-N 0 0 376.417 -1.163 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC000990963502 1074432423 /nfs/dbraw/zinc/43/24/23/1074432423.db2.gz DIPIHSLRWJTFND-XFMPKHEZSA-N 0 0 390.404 -1.758 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC000990963588 1074432405 /nfs/dbraw/zinc/43/24/05/1074432405.db2.gz QMWHPDAUTJTWSA-CXTNEJHOSA-N 0 0 389.420 -1.352 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC000990963599 1074432233 /nfs/dbraw/zinc/43/22/33/1074432233.db2.gz QRWUUBYGFVNKBA-NMKXLXIOSA-N 0 0 375.393 -1.742 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC000990963766 1074432343 /nfs/dbraw/zinc/43/23/43/1074432343.db2.gz DYRBBESNTAGCBL-OXIQGZBJSA-N 0 0 390.404 -1.689 20 0 GAADRN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC000990963940 1074432389 /nfs/dbraw/zinc/43/23/89/1074432389.db2.gz GONYPGUTVGKQDM-LPWJVIDDSA-N 0 0 389.416 -1.256 20 0 GAADRN O=C(Cn1cncn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC000990964046 1074432294 /nfs/dbraw/zinc/43/22/94/1074432294.db2.gz IEZHJCWIQGLBKQ-MFAUZPSPSA-N 0 0 398.427 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CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)NC1=O ZINC001004945389 1074846874 /nfs/dbraw/zinc/84/68/74/1074846874.db2.gz NQYQZBUZOOCGMI-KBXIAJHMSA-N 0 0 379.461 -1.020 20 0 GAADRN CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)NC1=O ZINC001004945391 1074846860 /nfs/dbraw/zinc/84/68/60/1074846860.db2.gz NQYQZBUZOOCGMI-TUVASFSCSA-N 0 0 379.461 -1.020 20 0 GAADRN CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)NC1=O ZINC001004946235 1074846914 /nfs/dbraw/zinc/84/69/14/1074846914.db2.gz URTDEJWKUMJAQW-DBIOUOCHSA-N 0 0 378.389 -2.190 20 0 GAADRN CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)NC1=O ZINC001004946236 1074846846 /nfs/dbraw/zinc/84/68/46/1074846846.db2.gz URTDEJWKUMJAQW-ZNSHCXBVSA-N 0 0 378.389 -2.190 20 0 GAADRN Cn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C3)n(C)c1=O ZINC001004946530 1074846842 /nfs/dbraw/zinc/84/68/42/1074846842.db2.gz UZGNYXLCWPLTIF-KKOKHZNYSA-N 0 0 376.417 -1.391 20 0 GAADRN Cn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C3)n(C)c1=O ZINC001004946532 1074846865 /nfs/dbraw/zinc/84/68/65/1074846865.db2.gz UZGNYXLCWPLTIF-WYUUTHIRSA-N 0 0 376.417 -1.391 20 0 GAADRN Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)c[nH]c1=O ZINC001004948995 1074846889 /nfs/dbraw/zinc/84/68/89/1074846889.db2.gz IRZNOUAUUUKWCY-IMSYWVGJSA-N 0 0 376.373 -1.415 20 0 GAADRN Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)c[nH]c1=O ZINC001004949589 1074846870 /nfs/dbraw/zinc/84/68/70/1074846870.db2.gz KXIKQISBWYEKTC-BBBLOLIVSA-N 0 0 376.373 -1.461 20 0 GAADRN Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)c[nH]c1=O ZINC001004950302 1074846883 /nfs/dbraw/zinc/84/68/83/1074846883.db2.gz PFJPIMIRVCFJLI-IMSYWVGJSA-N 0 0 376.373 -1.415 20 0 GAADRN Cn1cnn(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(=O)n2C)C3)c1=O ZINC001004950368 1074846899 /nfs/dbraw/zinc/84/68/99/1074846899.db2.gz PWMBXZBXRKMVJR-MXWKQRLJSA-N 0 0 375.389 -1.417 20 0 GAADRN Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)c[nH]c1=O ZINC001004951667 1074846905 /nfs/dbraw/zinc/84/69/05/1074846905.db2.gz WNMJACNDCSRTAL-UTUOFQBUSA-N 0 0 376.417 -1.581 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCN2C)ncc1=O ZINC001004985775 1074847222 /nfs/dbraw/zinc/84/72/22/1074847222.db2.gz BVNVAAXGBGHPAZ-RJZRQDKASA-N 0 0 375.429 -1.027 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2COCCN2C)ncc1=O ZINC001004985777 1074847122 /nfs/dbraw/zinc/84/71/22/1074847122.db2.gz BVNVAAXGBGHPAZ-UXOAXIEHSA-N 0 0 375.429 -1.027 20 0 GAADRN CN1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)c(=O)cn2)C3)C1 ZINC001004985974 1074847588 /nfs/dbraw/zinc/84/75/88/1074847588.db2.gz GLLPXGVGGTWAIG-RJZRQDKASA-N 0 0 375.429 -1.027 20 0 GAADRN CN1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)c(=O)cn2)C3)C1 ZINC001004985977 1074847500 /nfs/dbraw/zinc/84/75/00/1074847500.db2.gz GLLPXGVGGTWAIG-UXOAXIEHSA-N 0 0 375.429 -1.027 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2)ncc1=O ZINC001004986524 1074847497 /nfs/dbraw/zinc/84/74/97/1074847497.db2.gz KUQUSBLTLCDGMX-NFAWXSAZSA-N 0 0 375.429 -1.026 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)ncc1=O ZINC001004990773 1074847552 /nfs/dbraw/zinc/84/75/52/1074847552.db2.gz NLWUVLFVLAXLEY-SJVBDLOYSA-N 0 0 389.412 -1.325 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CS(=O)(=O)C2)ncc1=O ZINC001004991562 1074847578 /nfs/dbraw/zinc/84/75/78/1074847578.db2.gz SJNHETZSDIFBBR-WZRBSPASSA-N 0 0 380.426 -1.313 20 0 GAADRN NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2 ZINC001005039087 1074848256 /nfs/dbraw/zinc/84/82/56/1074848256.db2.gz IYRBJHCQCXOSDS-ZSAUSMIDSA-N 0 0 380.445 -1.400 20 0 GAADRN NC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2 ZINC001005041750 1074848267 /nfs/dbraw/zinc/84/82/67/1074848267.db2.gz UWYWKRUGVZEZLT-SUJAAXHWSA-N 0 0 394.472 -1.010 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005045683 1074848248 /nfs/dbraw/zinc/84/82/48/1074848248.db2.gz CPBKINUZKZWEJL-NDBYEHHHSA-N 0 0 380.426 -1.210 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005046150 1074848438 /nfs/dbraw/zinc/84/84/38/1074848438.db2.gz GLKPRZCCSVDWHG-YJQGPUDQSA-N 0 0 382.398 -1.551 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005046934 1074848562 /nfs/dbraw/zinc/84/85/62/1074848562.db2.gz NHTQTEAHDCLOBM-LSKIRQOJSA-N 0 0 382.398 -1.551 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005047518 1074848502 /nfs/dbraw/zinc/84/85/02/1074848502.db2.gz PVDBKUYUGFWQDZ-ZNSHCXBVSA-N 0 0 382.398 -1.551 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]n1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005048088 1074848470 /nfs/dbraw/zinc/84/84/70/1074848470.db2.gz WVFJOGRPEOARNK-HZQMYPQZSA-N 0 0 382.402 -2.420 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005048134 1074848546 /nfs/dbraw/zinc/84/85/46/1074848546.db2.gz XTLRKBREWYIBKX-ZNSHCXBVSA-N 0 0 381.414 -1.815 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc[nH]n1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005048270 1074848520 /nfs/dbraw/zinc/84/85/20/1074848520.db2.gz ZXFVJLKXWBEFIG-IMSYWVGJSA-N 0 0 382.402 -2.420 20 0 GAADRN O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005048980 1074848449 /nfs/dbraw/zinc/84/84/49/1074848449.db2.gz GSSPZXKPYBEGRT-OSKMXNKJSA-N 0 0 376.417 -1.027 20 0 GAADRN O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005049099 1074848495 /nfs/dbraw/zinc/84/84/95/1074848495.db2.gz IWDMWULVRQKZRI-OSKMXNKJSA-N 0 0 376.417 -1.027 20 0 GAADRN CSCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001005052349 637381766 /nfs/dbraw/zinc/38/17/66/637381766.db2.gz JGLKFOJKVXXZDK-ZNSHCXBVSA-N 0 0 375.472 -1.489 20 0 GAADRN CC(C)(F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001005052532 637381758 /nfs/dbraw/zinc/38/17/58/637381758.db2.gz KKPUIGUYYKRQPA-ZNSHCXBVSA-N 0 0 375.422 -1.104 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]n1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005052570 1074848905 /nfs/dbraw/zinc/84/89/05/1074848905.db2.gz LZJMNOOCKXQFND-YJQGPUDQSA-N 0 0 381.414 -1.815 20 0 GAADRN CC(F)(F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001005052971 637381747 /nfs/dbraw/zinc/38/17/47/637381747.db2.gz PEZKUASWTHUUKM-IMSYWVGJSA-N 0 0 379.385 -1.197 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc[nH]1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005053056 1074848826 /nfs/dbraw/zinc/84/88/26/1074848826.db2.gz SYELUSRGMULDNS-XEZLXBQYSA-N 0 0 380.426 -1.210 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001005053529 1074849249 /nfs/dbraw/zinc/84/92/49/1074849249.db2.gz ZUHOACDVFXAMRB-WYUUTHIRSA-N 0 0 381.414 -1.815 20 0 GAADRN Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnnn2)c(=O)n1C ZINC001005092573 1074854364 /nfs/dbraw/zinc/85/43/64/1074854364.db2.gz DBWKDPWCDOSFMK-UTUOFQBUSA-N 0 0 375.393 -2.175 20 0 GAADRN Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnn(C)n2)c(=O)n1C ZINC001005094479 1074855026 /nfs/dbraw/zinc/85/50/26/1074855026.db2.gz CTEKXVVDPPZLED-MXWKQRLJSA-N 0 0 375.393 -2.024 20 0 GAADRN Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)C(N)=O)c(=O)n1C ZINC001005094550 1074854968 /nfs/dbraw/zinc/85/49/68/1074854968.db2.gz DZAQBAKMADYSBY-UTUOFQBUSA-N 0 0 378.433 -1.350 20 0 GAADRN Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2COCCO2)c(=O)n1C ZINC001005094921 1074854668 /nfs/dbraw/zinc/85/46/68/1074854668.db2.gz ZPNYMFIKYXGAEX-MQYQWHSLSA-N 0 0 379.417 -1.446 20 0 GAADRN Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCO2)c(=O)n1C ZINC001005094926 1074854720 /nfs/dbraw/zinc/85/47/20/1074854720.db2.gz ZPNYMFIKYXGAEX-YIYPIFLZSA-N 0 0 379.417 -1.446 20 0 GAADRN 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GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1O)c1ccc2nnnn2c1 ZINC001024629469 1073741900 /nfs/dbraw/zinc/74/19/00/1073741900.db2.gz QGYHZSXWLMHSOK-HBJVGIJOSA-N 0 0 382.384 -1.047 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nnnn4c3)C2)O1 ZINC001024629706 1073741712 /nfs/dbraw/zinc/74/17/12/1073741712.db2.gz UJEIJUSFXZHYNT-FMKGYKFTSA-N 0 0 389.416 -1.855 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC001024632667 1073742397 /nfs/dbraw/zinc/74/23/97/1073742397.db2.gz DATJEECLMAJQOW-LXTVHRRPSA-N 0 0 377.445 -1.317 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001024632904 1073742530 /nfs/dbraw/zinc/74/25/30/1073742530.db2.gz HTTZLZABRNEVTR-YVECIDJPSA-N 0 0 387.400 -1.850 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nnnn4c3)C2)O1 ZINC001024632968 1073742324 /nfs/dbraw/zinc/74/23/24/1073742324.db2.gz KGPHDVXDLOHRRP-WISYIIOYSA-N 0 0 389.372 -2.541 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nnnn4c3)C2)C1 ZINC001024633230 1073742492 /nfs/dbraw/zinc/74/24/92/1073742492.db2.gz NQTSSBJNFGSJTG-LYIQGSDWSA-N 0 0 387.400 -1.673 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)n(C)n1 ZINC001024633445 1073742538 /nfs/dbraw/zinc/74/25/38/1073742538.db2.gz QAOQRNWRQOPXJE-JUDXGUMMSA-N 0 0 377.445 -1.126 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)n(C)n1 ZINC001024633452 1073742353 /nfs/dbraw/zinc/74/23/53/1073742353.db2.gz QEDSEIKXEMOJHD-AYRXBEOTSA-N 0 0 377.445 -1.139 20 0 GAADRN Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)n(C)n1 ZINC001024633469 1073742374 /nfs/dbraw/zinc/74/23/74/1073742374.db2.gz QONJLCRIUNYCAZ-YIYPIFLZSA-N 0 0 379.417 -2.008 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nnnn4c3)C2)C1 ZINC001024633641 1073742337 /nfs/dbraw/zinc/74/23/37/1073742337.db2.gz UCQOGKFXVJVVNF-OJAKKHQRSA-N 0 0 387.400 -1.660 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3onc4c3CCCC4)C2)O1 ZINC001024638097 1073743162 /nfs/dbraw/zinc/74/31/62/1073743162.db2.gz ROEHATLBQLGRLD-YIYPIFLZSA-N 0 0 392.412 -1.112 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc4ccccn43)C2)O1 ZINC001024640178 1073742901 /nfs/dbraw/zinc/74/29/01/1073742901.db2.gz XVHQLUGNINFWSI-YIYPIFLZSA-N 0 0 387.396 -1.331 20 0 GAADRN COc1ccn2c(c1)ncc2C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1O ZINC001024640958 1073743127 /nfs/dbraw/zinc/74/31/27/1073743127.db2.gz DDQGZSMOGUQUFH-GFQSEFKGSA-N 0 0 387.396 -1.234 20 0 GAADRN Cn1c(Cl)ncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O ZINC001024641418 1073743065 /nfs/dbraw/zinc/74/30/65/1073743065.db2.gz MVAFMLPSCVRRQT-CZULRBLNSA-N 0 0 385.808 -1.592 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4nccn4c3)C2)C1 ZINC001024642693 1073743097 /nfs/dbraw/zinc/74/30/97/1073743097.db2.gz HPCCXOIHAOIGMV-FMKGYKFTSA-N 0 0 386.412 -1.055 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001024642937 1073742983 /nfs/dbraw/zinc/74/29/83/1073742983.db2.gz PBZUCVCMVIPRJB-ASEORRQLSA-N 0 0 375.385 -1.165 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4nccn4c3)C2)O1 ZINC001024642950 1073743136 /nfs/dbraw/zinc/74/31/36/1073743136.db2.gz PWDHFJLLGDGOKJ-FVCCEPFGSA-N 0 0 388.384 -1.936 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001024643071 1073742869 /nfs/dbraw/zinc/74/28/69/1073742869.db2.gz VGERDSGVJZONDB-XJFOESAGSA-N 0 0 386.412 -1.245 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4nccn4c3)C2)C1 ZINC001024643120 1073742996 /nfs/dbraw/zinc/74/29/96/1073742996.db2.gz XDXHXKJBVKLMDY-ZMJPVWNMSA-N 0 0 386.412 -1.068 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4nccn4c3)C2)O1 ZINC001024643133 1073743011 /nfs/dbraw/zinc/74/30/11/1073743011.db2.gz XRZCRRPXZLUBQO-NMFUWQPSSA-N 0 0 388.428 -1.250 20 0 GAADRN COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)cc1=O ZINC001024643961 1073743122 /nfs/dbraw/zinc/74/31/22/1073743122.db2.gz NGUZQJKHFBVZEG-LSCVPOLPSA-N 0 0 393.396 -1.149 20 0 GAADRN COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)cc1=O ZINC001024643963 1073743040 /nfs/dbraw/zinc/74/30/40/1073743040.db2.gz NSDYEURGYJAPBZ-XIDUGBJDSA-N 0 0 392.412 -1.400 20 0 GAADRN COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)cc1=O ZINC001024644119 1073742964 /nfs/dbraw/zinc/74/29/64/1073742964.db2.gz PZPYOASYBJFVNZ-LSCVPOLPSA-N 0 0 393.396 -1.326 20 0 GAADRN COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)cc1=O ZINC001024644659 1073743732 /nfs/dbraw/zinc/74/37/32/1073743732.db2.gz YTOJGZIMFNGVFL-XKFJNSEWSA-N 0 0 381.385 -1.511 20 0 GAADRN COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)cc1=O ZINC001024646771 1073743565 /nfs/dbraw/zinc/74/35/65/1073743565.db2.gz PIXKTCNYPAZXPA-PRULPYPASA-N 0 0 393.396 -1.135 20 0 GAADRN COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)cc1=O ZINC001024646786 1073743591 /nfs/dbraw/zinc/74/35/91/1073743591.db2.gz PSZJMOQOACOTBD-MAWWSGROSA-N 0 0 382.369 -1.246 20 0 GAADRN COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)cc1=O ZINC001024649304 1073743706 /nfs/dbraw/zinc/74/37/06/1073743706.db2.gz UEEZLQRNLPUZFF-IQOUGMIPSA-N 0 0 392.412 -1.413 20 0 GAADRN COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)cc1=O ZINC001024649684 1073743637 /nfs/dbraw/zinc/74/36/37/1073743637.db2.gz ZSTLPYAOUNFFSQ-IQOUGMIPSA-N 0 0 392.412 -1.591 20 0 GAADRN CCc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)c1 ZINC001024651839 1073743743 /nfs/dbraw/zinc/74/37/43/1073743743.db2.gz QMUUXXVHRHCJFW-APIJFGDWSA-N 0 0 376.413 -1.022 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2O)n1 ZINC001024653334 1073743715 /nfs/dbraw/zinc/74/37/15/1073743715.db2.gz AUYTWUMNXJCGFL-DBIOUOCHSA-N 0 0 393.322 -1.537 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)n1 ZINC001024653640 1073744245 /nfs/dbraw/zinc/74/42/45/1073744245.db2.gz JJPVUNBYAYBIHI-JHEVNIALSA-N 0 0 380.405 -2.070 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001024654665 1073744256 /nfs/dbraw/zinc/74/42/56/1073744256.db2.gz MZPIEMPCRNZFJG-WTBMIXGQSA-N 0 0 383.426 -1.048 20 0 GAADRN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001024655343 1073743722 /nfs/dbraw/zinc/74/37/22/1073743722.db2.gz BEZPMTFVDUNUIK-HKUMRIAESA-N 0 0 389.412 -1.736 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024655832 1073743692 /nfs/dbraw/zinc/74/36/92/1073743692.db2.gz JQHDZZBDPWDXHF-TVUHYWCHSA-N 0 0 379.413 -1.314 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024656118 1073743630 /nfs/dbraw/zinc/74/36/30/1073743630.db2.gz RDDVWOLDOVVSNJ-GBJTYRQASA-N 0 0 393.440 -1.210 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024656124 1073743551 /nfs/dbraw/zinc/74/35/51/1073743551.db2.gz RKCAGEMBWLJKRA-GJXHKJHSSA-N 0 0 379.413 -1.458 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024656236 1073743727 /nfs/dbraw/zinc/74/37/27/1073743727.db2.gz RUWLTVWKVUBLQI-JXFSHQFZSA-N 0 0 379.413 -1.458 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024656416 1073743663 /nfs/dbraw/zinc/74/36/63/1073743663.db2.gz YRGGTWRBHNCQNA-ZOMCCTJLSA-N 0 0 377.397 -1.850 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024656439 1073744348 /nfs/dbraw/zinc/74/43/48/1073744348.db2.gz ZAOYVLZYCYZXKG-LVYCXYHQSA-N 0 0 395.412 -2.221 20 0 GAADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)nc(C)n1 ZINC001024657534 1073744105 /nfs/dbraw/zinc/74/41/05/1073744105.db2.gz MCFDCDCRNMHSON-YIYPIFLZSA-N 0 0 377.401 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ZINC001025695574 1073841892 /nfs/dbraw/zinc/84/18/92/1073841892.db2.gz DMWAMZULINJITI-DTHBNOIPSA-N 0 0 388.384 -1.839 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1O ZINC001025695575 1073841918 /nfs/dbraw/zinc/84/19/18/1073841918.db2.gz DQHNGSVFWPGTNX-XJFOESAGSA-N 0 0 385.384 -1.915 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1O ZINC001025695576 1073841786 /nfs/dbraw/zinc/84/17/86/1073841786.db2.gz DTFAMXIWQBSKQE-YVECIDJPSA-N 0 0 375.381 -1.119 20 0 GAADRN COc1ccc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001025695577 1073841976 /nfs/dbraw/zinc/84/19/76/1073841976.db2.gz DUHIQCUBNALZOM-LXTVHRRPSA-N 0 0 377.397 -1.117 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@H]1O ZINC001025695581 1073841989 /nfs/dbraw/zinc/84/19/89/1073841989.db2.gz FAIFBOMDNVXOBE-LSCVPOLPSA-N 0 0 388.380 -1.596 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H]1O ZINC001025695588 1073841953 /nfs/dbraw/zinc/84/19/53/1073841953.db2.gz FCQUBWIQGILILG-UTINFBMNSA-N 0 0 387.318 -1.082 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O ZINC001025695591 1073841942 /nfs/dbraw/zinc/84/19/42/1073841942.db2.gz FHBBOZMPLLMNAK-XKAARJIMSA-N 0 0 377.401 -1.699 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1O ZINC001025695599 1073841812 /nfs/dbraw/zinc/84/18/12/1073841812.db2.gz FWKQLWNUVXRKLJ-REWJHTLYSA-N 0 0 378.433 -1.840 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2O)C1 ZINC001025695620 1073842015 /nfs/dbraw/zinc/84/20/15/1073842015.db2.gz FQHMGIQQPGWNGJ-YVECIDJPSA-N 0 0 387.458 -1.989 20 0 GAADRN CN(C)Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)no1 ZINC001025695621 1073842419 /nfs/dbraw/zinc/84/24/19/1073842419.db2.gz FSZAQKXZDWYYPF-BAESOJJISA-N 0 0 393.444 -1.061 20 0 GAADRN Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1=O ZINC001025695622 1073842511 /nfs/dbraw/zinc/84/25/11/1073842511.db2.gz FTMZOZCPEXQDKJ-LYIQGSDWSA-N 0 0 377.401 -2.017 20 0 GAADRN NC(=O)c1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1 ZINC001025695626 1073842521 /nfs/dbraw/zinc/84/25/21/1073842521.db2.gz FZQYFRWSZFVJAW-RDBQEKCUSA-N 0 0 389.412 -1.616 20 0 GAADRN COc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1=O ZINC001025695628 1073842483 /nfs/dbraw/zinc/84/24/83/1073842483.db2.gz GBMKFKCGUSFQEG-UZWIWUQPSA-N 0 0 392.412 -1.591 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O ZINC001025695629 1073842456 /nfs/dbraw/zinc/84/24/56/1073842456.db2.gz GCDXFQUHODUEPR-UMSGYPCISA-N 0 0 387.400 -1.850 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC001025695631 1073842381 /nfs/dbraw/zinc/84/23/81/1073842381.db2.gz GFBHVHYPVCIXQY-REWJHTLYSA-N 0 0 376.413 -1.258 20 0 GAADRN Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c(=O)[nH]c1C ZINC001025695643 1073842568 /nfs/dbraw/zinc/84/25/68/1073842568.db2.gz GXRZZGVROXQBDH-YVECIDJPSA-N 0 0 391.428 -1.410 20 0 GAADRN CC(C)c1nnnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001025695654 1073842368 /nfs/dbraw/zinc/84/23/68/1073842368.db2.gz HMCOGAAWMLNKTF-UMSGYPCISA-N 0 0 393.448 -1.791 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)Cc3ccccc32)C[C@H]1O ZINC001025695669 1073841827 /nfs/dbraw/zinc/84/18/27/1073841827.db2.gz GPEAWWJTFIOCPR-QVHKTLOISA-N 0 0 386.408 -1.615 20 0 GAADRN Cn1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cccc1=O ZINC001025695670 1073842471 /nfs/dbraw/zinc/84/24/71/1073842471.db2.gz ICRWZKOMRJWAMV-GFQSEFKGSA-N 0 0 376.413 -1.412 20 0 GAADRN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1)S(C)(=O)=O ZINC001025695680 1073842409 /nfs/dbraw/zinc/84/24/09/1073842409.db2.gz IQNPFSLCJVPUME-WRWGMCAJSA-N 0 0 389.474 -1.601 20 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20 0 GAADRN Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n(C)n1 ZINC001025695712 1073842438 /nfs/dbraw/zinc/84/24/38/1073842438.db2.gz JGCSUTMKIMDGGI-AYRXBEOTSA-N 0 0 377.445 -1.139 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1O ZINC001025695716 1073842532 /nfs/dbraw/zinc/84/25/32/1073842532.db2.gz JPIMBDMAVBVLRL-SBFPOUOMSA-N 0 0 379.417 -2.250 20 0 GAADRN NC(=O)c1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c1 ZINC001025695722 1073842503 /nfs/dbraw/zinc/84/25/03/1073842503.db2.gz JROACPNVZSVLGR-RBLKWDMZSA-N 0 0 378.385 -1.418 20 0 GAADRN Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001025695729 1073842960 /nfs/dbraw/zinc/84/29/60/1073842960.db2.gz IBSGBYMLMVIHHL-IRCOFANPSA-N 0 0 377.401 -1.484 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001025695733 1073842541 /nfs/dbraw/zinc/84/25/41/1073842541.db2.gz JVILPTFDXZTZRF-IRCOFANPSA-N 0 0 393.448 -1.546 20 0 GAADRN NC(=O)NCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001025695746 1073843168 /nfs/dbraw/zinc/84/31/68/1073843168.db2.gz IXIPCYUGRARHRA-XJFOESAGSA-N 0 0 389.412 -1.722 20 0 GAADRN Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cn1C ZINC001025695748 1073843099 /nfs/dbraw/zinc/84/30/99/1073843099.db2.gz KPUBKUJNRLYXPR-FAXLKDOZSA-N 0 0 390.440 -1.103 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1O ZINC001025695759 1073842903 /nfs/dbraw/zinc/84/29/03/1073842903.db2.gz JJXMKFZJCKFVEU-UTINFBMNSA-N 0 0 389.334 -1.289 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1O ZINC001025695760 1073842989 /nfs/dbraw/zinc/84/29/89/1073842989.db2.gz JKFBKMDILCJGJR-FMVNMVDZSA-N 0 0 386.412 -1.245 20 0 GAADRN Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ncc1C(N)=O ZINC001025695763 1073843016 /nfs/dbraw/zinc/84/30/16/1073843016.db2.gz JLURDFKLLNAJJG-OTMMVIPVSA-N 0 0 375.385 -2.088 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1O ZINC001025695827 1073843051 /nfs/dbraw/zinc/84/30/51/1073843051.db2.gz MJEOTIHJWVYRLK-GBJTYRQASA-N 0 0 388.424 -1.189 20 0 GAADRN NC(=O)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001025695832 1073842890 /nfs/dbraw/zinc/84/28/90/1073842890.db2.gz KYHWQCUAFBQDSA-LYIQGSDWSA-N 0 0 389.412 -1.616 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1O ZINC001025695838 1073843153 /nfs/dbraw/zinc/84/31/53/1073843153.db2.gz MSWXIXGABJSGGM-UMSGYPCISA-N 0 0 381.433 -3.170 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2-n2ccnn2)C[C@H]1O ZINC001025695849 1073842947 /nfs/dbraw/zinc/84/29/47/1073842947.db2.gz MYXINMZPUDTUTJ-DTHBNOIPSA-N 0 0 390.425 -1.248 20 0 GAADRN CCc1c[nH]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)n1 ZINC001025695856 1073843126 /nfs/dbraw/zinc/84/31/26/1073843126.db2.gz NGYJOJVVQIHCOW-REWJHTLYSA-N 0 0 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NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c[nH]1 ZINC001025696134 1073844360 /nfs/dbraw/zinc/84/43/60/1073844360.db2.gz QNXXKRTYFYGCOS-OTMMVIPVSA-N 0 0 377.401 -1.683 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)COC3CCOCC3)C[C@H]2O)C1 ZINC001025696135 1073844342 /nfs/dbraw/zinc/84/43/42/1073844342.db2.gz QQZDXCXUWVUYMG-AYRXBEOTSA-N 0 0 383.445 -1.229 20 0 GAADRN Cc1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)c1 ZINC001025696139 1073844151 /nfs/dbraw/zinc/84/41/51/1073844151.db2.gz QYIDXOYDHSEKGF-GBJTYRQASA-N 0 0 377.445 -1.006 20 0 GAADRN Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cnn1C ZINC001025696146 1073844182 /nfs/dbraw/zinc/84/41/82/1073844182.db2.gz RBZQELJHYLEMIC-AYRXBEOTSA-N 0 0 377.445 -1.139 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1O ZINC001025696155 1073844133 /nfs/dbraw/zinc/84/41/33/1073844133.db2.gz RJIZSFSWWXYPLH-GZZJDILISA-N 0 0 386.412 -1.016 20 0 GAADRN 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/nfs/dbraw/zinc/51/72/29/1073517229.db2.gz QATUNZDLUVTDKN-UVPYHEFZSA-N 0 0 386.445 -1.221 20 0 GAADRN CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nn1 ZINC001058354619 1073517326 /nfs/dbraw/zinc/51/73/26/1073517326.db2.gz RRIADPYCZOHGGT-KCQAQPDRSA-N 0 0 381.433 -1.100 20 0 GAADRN O=C(CCn1cnnn1)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001058354691 1073517313 /nfs/dbraw/zinc/51/73/13/1073517313.db2.gz UTUFIZBVJIIEFY-KCQAQPDRSA-N 0 0 382.421 -1.948 20 0 GAADRN Cc1nonc1CC(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001058354695 1073517247 /nfs/dbraw/zinc/51/72/47/1073517247.db2.gz UYUWSLOUWSINAG-HEHGZKQESA-N 0 0 382.417 -1.091 20 0 GAADRN O=C(NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1cnc[nH]c1=O ZINC001058354709 1073517149 /nfs/dbraw/zinc/51/71/49/1073517149.db2.gz VXKDQAUQCIYHGD-SGMGOOAPSA-N 0 0 380.401 -1.216 20 0 GAADRN Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[nH]c1=O ZINC001058354760 1073517373 /nfs/dbraw/zinc/51/73/73/1073517373.db2.gz ZDFKSXDHCGNRTL-SGMGOOAPSA-N 0 0 382.417 -1.272 20 0 GAADRN CN(C)S(=O)(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058363361 1073517771 /nfs/dbraw/zinc/51/77/71/1073517771.db2.gz AVVXQOGNZMRJQU-JYKNGBAOSA-N 0 0 389.474 -1.762 20 0 GAADRN CN(C)S(=O)(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058363865 677394605 /nfs/dbraw/zinc/39/46/05/677394605.db2.gz RVPKWWLONMBXDY-UPJWGTAASA-N 0 0 377.463 -1.618 20 0 GAADRN CC(=O)N1CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001058365299 1073517858 /nfs/dbraw/zinc/51/78/58/1073517858.db2.gz PNEVKPWASPEXAT-DZTUFKMZSA-N 0 0 395.456 -1.406 20 0 GAADRN CC(=O)N1CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001058365300 1073517800 /nfs/dbraw/zinc/51/78/00/1073517800.db2.gz PNEVKPWASPEXAT-VRXFMZDNSA-N 0 0 395.456 -1.406 20 0 GAADRN Cc1nn(CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)n1C ZINC001058366632 1073517998 /nfs/dbraw/zinc/51/79/98/1073517998.db2.gz LWLYEFKPZRNHPY-MCIONIFRSA-N 0 0 381.433 -1.605 20 0 GAADRN Cc1nn(CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)n1C ZINC001058366953 1073517873 /nfs/dbraw/zinc/51/78/73/1073517873.db2.gz YYBXGBONDRSCID-AQRJEWBLSA-N 0 0 393.444 -1.749 20 0 GAADRN O=C(CN1CC(=O)NC1=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058367985 1073517954 /nfs/dbraw/zinc/51/79/54/1073517954.db2.gz GJOYMZGNINGCRY-TVEHIPJCSA-N 0 0 380.401 -2.101 20 0 GAADRN O=C(CN1CC(=O)NC1=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001058368194 1073518044 /nfs/dbraw/zinc/51/80/44/1073518044.db2.gz OODBUDLDCFPDPD-SLEUVZQESA-N 0 0 382.417 -1.710 20 0 GAADRN O=C(CCn1cnnn1)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001058540926 1073591829 /nfs/dbraw/zinc/59/18/29/1073591829.db2.gz YVWHXVIXAIXNEQ-KCQAQPDRSA-N 0 0 382.421 -1.948 20 0 GAADRN O=C(NCCN(CCO)C(=O)c1c[nH]c(=O)cn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001058605029 1073769743 /nfs/dbraw/zinc/76/97/43/1073769743.db2.gz XIEYBEKFKXORGU-SLEUVZQESA-N 0 0 380.401 -1.628 20 0 GAADRN NS(=O)(=O)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058626497 677394739 /nfs/dbraw/zinc/39/47/39/677394739.db2.gz MOSJKIVMHNODHL-UPJWGTAASA-N 0 0 377.463 -1.440 20 0 GAADRN NS(=O)(=O)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058628069 1073799324 /nfs/dbraw/zinc/79/93/24/1073799324.db2.gz PVESZNUJMNOKLC-JYKNGBAOSA-N 0 0 389.474 -1.584 20 0 GAADRN CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nn1 ZINC001058666248 1073861278 /nfs/dbraw/zinc/86/12/78/1073861278.db2.gz HZWZFQQQUKYHIQ-KCQAQPDRSA-N 0 0 381.433 -1.100 20 0 GAADRN O=C(CCn1cnccc1=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058667690 1073862199 /nfs/dbraw/zinc/86/21/99/1073862199.db2.gz AGIPAQORXBGVMP-JSEZXORMSA-N 0 0 390.440 -1.006 20 0 GAADRN Cn1ncnc1COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058684548 1073867726 /nfs/dbraw/zinc/86/77/26/1073867726.db2.gz BWPDLDKKNSBFRJ-RBUCKAEESA-N 0 0 393.444 -1.308 20 0 GAADRN Cn1cnnc1COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058684852 1073867670 /nfs/dbraw/zinc/86/76/70/1073867670.db2.gz MLUSAIRKDWACQY-RBUCKAEESA-N 0 0 393.444 -1.308 20 0 GAADRN Cn1ncnc1COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058684951 1073867658 /nfs/dbraw/zinc/86/76/58/1073867658.db2.gz POEPYCFKXAPLQT-MCIONIFRSA-N 0 0 381.433 -1.164 20 0 GAADRN Cn1cnnc1COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058685000 1073867768 /nfs/dbraw/zinc/86/77/68/1073867768.db2.gz REPQVZOORWNPOM-MCIONIFRSA-N 0 0 381.433 -1.164 20 0 GAADRN Cc1nonc1CC(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001058688002 1073868281 /nfs/dbraw/zinc/86/82/81/1073868281.db2.gz AQEXQCXIJBLYHS-HEHGZKQESA-N 0 0 382.417 -1.091 20 0 GAADRN Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[nH]c1=O ZINC001058715027 1073880948 /nfs/dbraw/zinc/88/09/48/1073880948.db2.gz VEBLIDMTGVZRMK-SGMGOOAPSA-N 0 0 382.417 -1.272 20 0 GAADRN O=C(CN1CCC(=O)NC1=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058823309 1073934429 /nfs/dbraw/zinc/93/44/29/1073934429.db2.gz IJGRBGSISFQJQJ-CRQFQMBKSA-N 0 0 394.428 -1.711 20 0 GAADRN O=C(CN1CCC(=O)NC1=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058823312 1073934442 /nfs/dbraw/zinc/93/44/42/1073934442.db2.gz IJZQPVBBWFFJBY-UPJWGTAASA-N 0 0 382.417 -1.567 20 0 GAADRN Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001058840064 1073936449 /nfs/dbraw/zinc/93/64/49/1073936449.db2.gz FWXVMVDAKODNQC-RJZRQDKASA-N 0 0 393.444 -1.506 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)O1 ZINC001058840068 1073936321 /nfs/dbraw/zinc/93/63/21/1073936321.db2.gz GCXSLURLJNQBBO-UQAQGZBZSA-N 0 0 381.429 -1.620 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)O1 ZINC001058840131 1073936474 /nfs/dbraw/zinc/93/64/74/1073936474.db2.gz HYWGAROZAUMSNO-XJFOESAGSA-N 0 0 386.449 -2.325 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)O1 ZINC001058840164 1073936465 /nfs/dbraw/zinc/93/64/65/1073936465.db2.gz JJZWRQXKKLHGGS-BTFPBAQTSA-N 0 0 383.445 -1.229 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)O1 ZINC001058840419 1073936411 /nfs/dbraw/zinc/93/64/11/1073936411.db2.gz SBSHMYHENQDXLO-BARDWOONSA-N 0 0 383.445 -1.229 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)O1 ZINC001058840448 1073936963 /nfs/dbraw/zinc/93/69/63/1073936963.db2.gz TWFAQLFYQCFYEZ-MHDGFBEUSA-N 0 0 379.417 -1.517 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)O1 ZINC001058840486 1073936386 /nfs/dbraw/zinc/93/63/86/1073936386.db2.gz VLJJSGVNYXBZIO-BTFPBAQTSA-N 0 0 399.444 -1.992 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@]23CCC[C@H]2OCC3)O1 ZINC001058840496 1073936280 /nfs/dbraw/zinc/93/62/80/1073936280.db2.gz VWKIWJOOFLKXRP-LWGWVAHUSA-N 0 0 383.445 -1.084 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@]23C[C@H]2COC3)O1 ZINC001058842296 1073936911 /nfs/dbraw/zinc/93/69/11/1073936911.db2.gz AEXRJYRNQGHPFU-FLTUCWPJSA-N 0 0 383.445 -1.404 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)O1 ZINC001058842383 1073937522 /nfs/dbraw/zinc/93/75/22/1073937522.db2.gz DQEUYVMUUJTGJE-NNYUYHANSA-N 0 0 386.405 -3.011 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)O1 ZINC001058842571 1073937558 /nfs/dbraw/zinc/93/75/58/1073937558.db2.gz MZZHGXHHUAATIY-MROQNXINSA-N 0 0 384.433 -2.319 20 0 GAADRN Cn1cc([C@@H]2C[C@H]2C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001058842590 1073937536 /nfs/dbraw/zinc/93/75/36/1073937536.db2.gz NOZNLPFINCXYQS-LJISPDSOSA-N 0 0 393.444 -1.506 20 0 GAADRN Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001058842694 1073937541 /nfs/dbraw/zinc/93/75/41/1073937541.db2.gz SFFMQYMLMLIOPM-RJZRQDKASA-N 0 0 393.444 -1.506 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001058842792 1073937637 /nfs/dbraw/zinc/93/76/37/1073937637.db2.gz XDHXBFYEIIVWSR-FVCCEPFGSA-N 0 0 384.433 -2.129 20 0 GAADRN C[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001058842799 1073937591 /nfs/dbraw/zinc/93/75/91/1073937591.db2.gz XJPCCXCYTAZADL-BARDWOONSA-N 0 0 385.461 -1.016 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001058842819 1073937529 /nfs/dbraw/zinc/93/75/29/1073937529.db2.gz YAVHLFKVVXESGH-QNWHQSFQSA-N 0 0 384.433 -2.319 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001058842824 1073937577 /nfs/dbraw/zinc/93/75/77/1073937577.db2.gz YLHDDDDSRDUQIA-MROQNXINSA-N 0 0 384.433 -2.142 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)O1 ZINC001058851145 1073939113 /nfs/dbraw/zinc/93/91/13/1073939113.db2.gz ASRSCBCFKOYFHI-APIJFGDWSA-N 0 0 384.477 -1.633 20 0 GAADRN 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/nfs/dbraw/zinc/85/47/06/1074854706.db2.gz DSQCSUQUNMCBOL-PNBKFKSVSA-N 0 0 377.445 -1.318 20 0 GAADRN Cn1[nH]c(CN2C[C@@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H](O)C2)nc1=O ZINC001083853617 1074856219 /nfs/dbraw/zinc/85/62/19/1074856219.db2.gz DDGXAOTVGVSZCV-GUIRCDHDSA-N 0 0 391.432 -1.929 20 0 GAADRN CS(=O)(=O)CCN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1 ZINC001083853638 1074856316 /nfs/dbraw/zinc/85/63/16/1074856316.db2.gz FIPKZKYHFPMAGL-APIJFGDWSA-N 0 0 386.474 -1.506 20 0 GAADRN O=C(CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1)NC1CC1 ZINC001083853747 1074857413 /nfs/dbraw/zinc/85/74/13/1074857413.db2.gz LLJCYILWGHAAGS-JJAZEVLHSA-N 0 0 377.445 -1.272 20 0 GAADRN Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H](O)C2)nn1 ZINC001083853760 1074857606 /nfs/dbraw/zinc/85/76/06/1074857606.db2.gz MFQCIIHRHBNBPA-DMRZNYOFSA-N 0 0 375.433 -1.222 20 0 GAADRN Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1 ZINC001083853775 1074858237 /nfs/dbraw/zinc/85/82/37/1074858237.db2.gz NFIKTJHUOMIEAM-GUIRCDHDSA-N 0 0 376.421 -1.827 20 0 GAADRN Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H](O)C2)n1 ZINC001083853777 1074858219 /nfs/dbraw/zinc/85/82/19/1074858219.db2.gz NHXPJLUDEMYJCG-DMRZNYOFSA-N 0 0 375.433 -1.222 20 0 GAADRN Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1 ZINC001083853793 1074858189 /nfs/dbraw/zinc/85/81/89/1074858189.db2.gz OECNJGFXNMBQKK-HGTKMLMNSA-N 0 0 375.433 -1.222 20 0 GAADRN Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1 ZINC001083853841 1074858234 /nfs/dbraw/zinc/85/82/34/1074858234.db2.gz RBSOZFLZMSCJOK-DMRZNYOFSA-N 0 0 375.433 -1.222 20 0 GAADRN O=C(N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001083853851 1074858212 /nfs/dbraw/zinc/85/82/12/1074858212.db2.gz ROUVIKLCOGEDFZ-LVQVYYBASA-N 0 0 392.460 -1.525 20 0 GAADRN Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H](O)C2)n1 ZINC001083853913 1074858247 /nfs/dbraw/zinc/85/82/47/1074858247.db2.gz WDFLXPRIIQREML-GUIRCDHDSA-N 0 0 376.421 -1.827 20 0 GAADRN O=C(N[C@@H]1CN(CCn2cncn2)C[C@@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001083853946 1074858654 /nfs/dbraw/zinc/85/86/54/1074858654.db2.gz XQXLCMLXKCRYHN-LVQVYYBASA-N 0 0 375.433 -1.259 20 0 GAADRN Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](O)C1 ZINC001083853973 1074858508 /nfs/dbraw/zinc/85/85/08/1074858508.db2.gz ZMOGUIWJZQYLKX-HGTKMLMNSA-N 0 0 375.433 -1.222 20 0 GAADRN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC001084350997 1074900367 /nfs/dbraw/zinc/90/03/67/1074900367.db2.gz ZURCKJSIMUWDPK-KBUPBQIOSA-N 0 0 391.472 -1.608 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001084419233 1074900205 /nfs/dbraw/zinc/90/02/05/1074900205.db2.gz FYVYBAQUBOYULR-CFAJVAMVSA-N 0 0 380.445 -1.719 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21 ZINC001084420266 1074900260 /nfs/dbraw/zinc/90/02/60/1074900260.db2.gz ZHTNRELBJOPCMZ-SHFYGJNESA-N 0 0 392.456 -1.079 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001084447309 1074900155 /nfs/dbraw/zinc/90/01/55/1074900155.db2.gz IAGFPXMBSCVHTN-KBUPBQIOSA-N 0 0 379.461 -1.210 20 0 GAADRN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCNC(=O)C4)C[C@H]32)O1 ZINC001084447321 1074900346 /nfs/dbraw/zinc/90/03/46/1074900346.db2.gz IPSYWOOISAVCLL-KLHDSHLOSA-N 0 0 393.488 -1.803 20 0 GAADRN Cn1[nH]c(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nc1=O ZINC001084529710 1074900758 /nfs/dbraw/zinc/90/07/58/1074900758.db2.gz YGMKOFZUYLNLTB-SYQHCUMBSA-N 0 0 392.460 -1.046 20 0 GAADRN O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCNC(=O)C1 ZINC001084531258 1074900733 /nfs/dbraw/zinc/90/07/33/1074900733.db2.gz AHGWXXPYCFQZEI-XPTZIUJPSA-N 0 0 388.468 -1.099 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4nnnn4C)C[C@H]32)O1 ZINC001084658254 1074900618 /nfs/dbraw/zinc/90/06/18/1074900618.db2.gz FBNIRRSUJNHEHN-YIYPIFLZSA-N 0 0 377.449 -1.121 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[nH]4)C[C@H]32)O1 ZINC001084658690 1074900672 /nfs/dbraw/zinc/90/06/72/1074900672.db2.gz SYQHMXZCPLLVQS-YIYPIFLZSA-N 0 0 392.460 -1.223 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4nnn(C)n4)C[C@H]32)O1 ZINC001084658780 1074900796 /nfs/dbraw/zinc/90/07/96/1074900796.db2.gz XIPUBYYXSAGYJX-YIYPIFLZSA-N 0 0 377.449 -1.121 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCOCC4)C[C@H]32)O1 ZINC001084658947 1074900682 /nfs/dbraw/zinc/90/06/82/1074900682.db2.gz GJUOUNNEMAQKDC-APIJFGDWSA-N 0 0 380.445 -1.589 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4nnc5n4CCOC5)C[C@H]32)O1 ZINC001084658954 1074900767 /nfs/dbraw/zinc/90/07/67/1074900767.db2.gz HACVOEQNFJUEOF-YIYPIFLZSA-N 0 0 390.444 -1.126 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCNC(=O)C4)C[C@H]32)O1 ZINC001084659045 1074900653 /nfs/dbraw/zinc/90/06/53/1074900653.db2.gz LMQGINLVNBEYBY-YIYPIFLZSA-N 0 0 393.444 -2.490 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)Nc4cnccn4)C[C@H]32)O1 ZINC001084659126 1074900666 /nfs/dbraw/zinc/90/06/66/1074900666.db2.gz PTCWPMNVGAGGGT-YIYPIFLZSA-N 0 0 388.428 -1.019 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001084659490 1074900709 /nfs/dbraw/zinc/90/07/09/1074900709.db2.gz KHQGTNWFWADGOF-FVCCEPFGSA-N 0 0 379.417 -1.896 20 0 GAADRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001084664710 1074901175 /nfs/dbraw/zinc/90/11/75/1074901175.db2.gz KQWZPWGSURWZIO-APIJFGDWSA-N 0 0 391.472 -1.798 20 0 GAADRN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC001084665718 1074901222 /nfs/dbraw/zinc/90/12/22/1074901222.db2.gz POJNAPDAESIIPL-LXTVHRRPSA-N 0 0 391.472 -1.621 20 0 GAADRN CC1(C)NC(=O)N(CCN2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)C1=O ZINC001084666429 1074901103 /nfs/dbraw/zinc/90/11/03/1074901103.db2.gz AYODRWLFAPXIRI-FVCCEPFGSA-N 0 0 377.445 -1.029 20 0 GAADRN Cn1c(CN2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cc(=O)n(C)c1=O ZINC001084666506 1074901194 /nfs/dbraw/zinc/90/11/94/1074901194.db2.gz FWAAFWYFVYAZGR-RUZUBIRVSA-N 0 0 375.429 -1.762 20 0 GAADRN CNC(=O)Cc1noc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)n1 ZINC001084666670 1074901160 /nfs/dbraw/zinc/90/11/60/1074901160.db2.gz OPJSEZSLOCXQLH-WISYIIOYSA-N 0 0 376.417 -1.488 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCC(C(N)=O)CC3)C[C@H]21 ZINC001084666721 1074901076 /nfs/dbraw/zinc/90/10/76/1074901076.db2.gz RGXIMXUCXSWJEP-APIJFGDWSA-N 0 0 391.472 -1.636 20 0 GAADRN CC(=O)N1CCN(C(=O)CN2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)CC1 ZINC001084666861 1074901050 /nfs/dbraw/zinc/90/10/50/1074901050.db2.gz ZCFHPYYTDFOZHW-LVQVYYBASA-N 0 0 391.472 -1.669 20 0 GAADRN O=C(CN1CC[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C[C@@H]21)N1CCNC(=O)C1 ZINC001084945261 1074902693 /nfs/dbraw/zinc/90/26/93/1074902693.db2.gz PFIGOCXTEWYMNP-QZNHQWIBSA-N 0 0 376.457 -1.096 20 0 GAADRN Cn1[nH]c(CN2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)nc1=O ZINC001085031264 1074904704 /nfs/dbraw/zinc/90/47/04/1074904704.db2.gz PMGUUALKMDOLAT-MROQNXINSA-N 0 0 378.433 -1.436 20 0 GAADRN CNC(=O)Cc1noc(CN2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)n1 ZINC001085033961 1074904737 /nfs/dbraw/zinc/90/47/37/1074904737.db2.gz LFPZYJPUXFWPRO-NDBYEHHHSA-N 0 0 390.444 -1.098 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CCN(CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001085034956 1074904685 /nfs/dbraw/zinc/90/46/85/1074904685.db2.gz YMSJSWASTOAXMK-MQYQWHSLSA-N 0 0 377.445 -2.011 20 0 GAADRN CNC(=O)Cc1noc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001085334288 1074910839 /nfs/dbraw/zinc/91/08/39/1074910839.db2.gz DFXLWDBBCRNPGD-WRWGMCAJSA-N 0 0 378.433 -1.004 20 0 GAADRN CN(C[C@@H]1CCN1CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085732273 1074915380 /nfs/dbraw/zinc/91/53/80/1074915380.db2.gz XBFTXNYKSOLCTR-LNORHHCFSA-N 0 0 376.457 -1.099 20 0 GAADRN CN(C[C@H]1CCN1CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085732274 1074915263 /nfs/dbraw/zinc/91/52/63/1074915263.db2.gz XBFTXNYKSOLCTR-YQBONMRBSA-N 0 0 376.457 -1.099 20 0 GAADRN CNC(=O)Cc1noc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001086803671 1075043547 /nfs/dbraw/zinc/04/35/47/1075043547.db2.gz TVZUYRXWTUOCHO-QCNOEVLYSA-N 0 0 378.433 -1.146 20 0 GAADRN Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2NCc2nc(=O)n(C)[nH]2)cn1 ZINC001086980386 1075086269 /nfs/dbraw/zinc/08/62/69/1075086269.db2.gz ZQLOZKURILFKCX-FLTUCWPJSA-N 0 0 387.444 -1.037 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2nnn(C)n2)C1 ZINC001086982740 1075086155 /nfs/dbraw/zinc/08/61/55/1075086155.db2.gz AQYMSDRMZLOJGF-ZIEJDFEHSA-N 0 0 390.448 -1.168 20 0 GAADRN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2nnnn2C)C1 ZINC001086983117 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Cn1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)nn1 ZINC001096535514 1073449196 /nfs/dbraw/zinc/44/91/96/1073449196.db2.gz WBVIFLKEXGRVIB-ILXRZTDVSA-N 0 0 382.490 -1.233 20 0 GAADRN Cn1ncc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)n1 ZINC001096535714 1073449441 /nfs/dbraw/zinc/44/94/41/1073449441.db2.gz ZYPAZEXBEUVYLH-ILXRZTDVSA-N 0 0 382.490 -1.233 20 0 GAADRN Cn1cnnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001096536302 1073449324 /nfs/dbraw/zinc/44/93/24/1073449324.db2.gz QLRMYWOZWCTVFB-RDBSUJKOSA-N 0 0 382.490 -1.233 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1 ZINC001096537031 1073449252 /nfs/dbraw/zinc/44/92/52/1073449252.db2.gz HLTRTTSQTCWHPX-ILXRZTDVSA-N 0 0 382.490 -1.270 20 0 GAADRN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001096566013 1073449986 /nfs/dbraw/zinc/44/99/86/1073449986.db2.gz QIGCJVXXCBDKCZ-NDBYEHHHSA-N 0 0 381.462 -1.079 20 0 GAADRN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001096566014 1073450047 /nfs/dbraw/zinc/45/00/47/1073450047.db2.gz QIGCJVXXCBDKCZ-VOAKCMCISA-N 0 0 381.462 -1.079 20 0 GAADRN CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 ZINC001096575471 1073451653 /nfs/dbraw/zinc/45/16/53/1073451653.db2.gz RNUBPNXJRMKITE-RFGFWPKPSA-N 0 0 378.433 -1.423 20 0 GAADRN CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 ZINC001096575473 1073451478 /nfs/dbraw/zinc/45/14/78/1073451478.db2.gz RNUBPNXJRMKITE-ZOBORPQBSA-N 0 0 378.433 -1.423 20 0 GAADRN CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452432 /nfs/dbraw/zinc/45/24/32/1073452432.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 0 0 379.461 -1.020 20 0 GAADRN CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452611 /nfs/dbraw/zinc/45/26/11/1073452611.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 0 0 379.461 -1.020 20 0 GAADRN CN(C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001096605275 1073452518 /nfs/dbraw/zinc/45/25/18/1073452518.db2.gz HIYJUIQWGGBJHE-DYEKYZERSA-N 0 0 375.433 -1.281 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCCC2)nn1 ZINC001096605286 1073452330 /nfs/dbraw/zinc/45/23/30/1073452330.db2.gz HMEUYDIXJSNMBL-DYEKYZERSA-N 0 0 375.433 -1.279 20 0 GAADRN CN1CCC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605440 1073452298 /nfs/dbraw/zinc/45/22/98/1073452298.db2.gz PECRFQNUJMPNGH-UVLXDEKHSA-N 0 0 375.433 -1.281 20 0 GAADRN CN1CCC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096605441 1073452344 /nfs/dbraw/zinc/45/23/44/1073452344.db2.gz PECRFQNUJMPNGH-XWUBHJNHSA-N 0 0 375.433 -1.281 20 0 GAADRN Cn1[nH]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)nc1=O ZINC001096605653 1073453259 /nfs/dbraw/zinc/45/32/59/1073453259.db2.gz YWFXSWXGNLAVOV-YWVKMMECSA-N 0 0 375.393 -2.280 20 0 GAADRN C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608729 1073453368 /nfs/dbraw/zinc/45/33/68/1073453368.db2.gz BBKXJRKCLPBWJB-TWJQMWNJSA-N 0 0 375.433 -1.234 20 0 GAADRN C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608730 1073453429 /nfs/dbraw/zinc/45/34/29/1073453429.db2.gz BBKXJRKCLPBWJB-WUWHUORYSA-N 0 0 375.433 -1.234 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCNC2=O)nn1 ZINC001096608773 1073453461 /nfs/dbraw/zinc/45/34/61/1073453461.db2.gz DLJXVRGAFZRBFP-MDZLAQPJSA-N 0 0 376.421 -1.876 20 0 GAADRN CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608782 1073453291 /nfs/dbraw/zinc/45/32/91/1073453291.db2.gz DSHLJZAFTZFMFT-UVLXDEKHSA-N 0 0 375.433 -1.281 20 0 GAADRN CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001096608783 1073453206 /nfs/dbraw/zinc/45/32/06/1073453206.db2.gz DSHLJZAFTZFMFT-XWUBHJNHSA-N 0 0 375.433 -1.281 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCCC2=O)nn1 ZINC001096608789 1073453478 /nfs/dbraw/zinc/45/34/78/1073453478.db2.gz FHVNRYHMVNPOOA-DYEKYZERSA-N 0 0 375.433 -1.279 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001096609326 1073453449 /nfs/dbraw/zinc/45/34/49/1073453449.db2.gz NLJMFMBEUICMSO-LLHIFLOGSA-N 0 0 375.389 -2.096 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCC(=O)NC2=O)nn1 ZINC001096609327 1073453344 /nfs/dbraw/zinc/45/33/44/1073453344.db2.gz NLJMFMBEUICMSO-QCZKYFFMSA-N 0 0 375.389 -2.096 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCNC2=O)nn1 ZINC001096609810 1073453390 /nfs/dbraw/zinc/45/33/90/1073453390.db2.gz WPKPUBOTBHCIMZ-UVLXDEKHSA-N 0 0 375.433 -1.410 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCNC2=O)nn1 ZINC001096609816 1073453413 /nfs/dbraw/zinc/45/34/13/1073453413.db2.gz WPKPUBOTBHCIMZ-XWUBHJNHSA-N 0 0 375.433 -1.410 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C)nn1 ZINC001096609990 1073454234 /nfs/dbraw/zinc/45/42/34/1073454234.db2.gz ZULWBTWALXUKHA-DYEKYZERSA-N 0 0 377.449 -1.210 20 0 GAADRN CNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611106 1073453545 /nfs/dbraw/zinc/45/35/45/1073453545.db2.gz IRNMWNAUPAZIBK-NMKXLXIOSA-N 0 0 377.449 -1.164 20 0 GAADRN CNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611107 1073453317 /nfs/dbraw/zinc/45/33/17/1073453317.db2.gz IRNMWNAUPAZIBK-OPDFLTKYSA-N 0 0 377.449 -1.164 20 0 GAADRN CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611238 1073453531 /nfs/dbraw/zinc/45/35/31/1073453531.db2.gz LMGIPWGALUWKMG-WVWOOGAGSA-N 0 0 377.449 -1.035 20 0 GAADRN CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611242 1073453171 /nfs/dbraw/zinc/45/31/71/1073453171.db2.gz LMGIPWGALUWKMG-XWUBHJNHSA-N 0 0 377.449 -1.035 20 0 GAADRN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCOCC2)n(C)c1=O ZINC001096622122 1073454949 /nfs/dbraw/zinc/45/49/49/1073454949.db2.gz KSYKRZGRINAFPN-RDBSUJKOSA-N 0 0 377.445 -1.082 20 0 GAADRN O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001096680077 1073454802 /nfs/dbraw/zinc/45/48/02/1073454802.db2.gz GXTYPHFWRCHZAT-CRWXNKLISA-N 0 0 378.429 -1.381 20 0 GAADRN O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001096680078 1073454759 /nfs/dbraw/zinc/45/47/59/1073454759.db2.gz GXTYPHFWRCHZAT-MQYQWHSLSA-N 0 0 378.429 -1.381 20 0 GAADRN CC1(C)NC(=O)N(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001096781590 1073454678 /nfs/dbraw/zinc/45/46/78/1073454678.db2.gz CIFFHUYBXIRGET-UTUOFQBUSA-N 0 0 376.421 -1.275 20 0 GAADRN CNC(=O)Cc1noc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)n1 ZINC001096781591 1073454881 /nfs/dbraw/zinc/45/48/81/1073454881.db2.gz CKRPPSBXLVGQRQ-MXWKQRLJSA-N 0 0 375.393 -1.734 20 0 GAADRN O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 ZINC001096785484 1073454732 /nfs/dbraw/zinc/45/47/32/1073454732.db2.gz QYJQBINCJRSSIQ-MCIONIFRSA-N 0 0 377.445 -1.711 20 0 GAADRN CNC(=O)Cc1noc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2COCCO2)C3)n1 ZINC001096827822 1073454515 /nfs/dbraw/zinc/45/45/15/1073454515.db2.gz OKLNIVPDYNEABF-FVCCEPFGSA-N 0 0 379.417 -1.005 20 0 GAADRN CNC(=O)Cc1noc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2COCCO2)C3)n1 ZINC001096827823 1073454907 /nfs/dbraw/zinc/45/49/07/1073454907.db2.gz OKLNIVPDYNEABF-NDBYEHHHSA-N 0 0 379.417 -1.005 20 0 GAADRN Cn1c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2COCCO2)C3)cc(=O)n(C)c1=O ZINC001096828097 1073454704 /nfs/dbraw/zinc/45/47/04/1073454704.db2.gz VQLSWOSYURZINQ-REBRKWNGSA-N 0 0 378.429 -1.279 20 0 GAADRN Cn1c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2COCCO2)C3)cc(=O)n(C)c1=O ZINC001096828098 1073454787 /nfs/dbraw/zinc/45/47/87/1073454787.db2.gz VQLSWOSYURZINQ-RZFFKMDDSA-N 0 0 378.429 -1.279 20 0 GAADRN CNC(=O)Cc1noc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)N2)C3)n1 ZINC001096886481 1073455678 /nfs/dbraw/zinc/45/56/78/1073455678.db2.gz NBYBWRQVKIGVHR-KKOKHZNYSA-N 0 0 376.417 -1.142 20 0 GAADRN Cn1c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)N2)C3)cc(=O)n(C)c1=O ZINC001096886993 1073455663 /nfs/dbraw/zinc/45/56/63/1073455663.db2.gz YFWWCMWXOYQYNZ-ZRJCITRHSA-N 0 0 375.429 -1.416 20 0 GAADRN Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)nnn1C ZINC001096908897 1073455608 /nfs/dbraw/zinc/45/56/08/1073455608.db2.gz GWTLVFPOTSWJLK-UPJWGTAASA-N 0 0 375.433 -1.583 20 0 GAADRN CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)C1 ZINC001096912230 1073455623 /nfs/dbraw/zinc/45/56/23/1073455623.db2.gz CILBPVRENARMQG-APIJFGDWSA-N 0 0 379.461 -2.003 20 0 GAADRN CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)C1 ZINC001096912231 1073455683 /nfs/dbraw/zinc/45/56/83/1073455683.db2.gz CILBPVRENARMQG-KBXIAJHMSA-N 0 0 379.461 -2.003 20 0 GAADRN 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Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387023 1073546731 /nfs/dbraw/zinc/54/67/31/1073546731.db2.gz USKQQWWZSRWTKG-KXGXSXBTSA-N 0 0 375.385 -1.374 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCC(=O)NC2=O)c(=O)[nH]c1=O ZINC001098387024 1073546673 /nfs/dbraw/zinc/54/66/73/1073546673.db2.gz USKQQWWZSRWTKG-YJQGPUDQSA-N 0 0 375.385 -1.374 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1 ZINC001098387547 1073546852 /nfs/dbraw/zinc/54/68/52/1073546852.db2.gz HLTRTTSQTCWHPX-KFWWJZLASA-N 0 0 382.490 -1.270 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001098426547 1073546792 /nfs/dbraw/zinc/54/67/92/1073546792.db2.gz QIGCJVXXCBDKCZ-LPWJVIDDSA-N 0 0 381.462 -1.079 20 0 GAADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001098426548 1073546715 /nfs/dbraw/zinc/54/67/15/1073546715.db2.gz QIGCJVXXCBDKCZ-XQHKEYJVSA-N 0 0 381.462 -1.079 20 0 GAADRN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 ZINC001098441619 1073547893 /nfs/dbraw/zinc/54/78/93/1073547893.db2.gz RNUBPNXJRMKITE-MQYQWHSLSA-N 0 0 378.433 -1.423 20 0 GAADRN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 ZINC001098441620 1073547702 /nfs/dbraw/zinc/54/77/02/1073547702.db2.gz RNUBPNXJRMKITE-YIYPIFLZSA-N 0 0 378.433 -1.423 20 0 GAADRN CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547801 /nfs/dbraw/zinc/54/78/01/1073547801.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 0 0 379.461 -1.020 20 0 GAADRN CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547402 /nfs/dbraw/zinc/54/74/02/1073547402.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 0 0 379.461 -1.020 20 0 GAADRN CN(C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001098461583 1073547844 /nfs/dbraw/zinc/54/78/44/1073547844.db2.gz HIYJUIQWGGBJHE-BZPMIXESSA-N 0 0 375.433 -1.281 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCCC2)nn1 ZINC001098461589 1073547724 /nfs/dbraw/zinc/54/77/24/1073547724.db2.gz HMEUYDIXJSNMBL-BZPMIXESSA-N 0 0 375.433 -1.279 20 0 GAADRN Cn1[nH]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)nc1=O ZINC001098462129 1073547857 /nfs/dbraw/zinc/54/78/57/1073547857.db2.gz YWFXSWXGNLAVOV-KKZNHRDASA-N 0 0 375.393 -2.280 20 0 GAADRN C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463681 1073547758 /nfs/dbraw/zinc/54/77/58/1073547758.db2.gz BBKXJRKCLPBWJB-LHMODEAPSA-N 0 0 375.433 -1.234 20 0 GAADRN C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463682 1073547672 /nfs/dbraw/zinc/54/76/72/1073547672.db2.gz BBKXJRKCLPBWJB-RSXIPKFTSA-N 0 0 375.433 -1.234 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN2CCNC2=O)nn1 ZINC001098463741 1073547598 /nfs/dbraw/zinc/54/75/98/1073547598.db2.gz DLJXVRGAFZRBFP-WZRBSPASSA-N 0 0 376.421 -1.876 20 0 GAADRN CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463765 1073547505 /nfs/dbraw/zinc/54/75/05/1073547505.db2.gz DSHLJZAFTZFMFT-MHDGFBEUSA-N 0 0 375.433 -1.281 20 0 GAADRN CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098463768 1073547773 /nfs/dbraw/zinc/54/77/73/1073547773.db2.gz DSHLJZAFTZFMFT-RFHZTLPTSA-N 0 0 375.433 -1.281 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN2CCCC2=O)nn1 ZINC001098463795 1073547943 /nfs/dbraw/zinc/54/79/43/1073547943.db2.gz FHVNRYHMVNPOOA-BZPMIXESSA-N 0 0 375.433 -1.279 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCC(=O)NC2=O)nn1 ZINC001098464137 1073547827 /nfs/dbraw/zinc/54/78/27/1073547827.db2.gz NLJMFMBEUICMSO-LSKIRQOJSA-N 0 0 375.389 -2.096 20 0 GAADRN NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001098464138 1073547912 /nfs/dbraw/zinc/54/79/12/1073547912.db2.gz NLJMFMBEUICMSO-PKZYVASSSA-N 0 0 375.389 -2.096 20 0 GAADRN CN1CCC[C@@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464177 1073547873 /nfs/dbraw/zinc/54/78/73/1073547873.db2.gz PECRFQNUJMPNGH-MHDGFBEUSA-N 0 0 375.433 -1.281 20 0 GAADRN CN1CCC[C@H](N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CC(N)=O)nn2)C3)C1=O ZINC001098464178 1073548301 /nfs/dbraw/zinc/54/83/01/1073548301.db2.gz PECRFQNUJMPNGH-RFHZTLPTSA-N 0 0 375.433 -1.281 20 0 GAADRN CNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464477 1073548469 /nfs/dbraw/zinc/54/84/69/1073548469.db2.gz IRNMWNAUPAZIBK-BYNQJWBRSA-N 0 0 377.449 -1.164 20 0 GAADRN CNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464478 1073548384 /nfs/dbraw/zinc/54/83/84/1073548384.db2.gz IRNMWNAUPAZIBK-SFTQSGBHSA-N 0 0 377.449 -1.164 20 0 GAADRN CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464514 1073548413 /nfs/dbraw/zinc/54/84/13/1073548413.db2.gz LMGIPWGALUWKMG-OXHZDVMGSA-N 0 0 377.449 -1.035 20 0 GAADRN CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464516 1073548809 /nfs/dbraw/zinc/54/88/09/1073548809.db2.gz LMGIPWGALUWKMG-RFHZTLPTSA-N 0 0 377.449 -1.035 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCNC2=O)nn1 ZINC001098464748 1073548719 /nfs/dbraw/zinc/54/87/19/1073548719.db2.gz WPKPUBOTBHCIMZ-MHDGFBEUSA-N 0 0 375.433 -1.410 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCNC2=O)nn1 ZINC001098464749 1073548657 /nfs/dbraw/zinc/54/86/57/1073548657.db2.gz WPKPUBOTBHCIMZ-RFHZTLPTSA-N 0 0 375.433 -1.410 20 0 GAADRN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C)nn1 ZINC001098464814 1073548557 /nfs/dbraw/zinc/54/85/57/1073548557.db2.gz ZULWBTWALXUKHA-BZPMIXESSA-N 0 0 377.449 -1.210 20 0 GAADRN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCOCC2)n(C)c1=O ZINC001098472423 1073548499 /nfs/dbraw/zinc/54/84/99/1073548499.db2.gz KSYKRZGRINAFPN-MCIONIFRSA-N 0 0 377.445 -1.082 20 0 GAADRN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001098522745 1073548885 /nfs/dbraw/zinc/54/88/85/1073548885.db2.gz GXTYPHFWRCHZAT-DGAVXFQQSA-N 0 0 378.429 -1.381 20 0 GAADRN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001098522746 1073549272 /nfs/dbraw/zinc/54/92/72/1073549272.db2.gz GXTYPHFWRCHZAT-SYQHCUMBSA-N 0 0 378.429 -1.381 20 0 GAADRN NC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001098693872 1073550118 /nfs/dbraw/zinc/55/01/18/1073550118.db2.gz ZGIGJTYAEJDRJT-ATVPRXPUSA-N 0 0 378.433 -1.322 20 0 GAADRN NC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001098693873 1073550382 /nfs/dbraw/zinc/55/03/82/1073550382.db2.gz ZGIGJTYAEJDRJT-ZGMNHVEMSA-N 0 0 378.433 -1.322 20 0 GAADRN O=C(CN1C[C@@H]2CCC[C@]2(NC(=O)[C@]23C[C@H]2COC3)C1)N1CCNC(=O)C1 ZINC001098845742 1073550930 /nfs/dbraw/zinc/55/09/30/1073550930.db2.gz CWNXEJICTDJMNB-LSOMNZGLSA-N 0 0 376.457 -1.048 20 0 GAADRN Cn1[nH]c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001099024872 1073551489 /nfs/dbraw/zinc/55/14/89/1073551489.db2.gz BVJSXGUEAWINBG-PXDYOCJYSA-N 0 0 378.433 -1.388 20 0 GAADRN CNC(=O)Cc1noc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001099030335 1073551369 /nfs/dbraw/zinc/55/13/69/1073551369.db2.gz GWSLZGHBYBSMQA-DBYGNECLSA-N 0 0 390.444 -1.050 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(CC(=O)N1CCNC(=O)C1)C2 ZINC001099032215 1073551569 /nfs/dbraw/zinc/55/15/69/1073551569.db2.gz MUQJENCDMDCHBX-YFQWEKLQSA-N 0 0 377.445 -1.963 20 0 GAADRN Cn1nnc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C(F)(F)F)n1 ZINC001099306745 1073552008 /nfs/dbraw/zinc/55/20/08/1073552008.db2.gz RCQWGOXYMDBOGI-DOLQZWNJSA-N 0 0 391.354 -1.278 20 0 GAADRN Cn1nnnc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F ZINC001099306899 1073552161 /nfs/dbraw/zinc/55/21/61/1073552161.db2.gz YDBBJUKWFRESEY-DOLQZWNJSA-N 0 0 391.354 -1.278 20 0 GAADRN Cn1[nH]c(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C(F)(F)F)nc1=O ZINC001099307023 1073551981 /nfs/dbraw/zinc/55/19/81/1073551981.db2.gz FQNSIJZBNQYHJC-BZNPZCIMSA-N 0 0 376.339 -1.291 20 0 GAADRN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001099307336 1073552059 /nfs/dbraw/zinc/55/20/59/1073552059.db2.gz OTJGHTBVPZJBQA-WRWGMCAJSA-N 0 0 392.378 -1.055 20 0 GAADRN Cn1nnc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C3)n1 ZINC001099496981 1073553227 /nfs/dbraw/zinc/55/32/27/1073553227.db2.gz NNLWKMDICCXCCH-JRATXPSKSA-N 0 0 377.449 -1.039 20 0 GAADRN C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001102373961 1073563703 /nfs/dbraw/zinc/56/37/03/1073563703.db2.gz VXRRGBCLSYUDOB-TUVASFSCSA-N 0 0 393.488 -1.470 20 0 GAADRN NC(=O)NC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285245 1073884306 /nfs/dbraw/zinc/88/43/06/1073884306.db2.gz JRQPVQNPCRIMKK-JYKNGBAOSA-N 0 0 389.416 -1.631 20 0 GAADRN 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ZINC001116982630 1073617742 /nfs/dbraw/zinc/61/77/42/1073617742.db2.gz HCKTYLXGYFEGSA-UONOGXRCSA-N 0 0 391.428 -1.317 20 0 GAADRN NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)O1 ZINC001116982631 1073617602 /nfs/dbraw/zinc/61/76/02/1073617602.db2.gz HCKTYLXGYFEGSA-ZIAGYGMSSA-N 0 0 391.428 -1.317 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001116982796 1073617668 /nfs/dbraw/zinc/61/76/68/1073617668.db2.gz IYZLHNLYVZNJPO-RYUDHWBXSA-N 0 0 378.495 -1.344 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001116982797 1073617804 /nfs/dbraw/zinc/61/78/04/1073617804.db2.gz IYZLHNLYVZNJPO-TXEJJXNPSA-N 0 0 378.495 -1.344 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001116982798 1073617545 /nfs/dbraw/zinc/61/75/45/1073617545.db2.gz IYZLHNLYVZNJPO-VXGBXAGGSA-N 0 0 378.495 -1.344 20 0 GAADRN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cc1 ZINC001116983127 1073617701 /nfs/dbraw/zinc/61/77/01/1073617701.db2.gz CKMCIVKSTONQLF-UHFFFAOYSA-N 0 0 391.471 -1.487 20 0 GAADRN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC001116983399 1073617689 /nfs/dbraw/zinc/61/76/89/1073617689.db2.gz FYAJZIOGMNHYEY-UHFFFAOYSA-N 0 0 392.441 -1.014 20 0 GAADRN CC(C)(CNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCOCC1 ZINC001116983446 1073617647 /nfs/dbraw/zinc/61/76/47/1073617647.db2.gz KAJGHGASFCFDPO-CYBMUJFWSA-N 0 0 390.506 -1.389 20 0 GAADRN CC(C)(CNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCOCC1 ZINC001116983447 1073617794 /nfs/dbraw/zinc/61/77/94/1073617794.db2.gz KAJGHGASFCFDPO-ZDUSSCGKSA-N 0 0 390.506 -1.389 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1)NC1CC1 ZINC001116983490 1073617778 /nfs/dbraw/zinc/61/77/78/1073617778.db2.gz QYWSHGYMYRZTSK-UHFFFAOYSA-N 0 0 375.433 -1.737 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CCO1 ZINC001116984119 1073617715 /nfs/dbraw/zinc/61/77/15/1073617715.db2.gz ZDQCRJUNRBUTKT-AWEZNQCLSA-N 0 0 392.412 -1.065 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CCO1 ZINC001116984123 1073617735 /nfs/dbraw/zinc/61/77/35/1073617735.db2.gz ZDQCRJUNRBUTKT-CQSZACIVSA-N 0 0 392.412 -1.065 20 0 GAADRN COC(=O)CCCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001116986686 1073617573 /nfs/dbraw/zinc/61/75/73/1073617573.db2.gz RKIJPOBEECZIKV-UHFFFAOYSA-N 0 0 377.463 -1.319 20 0 GAADRN CS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC001116987154 1073617612 /nfs/dbraw/zinc/61/76/12/1073617612.db2.gz FJIQAVHMUMVKFQ-UHFFFAOYSA-N 0 0 377.444 -1.165 20 0 GAADRN C[C@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1nnc2n1CCC2 ZINC001116988813 1073617685 /nfs/dbraw/zinc/61/76/85/1073617685.db2.gz DGXFBQCLLZXXHQ-QWRGUYRKSA-N 0 0 384.462 -1.106 20 0 GAADRN C[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1nnc2n1CCC2 ZINC001116988819 1073617627 /nfs/dbraw/zinc/61/76/27/1073617627.db2.gz DGXFBQCLLZXXHQ-WDEREUQCSA-N 0 0 384.462 -1.106 20 0 GAADRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)CCO1 ZINC001116988856 1073617657 /nfs/dbraw/zinc/61/76/57/1073617657.db2.gz DUAPTJNDPZWSTC-AWEZNQCLSA-N 0 0 376.413 -1.022 20 0 GAADRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)CCO1 ZINC001116988859 1073618450 /nfs/dbraw/zinc/61/84/50/1073618450.db2.gz DUAPTJNDPZWSTC-CQSZACIVSA-N 0 0 376.413 -1.022 20 0 GAADRN CN(C)CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001116989272 1073618543 /nfs/dbraw/zinc/61/85/43/1073618543.db2.gz HIBLBXLOFGQINZ-LLVKDONJSA-N 0 0 392.503 -1.137 20 0 GAADRN CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)N1CCOCC1 ZINC001116989746 1073618455 /nfs/dbraw/zinc/61/84/55/1073618455.db2.gz KTCRAEGPGJFYMH-AWEZNQCLSA-N 0 0 380.449 -1.271 20 0 GAADRN CC(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)N1CCOCC1 ZINC001116989747 1073618512 /nfs/dbraw/zinc/61/85/12/1073618512.db2.gz KTCRAEGPGJFYMH-CQSZACIVSA-N 0 0 380.449 -1.271 20 0 GAADRN C[C@@H](O)CN(C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@H](C)CO ZINC001116989871 1073618553 /nfs/dbraw/zinc/61/85/53/1073618553.db2.gz MPVGAGQJFQSBBG-CHWSQXEVSA-N 0 0 393.506 -1.055 20 0 GAADRN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001116989873 1073618419 /nfs/dbraw/zinc/61/84/19/1073618419.db2.gz MPVGAGQJFQSBBG-OLZOCXBDSA-N 0 0 393.506 -1.055 20 0 GAADRN C[C@@H](O)CN(C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@@H](C)CO ZINC001116989875 1073618538 /nfs/dbraw/zinc/61/85/38/1073618538.db2.gz MPVGAGQJFQSBBG-QWHCGFSZSA-N 0 0 393.506 -1.055 20 0 GAADRN C[C@H](O)CN(C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@@H](C)CO ZINC001116989879 1073618619 /nfs/dbraw/zinc/61/86/19/1073618619.db2.gz MPVGAGQJFQSBBG-STQMWFEESA-N 0 0 393.506 -1.055 20 0 GAADRN CN(CCS(C)(=O)=O)C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001116990326 1073618494 /nfs/dbraw/zinc/61/84/94/1073618494.db2.gz XJPBRNZUTOHLNL-UHFFFAOYSA-N 0 0 397.519 -1.142 20 0 GAADRN O=C(NCCn1ccnc1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001116990570 1073618561 /nfs/dbraw/zinc/61/85/61/1073618561.db2.gz FOFQCUMKNUIXQP-UHFFFAOYSA-N 0 0 398.423 -1.112 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC001116990826 1073618434 /nfs/dbraw/zinc/61/84/34/1073618434.db2.gz NRGLMQWQFHYKPV-UHFFFAOYSA-N 0 0 387.462 -1.490 20 0 GAADRN CCC(CC)[C@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)N1CCOCC1 ZINC001116991405 1073618408 /nfs/dbraw/zinc/61/84/08/1073618408.db2.gz DUSPGGKQNAMGAD-AWEZNQCLSA-N 0 0 397.476 -1.092 20 0 GAADRN CCC(CC)[C@@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)N1CCOCC1 ZINC001116991406 1073618576 /nfs/dbraw/zinc/61/85/76/1073618576.db2.gz DUSPGGKQNAMGAD-CQSZACIVSA-N 0 0 397.476 -1.092 20 0 GAADRN CC(C)(CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1)NS(C)(=O)=O ZINC001116993239 1073619252 /nfs/dbraw/zinc/61/92/52/1073619252.db2.gz IQUZXBUVCFDFEU-UHFFFAOYSA-N 0 0 388.490 -1.052 20 0 GAADRN CS(=O)(=O)NCCNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC001116993242 1073619141 /nfs/dbraw/zinc/61/91/41/1073619141.db2.gz ISNVPQTYDQKGRS-UHFFFAOYSA-N 0 0 390.849 -1.149 20 0 GAADRN O=C(CNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)N1CCOCC1 ZINC001116993314 1073619147 /nfs/dbraw/zinc/61/91/47/1073619147.db2.gz LLSDVQZKRQQLHR-UHFFFAOYSA-N 0 0 392.412 -1.025 20 0 GAADRN CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCNC(=O)c1cccs1 ZINC001116993563 1073619152 /nfs/dbraw/zinc/61/91/52/1073619152.db2.gz QKGYKEBZIPKOJO-UHFFFAOYSA-N 0 0 382.442 -1.089 20 0 GAADRN O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCOCC(F)(F)F)CC1 ZINC001116993606 1073619291 /nfs/dbraw/zinc/61/92/91/1073619291.db2.gz DSTHMXYMMRXJQK-UHFFFAOYSA-N 0 0 393.326 -1.961 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC001116993868 1073619217 /nfs/dbraw/zinc/61/92/17/1073619217.db2.gz IEIAAMBMEIOTLO-GFCCVEGCSA-N 0 0 382.442 -1.264 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 ZINC001116993872 1073619123 /nfs/dbraw/zinc/61/91/23/1073619123.db2.gz IEIAAMBMEIOTLO-LBPRGKRZSA-N 0 0 382.442 -1.264 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[S@@](C)=O)cc1 ZINC001116994250 1073619298 /nfs/dbraw/zinc/61/92/98/1073619298.db2.gz LFDLAUCWOIJHOI-HSZRJFAPSA-N 0 0 375.472 -1.116 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[S@](C)=O)cc1 ZINC001116994252 1073619309 /nfs/dbraw/zinc/61/93/09/1073619309.db2.gz LFDLAUCWOIJHOI-QHCPKHFHSA-N 0 0 375.472 -1.116 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 ZINC001116994360 1073619305 /nfs/dbraw/zinc/61/93/05/1073619305.db2.gz MPERTWVBLLYJON-GFCCVEGCSA-N 0 0 382.442 -1.264 20 0 GAADRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC001116994361 1073619104 /nfs/dbraw/zinc/61/91/04/1073619104.db2.gz MPERTWVBLLYJON-LBPRGKRZSA-N 0 0 382.442 -1.264 20 0 GAADRN COC(=O)N1CC(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001116994938 1073619289 /nfs/dbraw/zinc/61/92/89/1073619289.db2.gz VWIDVQCJAHPUIY-UHFFFAOYSA-N 0 0 398.441 -1.044 20 0 GAADRN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001116994964 1073619264 /nfs/dbraw/zinc/61/92/64/1073619264.db2.gz WVMCXCPTANLRIX-BEFAXECRSA-N 0 0 388.472 -1.054 20 0 GAADRN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001116994966 1073619226 /nfs/dbraw/zinc/61/92/26/1073619226.db2.gz WVMCXCPTANLRIX-HNAYVOBHSA-N 0 0 388.472 -1.054 20 0 GAADRN CN(C)C(=O)CCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC001116995371 1073619838 /nfs/dbraw/zinc/61/98/38/1073619838.db2.gz YPDKQVVIDVLJJQ-UHFFFAOYSA-N 0 0 381.433 -1.048 20 0 GAADRN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001116995495 1073619879 /nfs/dbraw/zinc/61/98/79/1073619879.db2.gz BAMLIKWODQQZCL-JTQLQIEISA-N 0 0 378.451 -1.223 20 0 GAADRN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC001116995496 1073619995 /nfs/dbraw/zinc/61/99/95/1073619995.db2.gz BAMLIKWODQQZCL-SNVBAGLBSA-N 0 0 378.451 -1.223 20 0 GAADRN CC(=O)N1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC001116996376 1073619772 /nfs/dbraw/zinc/61/97/72/1073619772.db2.gz HUENFDPPVDLQNV-UHFFFAOYSA-N 0 0 397.457 -1.397 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC001116996499 1073619818 /nfs/dbraw/zinc/61/98/18/1073619818.db2.gz MHWDILXPAMIHPL-UHFFFAOYSA-N 0 0 389.430 -1.006 20 0 GAADRN CC(=O)N1CCC(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC001116996835 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/nfs/dbraw/zinc/75/10/98/1073751098.db2.gz LRCSLEFYDWMWRZ-JHJVBQTASA-N 0 0 389.474 -1.211 20 0 GAADRN CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]2COC[C@H]2O1 ZINC001118358809 1073750994 /nfs/dbraw/zinc/75/09/94/1073750994.db2.gz LRCSLEFYDWMWRZ-YNEHKIRRSA-N 0 0 389.474 -1.211 20 0 GAADRN COCCOCCN1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC001118359103 1073751143 /nfs/dbraw/zinc/75/11/43/1073751143.db2.gz NXYWBGHIMFMGKV-UHFFFAOYSA-N 0 0 391.490 -1.513 20 0 GAADRN CCOC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118359230 1073751202 /nfs/dbraw/zinc/75/12/02/1073751202.db2.gz KZTQOYJIJUQLKV-GHMZBOCLSA-N 0 0 376.435 -1.517 20 0 GAADRN CCOC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118359231 1073751153 /nfs/dbraw/zinc/75/11/53/1073751153.db2.gz KZTQOYJIJUQLKV-MNOVXSKESA-N 0 0 376.435 -1.517 20 0 GAADRN CCOC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118359232 1073751176 /nfs/dbraw/zinc/75/11/76/1073751176.db2.gz 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CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118362554 1073751186 /nfs/dbraw/zinc/75/11/86/1073751186.db2.gz BOQONUQZPNRPHR-MNOVXSKESA-N 0 0 396.491 -2.323 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362555 1073751109 /nfs/dbraw/zinc/75/11/09/1073751109.db2.gz BOQONUQZPNRPHR-QWRGUYRKSA-N 0 0 396.491 -2.323 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362557 1073751170 /nfs/dbraw/zinc/75/11/70/1073751170.db2.gz BOQONUQZPNRPHR-WDEREUQCSA-N 0 0 396.491 -2.323 20 0 GAADRN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118362622 1073751165 /nfs/dbraw/zinc/75/11/65/1073751165.db2.gz CELKDESLWLYGOU-NEPJUHHUSA-N 0 0 375.447 -1.062 20 0 GAADRN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118362623 1073751215 /nfs/dbraw/zinc/75/12/15/1073751215.db2.gz CELKDESLWLYGOU-NWDGAFQWSA-N 0 0 375.447 -1.062 20 0 GAADRN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118362624 1073751070 /nfs/dbraw/zinc/75/10/70/1073751070.db2.gz CELKDESLWLYGOU-RYUDHWBXSA-N 0 0 375.447 -1.062 20 0 GAADRN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001118362625 1073751578 /nfs/dbraw/zinc/75/15/78/1073751578.db2.gz CELKDESLWLYGOU-VXGBXAGGSA-N 0 0 375.447 -1.062 20 0 GAADRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118362677 1073751540 /nfs/dbraw/zinc/75/15/40/1073751540.db2.gz DKUCLFIOVGAGLU-GHMZBOCLSA-N 0 0 376.479 -1.102 20 0 GAADRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362678 1073751549 /nfs/dbraw/zinc/75/15/49/1073751549.db2.gz DKUCLFIOVGAGLU-MNOVXSKESA-N 0 0 376.479 -1.102 20 0 GAADRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118362679 1073751561 /nfs/dbraw/zinc/75/15/61/1073751561.db2.gz DKUCLFIOVGAGLU-QWRGUYRKSA-N 0 0 376.479 -1.102 20 0 GAADRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118362680 1073751476 /nfs/dbraw/zinc/75/14/76/1073751476.db2.gz DKUCLFIOVGAGLU-WDEREUQCSA-N 0 0 376.479 -1.102 20 0 GAADRN CNC(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118362989 1073751587 /nfs/dbraw/zinc/75/15/87/1073751587.db2.gz IPEBDSBRSRDKDO-LLVKDONJSA-N 0 0 375.451 -1.944 20 0 GAADRN CNC(=O)NC1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118362990 1073751521 /nfs/dbraw/zinc/75/15/21/1073751521.db2.gz IPEBDSBRSRDKDO-NSHDSACASA-N 0 0 375.451 -1.944 20 0 GAADRN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC001118363005 1073751569 /nfs/dbraw/zinc/75/15/69/1073751569.db2.gz ITKXIIFACAKEOK-AVGNSLFASA-N 0 0 375.447 -1.457 20 0 GAADRN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC001118363006 1073751494 /nfs/dbraw/zinc/75/14/94/1073751494.db2.gz ITKXIIFACAKEOK-RWMBFGLXSA-N 0 0 375.447 -1.457 20 0 GAADRN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC001118363009 1073751605 /nfs/dbraw/zinc/75/16/05/1073751605.db2.gz 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/nfs/dbraw/zinc/75/36/82/1073753682.db2.gz LEEUWIRZSHNOPP-VXGBXAGGSA-N 0 0 390.462 -1.796 20 0 GAADRN COC1(CO)CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001118387301 1073753665 /nfs/dbraw/zinc/75/36/65/1073753665.db2.gz NGAGLGRDMGPETI-UHFFFAOYSA-N 0 0 392.478 -2.063 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCc2ncn(C)n2)CC1 ZINC001118387778 1073753742 /nfs/dbraw/zinc/75/37/42/1073753742.db2.gz UTQAAMIWANOESE-UHFFFAOYSA-N 0 0 387.466 -2.186 20 0 GAADRN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN4C[C@H](O)C[C@H]4C3)cnc21 ZINC001118387809 1073753614 /nfs/dbraw/zinc/75/36/14/1073753614.db2.gz VWBPTJYLKSQBHL-VHSXEESVSA-N 0 0 381.414 -1.526 20 0 GAADRN Cn1cnnc1N1CCN(C(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001118389236 1073753780 /nfs/dbraw/zinc/75/37/80/1073753780.db2.gz DPOKICNRPZTGLJ-UHFFFAOYSA-N 0 0 399.477 -2.042 20 0 GAADRN Cc1noc(CN(C)C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC001118390589 1073753638 /nfs/dbraw/zinc/75/36/38/1073753638.db2.gz VYQCEJDKYCCBSB-UHFFFAOYSA-N 0 0 394.432 -1.661 20 0 GAADRN COCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001118390643 1073753819 /nfs/dbraw/zinc/75/38/19/1073753819.db2.gz XFOANEPMRHHZRC-CYBMUJFWSA-N 0 0 382.417 -1.161 20 0 GAADRN COCC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC001118390644 1073753733 /nfs/dbraw/zinc/75/37/33/1073753733.db2.gz XFOANEPMRHHZRC-ZDUSSCGKSA-N 0 0 382.417 -1.161 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1)NC1CC1 ZINC001118390877 1073753713 /nfs/dbraw/zinc/75/37/13/1073753713.db2.gz ZKCHHRRZBLUJMD-AWEZNQCLSA-N 0 0 393.444 -1.491 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)CC1)NC1CC1 ZINC001118390878 1073753832 /nfs/dbraw/zinc/75/38/32/1073753832.db2.gz ZKCHHRRZBLUJMD-CQSZACIVSA-N 0 0 393.444 -1.491 20 0 GAADRN CC(C)(C)OC(=O)N1CC(O)(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001118398402 1073754270 /nfs/dbraw/zinc/75/42/70/1073754270.db2.gz YTRVOZIHCVLEFL-JTQLQIEISA-N 0 0 392.430 -1.185 20 0 GAADRN CC(C)(C)OC(=O)N1CC(O)(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001118398403 1073754137 /nfs/dbraw/zinc/75/41/37/1073754137.db2.gz YTRVOZIHCVLEFL-SNVBAGLBSA-N 0 0 392.430 -1.185 20 0 GAADRN Cc1noc([C@H](C)N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)n1 ZINC001118402099 1073754437 /nfs/dbraw/zinc/75/44/37/1073754437.db2.gz YOUVVJBRABPYKL-JTQLQIEISA-N 0 0 389.434 -1.324 20 0 GAADRN Cc1noc([C@@H](C)N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)n1 ZINC001118402100 1073754422 /nfs/dbraw/zinc/75/44/22/1073754422.db2.gz YOUVVJBRABPYKL-SNVBAGLBSA-N 0 0 389.434 -1.324 20 0 GAADRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001118402178 1073754233 /nfs/dbraw/zinc/75/42/33/1073754233.db2.gz ZVPFJPCFKOMIGC-GFCCVEGCSA-N 0 0 390.462 -1.126 20 0 GAADRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001118402179 1073754222 /nfs/dbraw/zinc/75/42/22/1073754222.db2.gz ZVPFJPCFKOMIGC-LBPRGKRZSA-N 0 0 390.462 -1.126 20 0 GAADRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC001118402512 1073754251 /nfs/dbraw/zinc/75/42/51/1073754251.db2.gz CJUSRDMIOGKGHK-UHFFFAOYSA-N 0 0 394.480 -1.287 20 0 GAADRN Cn1cnnc1N1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC001118402543 1073754356 /nfs/dbraw/zinc/75/43/56/1073754356.db2.gz CMCJCEJWQPKSAG-UHFFFAOYSA-N 0 0 378.393 -2.478 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)O1 ZINC001118405280 1073754490 /nfs/dbraw/zinc/75/44/90/1073754490.db2.gz LRXYRRGAGZLPAE-AGIUHOORSA-N 0 0 382.417 -1.162 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)O1 ZINC001118405281 1073754162 /nfs/dbraw/zinc/75/41/62/1073754162.db2.gz LRXYRRGAGZLPAE-AVGNSLFASA-N 0 0 382.417 -1.162 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)O1 ZINC001118405282 1073754241 /nfs/dbraw/zinc/75/42/41/1073754241.db2.gz LRXYRRGAGZLPAE-UPJWGTAASA-N 0 0 382.417 -1.162 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)O1 ZINC001118405283 1073754280 /nfs/dbraw/zinc/75/42/80/1073754280.db2.gz LRXYRRGAGZLPAE-XQQFMLRXSA-N 0 0 382.417 -1.162 20 0 GAADRN COC1(CO)CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC001118406735 1073755018 /nfs/dbraw/zinc/75/50/18/1073755018.db2.gz HEYNMEHEOMHEJD-UHFFFAOYSA-N 0 0 399.488 -1.016 20 0 GAADRN NC(=O)CC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC001118409330 1073754901 /nfs/dbraw/zinc/75/49/01/1073754901.db2.gz ODANFXZFTAVVJL-UHFFFAOYSA-N 0 0 391.475 -1.440 20 0 GAADRN O=C(COC(=O)C1(n2cnnn2)CCOCC1)N1CCN(C(=O)C2CC2)CC1 ZINC001118411991 1073755001 /nfs/dbraw/zinc/75/50/01/1073755001.db2.gz IZQSEYUWTOFNRL-UHFFFAOYSA-N 0 0 392.416 -1.197 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2nc3ncccn3n2)CC1 ZINC001118413013 1073754973 /nfs/dbraw/zinc/75/49/73/1073754973.db2.gz SXDNDAFPKGBTTG-UHFFFAOYSA-N 0 0 375.389 -1.487 20 0 GAADRN CC1[C@H](C(=O)OCC(=O)N2CCOCC2)[C@H]1C(=O)OCC(=O)N1CCOCC1 ZINC001118414511 1073754958 /nfs/dbraw/zinc/75/49/58/1073754958.db2.gz ZLQDPYAVHXLUKP-HOTGVXAUSA-N 0 0 398.412 -1.328 20 0 GAADRN COCc1nccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC001118419757 1073754985 /nfs/dbraw/zinc/75/49/85/1073754985.db2.gz GFDNPUGVXQMCCI-UHFFFAOYSA-N 0 0 386.434 -1.488 20 0 GAADRN COCc1nccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)n1 ZINC001118420011 1073754911 /nfs/dbraw/zinc/75/49/11/1073754911.db2.gz KIJSOTJXEUHWDK-UHFFFAOYSA-N 0 0 392.416 -1.243 20 0 GAADRN Cc1cnc2nc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)nn2c1 ZINC001118421010 1073754980 /nfs/dbraw/zinc/75/49/80/1073754980.db2.gz WMBRLDKAZVQUDM-UHFFFAOYSA-N 0 0 389.416 -1.178 20 0 GAADRN CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC001118423535 1073754989 /nfs/dbraw/zinc/75/49/89/1073754989.db2.gz LJNZHJYSOCOBQL-UHFFFAOYSA-N 0 0 386.430 -1.069 20 0 GAADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001118427265 1073754921 /nfs/dbraw/zinc/75/49/21/1073754921.db2.gz IZCAGGAVUWEDIG-DZGCQCFKSA-N 0 0 397.453 -1.028 20 0 GAADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001118427266 1073754970 /nfs/dbraw/zinc/75/49/70/1073754970.db2.gz IZCAGGAVUWEDIG-HIFRSBDPSA-N 0 0 397.453 -1.028 20 0 GAADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001118427267 1073754849 /nfs/dbraw/zinc/75/48/49/1073754849.db2.gz IZCAGGAVUWEDIG-UKRRQHHQSA-N 0 0 397.453 -1.028 20 0 GAADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001118427268 1073754898 /nfs/dbraw/zinc/75/48/98/1073754898.db2.gz IZCAGGAVUWEDIG-ZFWWWQNUSA-N 0 0 397.453 -1.028 20 0 GAADRN CN(C(=O)C(=O)Nc1ccnc(OCCO)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118428040 1073755435 /nfs/dbraw/zinc/75/54/35/1073755435.db2.gz QHEFLDBHLBNGIK-GFCCVEGCSA-N 0 0 386.430 -1.117 20 0 GAADRN CN(C(=O)C(=O)Nc1ccnc(OCCO)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118428141 1073755485 /nfs/dbraw/zinc/75/54/85/1073755485.db2.gz QHEFLDBHLBNGIK-LBPRGKRZSA-N 0 0 386.430 -1.117 20 0 GAADRN CCOC(=O)[C@H]1CNCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001118429407 1073755547 /nfs/dbraw/zinc/75/55/47/1073755547.db2.gz ORPQLVPWNYPLPS-LLVKDONJSA-N 0 0 384.480 -2.355 20 0 GAADRN CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001118429408 1073755408 /nfs/dbraw/zinc/75/54/08/1073755408.db2.gz ORPQLVPWNYPLPS-NSHDSACASA-N 0 0 384.480 -2.355 20 0 GAADRN CO[C@@]1(CO)CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001118434124 1073755422 /nfs/dbraw/zinc/75/54/22/1073755422.db2.gz PUXOCKQZQHSMMB-IBGZPJMESA-N 0 0 396.488 -1.247 20 0 GAADRN CO[C@]1(CO)CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001118434125 1073755610 /nfs/dbraw/zinc/75/56/10/1073755610.db2.gz PUXOCKQZQHSMMB-LJQANCHMSA-N 0 0 396.488 -1.247 20 0 GAADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 ZINC001118434509 1073755370 /nfs/dbraw/zinc/75/53/70/1073755370.db2.gz DGOJCHVHOUADNR-CYBMUJFWSA-N 0 0 379.465 -1.168 20 0 GAADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 ZINC001118434512 1073755396 /nfs/dbraw/zinc/75/53/96/1073755396.db2.gz DGOJCHVHOUADNR-ZDUSSCGKSA-N 0 0 379.465 -1.168 20 0 GAADRN COC1CC(CCNC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC001118434631 1073755584 /nfs/dbraw/zinc/75/55/84/1073755584.db2.gz FNQPOEOILTUSIA-UHFFFAOYSA-N 0 0 376.479 -1.132 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CCN1S(C)(=O)=O ZINC001118434641 1073755505 /nfs/dbraw/zinc/75/55/05/1073755505.db2.gz FUOWSZWLVHQSEO-LLVKDONJSA-N 0 0 396.491 -2.418 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001118434845 1073755461 /nfs/dbraw/zinc/75/54/61/1073755461.db2.gz GVVLUVYJQYGLTF-CMPLNLGQSA-N 0 0 383.382 -1.116 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001118434849 1073755516 /nfs/dbraw/zinc/75/55/16/1073755516.db2.gz GVVLUVYJQYGLTF-JQWIXIFHSA-N 0 0 383.382 -1.116 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001118434850 1073755525 /nfs/dbraw/zinc/75/55/25/1073755525.db2.gz GVVLUVYJQYGLTF-PWSUYJOCSA-N 0 0 383.382 -1.116 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001118434851 1073755472 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398.489 -1.075 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC001118642363 1073776055 /nfs/dbraw/zinc/77/60/55/1073776055.db2.gz ZUIUWTVFPBWYMA-COPLHBTASA-N 0 0 384.410 -1.129 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC001118642364 1073776098 /nfs/dbraw/zinc/77/60/98/1073776098.db2.gz ZUIUWTVFPBWYMA-JTNHKYCSSA-N 0 0 384.410 -1.129 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC001118642365 1073776151 /nfs/dbraw/zinc/77/61/51/1073776151.db2.gz ZUIUWTVFPBWYMA-MISXGVKJSA-N 0 0 384.410 -1.129 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC001118642366 1073776162 /nfs/dbraw/zinc/77/61/62/1073776162.db2.gz ZUIUWTVFPBWYMA-UHIISALHSA-N 0 0 384.410 -1.129 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@]1(C)CO ZINC001118642995 1073776071 /nfs/dbraw/zinc/77/60/71/1073776071.db2.gz AQLUGQWBROKHAL-BLLLJJGKSA-N 0 0 384.458 -1.047 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@]1(C)CO ZINC001118642996 1073776191 /nfs/dbraw/zinc/77/61/91/1073776191.db2.gz AQLUGQWBROKHAL-LRDDRELGSA-N 0 0 384.458 -1.047 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@]1(C)CO ZINC001118642997 1073776207 /nfs/dbraw/zinc/77/62/07/1073776207.db2.gz AQLUGQWBROKHAL-MLGOLLRUSA-N 0 0 384.458 -1.047 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@]1(C)CO ZINC001118642998 1073776117 /nfs/dbraw/zinc/77/61/17/1073776117.db2.gz AQLUGQWBROKHAL-WBMJQRKESA-N 0 0 384.458 -1.047 20 0 GAADRN O=C(NCCNS(=O)(=O)c1cccs1)C(=O)N1CCC(O)(CO)CC1 ZINC001118643265 1073776105 /nfs/dbraw/zinc/77/61/05/1073776105.db2.gz DKKCCWOXCYISOG-UHFFFAOYSA-N 0 0 391.471 -1.512 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1nnc(SC)s1 ZINC001118643510 1073776182 /nfs/dbraw/zinc/77/61/82/1073776182.db2.gz FOADIUQWRIZMJX-BQBZGAKWSA-N 0 0 380.473 -1.196 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1nnc(SC)s1 ZINC001118643511 1073776172 /nfs/dbraw/zinc/77/61/72/1073776172.db2.gz FOADIUQWRIZMJX-NKWVEPMBSA-N 0 0 380.473 -1.196 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1nnc(SC)s1 ZINC001118643512 1073776083 /nfs/dbraw/zinc/77/60/83/1073776083.db2.gz FOADIUQWRIZMJX-RNFRBKRXSA-N 0 0 380.473 -1.196 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1nnc(SC)s1 ZINC001118643513 1073776231 /nfs/dbraw/zinc/77/62/31/1073776231.db2.gz FOADIUQWRIZMJX-RQJHMYQMSA-N 0 0 380.473 -1.196 20 0 GAADRN C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CS1(=O)=O ZINC001118643690 1073776223 /nfs/dbraw/zinc/77/62/23/1073776223.db2.gz HLAIQSQMYUZWQA-GRYCIOLGSA-N 0 0 395.503 -1.392 20 0 GAADRN C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CS1(=O)=O ZINC001118643691 1073776198 /nfs/dbraw/zinc/77/61/98/1073776198.db2.gz HLAIQSQMYUZWQA-IJLUTSLNSA-N 0 0 395.503 -1.392 20 0 GAADRN C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CS1(=O)=O ZINC001118643692 1073776215 /nfs/dbraw/zinc/77/62/15/1073776215.db2.gz 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CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001118647418 1073776657 /nfs/dbraw/zinc/77/66/57/1073776657.db2.gz YMXLUDQCUHZEOU-GMTAPVOTSA-N 0 0 382.460 -2.002 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001118647419 1073776642 /nfs/dbraw/zinc/77/66/42/1073776642.db2.gz YMXLUDQCUHZEOU-HBNTYKKESA-N 0 0 382.460 -2.002 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC001118647420 1073776671 /nfs/dbraw/zinc/77/66/71/1073776671.db2.gz YMXLUDQCUHZEOU-OUAUKWLOSA-N 0 0 382.460 -2.002 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)O1 ZINC001118647440 1073776591 /nfs/dbraw/zinc/77/65/91/1073776591.db2.gz YYIPVSOVGNYRKI-IHRRRGAJSA-N 0 0 397.476 -1.047 20 0 GAADRN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)O1 ZINC001118647441 1073776662 /nfs/dbraw/zinc/77/66/62/1073776662.db2.gz YYIPVSOVGNYRKI-MCIONIFRSA-N 0 0 397.476 -1.047 20 0 GAADRN 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UVCQLVLERRDICU-MNOVXSKESA-N 0 0 376.435 -2.513 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC001118881549 1073798187 /nfs/dbraw/zinc/79/81/87/1073798187.db2.gz UVCQLVLERRDICU-QWRGUYRKSA-N 0 0 376.435 -2.513 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC001118881550 1073798076 /nfs/dbraw/zinc/79/80/76/1073798076.db2.gz UVCQLVLERRDICU-WDEREUQCSA-N 0 0 376.435 -2.513 20 0 GAADRN O=C(C(=O)N1CCC2(CNC(=O)C2)CC1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118882234 1073798055 /nfs/dbraw/zinc/79/80/55/1073798055.db2.gz BLWJFPRLXNOHAJ-UHFFFAOYSA-N 0 0 398.485 -1.249 20 0 GAADRN CCN(C1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1)S(C)(=O)=O ZINC001118882492 1073798085 /nfs/dbraw/zinc/79/80/85/1073798085.db2.gz GXQUZICVKCVPPF-DGCLKSJQSA-N 0 0 387.458 -1.110 20 0 GAADRN COC(=O)[C@]1(N2CCN(C(=O)CN3CCCS3(=O)=O)CC2)CCOC1 ZINC001118882495 1073798175 /nfs/dbraw/zinc/79/81/75/1073798175.db2.gz QVYBCKPQSKZICN-HNNXBMFYSA-N 0 0 375.447 -1.502 20 0 GAADRN COC(=O)[C@@]1(N2CCN(C(=O)CN3CCCS3(=O)=O)CC2)CCOC1 ZINC001118882496 1073798151 /nfs/dbraw/zinc/79/81/51/1073798151.db2.gz QVYBCKPQSKZICN-OAHLLOKOSA-N 0 0 375.447 -1.502 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)CCO1 ZINC001118882976 1073798110 /nfs/dbraw/zinc/79/81/10/1073798110.db2.gz NSCSFNDOJGUHGB-CHWSQXEVSA-N 0 0 396.444 -1.056 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)CCO1 ZINC001118882977 1073798036 /nfs/dbraw/zinc/79/80/36/1073798036.db2.gz NSCSFNDOJGUHGB-OLZOCXBDSA-N 0 0 396.444 -1.056 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)CCO1 ZINC001118882978 1073798094 /nfs/dbraw/zinc/79/80/94/1073798094.db2.gz NSCSFNDOJGUHGB-QWHCGFSZSA-N 0 0 396.444 -1.056 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)CCO1 ZINC001118882979 1073798102 /nfs/dbraw/zinc/79/81/02/1073798102.db2.gz NSCSFNDOJGUHGB-STQMWFEESA-N 0 0 396.444 -1.056 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@@H](C)O1 ZINC001118884916 1073798209 /nfs/dbraw/zinc/79/82/09/1073798209.db2.gz BGQMNEUHULKNHV-YPMHNXCESA-N 0 0 393.400 -1.616 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)CCO1 ZINC001118885000 1073798161 /nfs/dbraw/zinc/79/81/61/1073798161.db2.gz CSISUVRUDWRLHB-NXEZZACHSA-N 0 0 382.339 -1.068 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)CCO1 ZINC001118885001 1073798168 /nfs/dbraw/zinc/79/81/68/1073798168.db2.gz CSISUVRUDWRLHB-UWVGGRQHSA-N 0 0 382.339 -1.068 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)CCO1 ZINC001118885002 1073798143 /nfs/dbraw/zinc/79/81/43/1073798143.db2.gz CSISUVRUDWRLHB-VHSXEESVSA-N 0 0 382.339 -1.068 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)CCO1 ZINC001118885003 1073798119 /nfs/dbraw/zinc/79/81/19/1073798119.db2.gz CSISUVRUDWRLHB-ZJUUUORDSA-N 0 0 382.339 -1.068 20 0 GAADRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118885031 1073798132 /nfs/dbraw/zinc/79/81/32/1073798132.db2.gz DIBRQRCYZZZZCG-ISTLGGKUSA-N 0 0 396.473 -1.092 20 0 GAADRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118885032 1073798198 /nfs/dbraw/zinc/79/81/98/1073798198.db2.gz DIBRQRCYZZZZCG-GSEQWSPDSA-N 0 0 396.473 -1.092 20 0 GAADRN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118885035 1073798220 /nfs/dbraw/zinc/79/82/20/1073798220.db2.gz DIBRQRCYZZZZCG-SRZUTIMKSA-N 0 0 396.473 -1.092 20 0 GAADRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118885038 1073798664 /nfs/dbraw/zinc/79/86/64/1073798664.db2.gz DIBRQRCYZZZZCG-WSJJBZPDSA-N 0 0 396.473 -1.092 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCO1 ZINC001118885058 1073798735 /nfs/dbraw/zinc/79/87/35/1073798735.db2.gz DJHVFJSYDOXHGE-KBXCAEBGSA-N 0 0 399.444 -1.664 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CCO1 ZINC001118885062 1073798781 /nfs/dbraw/zinc/79/87/81/1073798781.db2.gz DJHVFJSYDOXHGE-KDOFPFPSSA-N 0 0 399.444 -1.664 20 0 GAADRN COC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CCO1 ZINC001118885065 1073798800 /nfs/dbraw/zinc/79/88/00/1073798800.db2.gz DJHVFJSYDOXHGE-KSSFIOAISA-N 0 0 399.444 -1.664 20 0 GAADRN COC[C@H]1CN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCO1 ZINC001118885067 1073798810 /nfs/dbraw/zinc/79/88/10/1073798810.db2.gz DJHVFJSYDOXHGE-RDTXWAMCSA-N 0 0 399.444 -1.664 20 0 GAADRN CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118885167 1073798760 /nfs/dbraw/zinc/79/87/60/1073798760.db2.gz FIJLUQBWOVYDBO-UHFFFAOYSA-N 0 0 395.503 -1.484 20 0 GAADRN Cn1ccnc1C(NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1nccn1C ZINC001118885383 1073798649 /nfs/dbraw/zinc/79/86/49/1073798649.db2.gz ZGUIVCDOWMDYEO-UHFFFAOYSA-N 0 0 395.489 -1.064 20 0 GAADRN NC(=O)c1cn(C2CCN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)CC2)nn1 ZINC001118885725 1073798703 /nfs/dbraw/zinc/79/87/03/1073798703.db2.gz PHJSRXIWKWDTHC-CYBMUJFWSA-N 0 0 391.432 -1.917 20 0 GAADRN NC(=O)c1cn(C2CCN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)CC2)nn1 ZINC001118885726 1073798595 /nfs/dbraw/zinc/79/85/95/1073798595.db2.gz PHJSRXIWKWDTHC-ZDUSSCGKSA-N 0 0 391.432 -1.917 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@@H](C)O1 ZINC001118885818 1073798715 /nfs/dbraw/zinc/79/87/15/1073798715.db2.gz RDBVRPPHGXETPK-MCIONIFRSA-N 0 0 387.433 -2.073 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@@H](C)O1 ZINC001118885819 1073798623 /nfs/dbraw/zinc/79/86/23/1073798623.db2.gz RDBVRPPHGXETPK-RDBSUJKOSA-N 0 0 387.433 -2.073 20 0 GAADRN Cn1cc(N2CCN(C(=O)C(=O)N3C[C@](C)(CO)[C@](C)(CO)C3)CC2=O)cn1 ZINC001118885839 1073798583 /nfs/dbraw/zinc/79/85/83/1073798583.db2.gz ROPHVVULUUWFAW-HDICACEKSA-N 0 0 393.444 -1.565 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CCO1 ZINC001118885846 1073798788 /nfs/dbraw/zinc/79/87/88/1073798788.db2.gz RVFQTWFBVIGPKF-GHMZBOCLSA-N 0 0 376.435 -2.212 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)CCO1 ZINC001118885847 1073798681 /nfs/dbraw/zinc/79/86/81/1073798681.db2.gz RVFQTWFBVIGPKF-MNOVXSKESA-N 0 0 376.435 -2.212 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)CCO1 ZINC001118885848 1073798769 /nfs/dbraw/zinc/79/87/69/1073798769.db2.gz RVFQTWFBVIGPKF-QWRGUYRKSA-N 0 0 376.435 -2.212 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CCO1 ZINC001118885849 1073798571 /nfs/dbraw/zinc/79/85/71/1073798571.db2.gz RVFQTWFBVIGPKF-WDEREUQCSA-N 0 0 376.435 -2.212 20 0 GAADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CC2 ZINC001118885927 1073798749 /nfs/dbraw/zinc/79/87/49/1073798749.db2.gz UOAPFFOUHCXHJK-BFHYXJOUSA-N 0 0 383.445 -1.132 20 0 GAADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)CC2 ZINC001118885928 1073798607 /nfs/dbraw/zinc/79/86/07/1073798607.db2.gz UOAPFFOUHCXHJK-HZSPNIEDSA-N 0 0 383.445 -1.132 20 0 GAADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CC2 ZINC001118885929 1073798671 /nfs/dbraw/zinc/79/86/71/1073798671.db2.gz UOAPFFOUHCXHJK-MELADBBJSA-N 0 0 383.445 -1.132 20 0 GAADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)CC2 ZINC001118885930 1073798693 /nfs/dbraw/zinc/79/86/93/1073798693.db2.gz UOAPFFOUHCXHJK-MGPQQGTHSA-N 0 0 383.445 -1.132 20 0 GAADRN COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H]4COC(=O)[C@@H]4C3)CC2)n1 ZINC001118886722 1073799246 /nfs/dbraw/zinc/79/92/46/1073799246.db2.gz ATJFVRMKJNCSAN-VXGBXAGGSA-N 0 0 393.400 -1.508 20 0 GAADRN CCn1nncc1CNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC001118886883 1073799205 /nfs/dbraw/zinc/79/92/05/1073799205.db2.gz GJKYXIRRTVDMKL-JTQLQIEISA-N 0 0 376.377 -1.234 20 0 GAADRN CCn1nncc1CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC001118886885 1073799135 /nfs/dbraw/zinc/79/91/35/1073799135.db2.gz GJKYXIRRTVDMKL-SNVBAGLBSA-N 0 0 376.377 -1.234 20 0 GAADRN CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)NCc2cnnn2CC)CC1 ZINC001118887212 1073799225 /nfs/dbraw/zinc/79/92/25/1073799225.db2.gz IQGVDNRRVMPODS-UHFFFAOYSA-N 0 0 394.432 -1.168 20 0 GAADRN CCOCCOC1CN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC001118887239 1073799216 /nfs/dbraw/zinc/79/92/16/1073799216.db2.gz JOGYTUFYJXBRCE-UHFFFAOYSA-N 0 0 389.474 -1.113 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC001118887291 1073799318 /nfs/dbraw/zinc/79/93/18/1073799318.db2.gz FOLSPIOGCCFMEE-ABAIWWIYSA-N 0 0 391.446 -1.683 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC001118887295 1073799329 /nfs/dbraw/zinc/79/93/29/1073799329.db2.gz FOLSPIOGCCFMEE-IAQYHMDHSA-N 0 0 391.446 -1.683 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC001118887296 1073799144 /nfs/dbraw/zinc/79/91/44/1073799144.db2.gz FOLSPIOGCCFMEE-NHYWBVRUSA-N 0 0 391.446 -1.683 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC001118887298 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ZINC001144582202 1075059537 /nfs/dbraw/zinc/05/95/37/1075059537.db2.gz BTJOHIPWSBZIJL-MRXNPFEDSA-N 0 0 390.506 -1.258 20 0 GAADRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001144582585 1075059509 /nfs/dbraw/zinc/05/95/09/1075059509.db2.gz KFRWHAZZODKSJK-INIZCTEOSA-N 0 0 388.490 -1.016 20 0 GAADRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CCCS(N)(=O)=O)C2)C1=O ZINC001144582586 1075059552 /nfs/dbraw/zinc/05/95/52/1075059552.db2.gz KFRWHAZZODKSJK-MRXNPFEDSA-N 0 0 388.490 -1.016 20 0 GAADRN NS(=O)(=O)CCCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001144582614 1075059505 /nfs/dbraw/zinc/05/95/05/1075059505.db2.gz LISIATXENRMTGM-UHFFFAOYSA-N 0 0 386.434 -1.473 20 0 GAADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CCCS(N)(=O)=O)CC2 ZINC001144582637 1075059485 /nfs/dbraw/zinc/05/94/85/1075059485.db2.gz MLDIFOFWSCYKQH-GFCCVEGCSA-N 0 0 377.463 -1.032 20 0 GAADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CCCS(N)(=O)=O)CC2 ZINC001144582638 1075059545 /nfs/dbraw/zinc/05/95/45/1075059545.db2.gz MLDIFOFWSCYKQH-LBPRGKRZSA-N 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ZINC001144589267 1075059835 /nfs/dbraw/zinc/05/98/35/1075059835.db2.gz LDDYATDIQSSWJK-OUCADQQQSA-N 0 0 399.473 -1.023 20 0 GAADRN Cn1cc(C(=O)N[C@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]3CCCO[C@@H]32)cn1 ZINC001144589502 1075059774 /nfs/dbraw/zinc/05/97/74/1075059774.db2.gz OCCHJJUHXAGBPQ-GZBFAFLISA-N 0 0 399.473 -1.023 20 0 GAADRN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1 ZINC001144589808 1075059887 /nfs/dbraw/zinc/05/98/87/1075059887.db2.gz RWZVTSQQPNTFAE-NEPJUHHUSA-N 0 0 382.508 -1.358 20 0 GAADRN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CCCS(N)(=O)=O)C2 ZINC001144589852 1075059739 /nfs/dbraw/zinc/05/97/39/1075059739.db2.gz SPIRKVUMDSUCSV-UHFFFAOYSA-N 0 0 388.450 -1.706 20 0 GAADRN COCCN1CCO[C@H]2CN(C(=O)CCCS(N)(=O)=O)CC[C@H]2C1=O ZINC001144590240 1075059730 /nfs/dbraw/zinc/05/97/30/1075059730.db2.gz YNWDOCFMLWGIMR-OLZOCXBDSA-N 0 0 377.463 -1.223 20 0 GAADRN Cc1cn([C@H]2C[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001144594180 1075059798 /nfs/dbraw/zinc/05/97/98/1075059798.db2.gz BCUPUFQJEWVSAQ-HOSYDEDBSA-N 0 0 390.418 -1.909 20 0 GAADRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC1N=NC(=S)N1C ZINC001144762920 1075060677 /nfs/dbraw/zinc/06/06/77/1075060677.db2.gz HCDNHTBTGAFAHZ-UHFFFAOYSA-N 0 0 392.507 -1.403 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H](C)O1 ZINC001144777068 1075061322 /nfs/dbraw/zinc/06/13/22/1075061322.db2.gz OWKHSQFZTQPABE-RYUDHWBXSA-N 0 0 393.462 -1.391 20 0 GAADRN COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001144815030 1075061671 /nfs/dbraw/zinc/06/16/71/1075061671.db2.gz GDCJYODFQJDDNF-PETZQIISSA-N 0 0 375.418 -1.074 20 0 GAADRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2CS(=O)(=O)C2)c1 ZINC001144816210 1075061771 /nfs/dbraw/zinc/06/17/71/1075061771.db2.gz YKKOSBHPVRFPGK-UHFFFAOYSA-N 0 0 375.428 -1.306 20 0 GAADRN CSCC[C@H](NC(C)=O)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001144866659 1075062035 /nfs/dbraw/zinc/06/20/35/1075062035.db2.gz XHSDVPOXWCWCAC-ISKAZVJHSA-N 0 0 380.463 -1.796 20 0 GAADRN Cc1ccc(C(=O)NCC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001144882292 1075062081 /nfs/dbraw/zinc/06/20/81/1075062081.db2.gz JGVHMDKHXXJIKN-MWSSHBMTSA-N 0 0 382.413 -1.315 20 0 GAADRN O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144891724 1075061998 /nfs/dbraw/zinc/06/19/98/1075061998.db2.gz ARLPRMYRIIDNLR-AGVUETDJSA-N 0 0 378.425 -1.512 20 0 GAADRN O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144891725 1075062016 /nfs/dbraw/zinc/06/20/16/1075062016.db2.gz ARLPRMYRIIDNLR-IQCWDBRVSA-N 0 0 378.425 -1.512 20 0 GAADRN O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144891726 1075062025 /nfs/dbraw/zinc/06/20/25/1075062025.db2.gz ARLPRMYRIIDNLR-KUUJHZBNSA-N 0 0 378.425 -1.512 20 0 GAADRN O=C(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144891727 1075062096 /nfs/dbraw/zinc/06/20/96/1075062096.db2.gz ARLPRMYRIIDNLR-ZTJBWQLXSA-N 0 0 378.425 -1.512 20 0 GAADRN CC(C)(C)OC(=O)[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccccc1 ZINC001144891753 1075062024 /nfs/dbraw/zinc/06/20/24/1075062024.db2.gz BFGFDHIGMNJWKX-IGQOVBAYSA-N 0 0 383.397 -1.170 20 0 GAADRN CC(C)(C)OC(=O)[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1 ZINC001144891754 1075062090 /nfs/dbraw/zinc/06/20/90/1075062090.db2.gz BFGFDHIGMNJWKX-XDQVBPFNSA-N 0 0 383.397 -1.170 20 0 GAADRN CC(C)(C)OC(=O)[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccc1 ZINC001144891755 1075062066 /nfs/dbraw/zinc/06/20/66/1075062066.db2.gz BFGFDHIGMNJWKX-XJFOESAGSA-N 0 0 383.397 -1.170 20 0 GAADRN CC(C)(C)OC(=O)[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccccc1 ZINC001144891756 1075062010 /nfs/dbraw/zinc/06/20/10/1075062010.db2.gz BFGFDHIGMNJWKX-ZOBORPQBSA-N 0 0 383.397 -1.170 20 0 GAADRN COc1ccc(Br)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1 ZINC001144891822 1075062075 /nfs/dbraw/zinc/06/20/75/1075062075.db2.gz CAYRWXJJDKTJLF-BWVDBABLSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n1 ZINC001144891827 1075062478 /nfs/dbraw/zinc/06/24/78/1075062478.db2.gz CAYRWXJJDKTJLF-CNUIFLNQSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n1 ZINC001144891828 1075062437 /nfs/dbraw/zinc/06/24/37/1075062437.db2.gz CAYRWXJJDKTJLF-FTLITQJKSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n1 ZINC001144891829 1075062429 /nfs/dbraw/zinc/06/24/29/1075062429.db2.gz CAYRWXJJDKTJLF-NBEYISGCSA-N 0 0 379.163 -1.565 20 0 GAADRN CCOc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cnc1Br ZINC001144891962 1075062473 /nfs/dbraw/zinc/06/24/73/1075062473.db2.gz DHUJEELLKXTLMX-FKTZTGRPSA-N 0 0 393.190 -1.175 20 0 GAADRN CCOc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cnc1Br ZINC001144891963 1075062480 /nfs/dbraw/zinc/06/24/80/1075062480.db2.gz DHUJEELLKXTLMX-FXBDTBDDSA-N 0 0 393.190 -1.175 20 0 GAADRN CCOc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cnc1Br ZINC001144891964 1075062402 /nfs/dbraw/zinc/06/24/02/1075062402.db2.gz DHUJEELLKXTLMX-SZEHBUNVSA-N 0 0 393.190 -1.175 20 0 GAADRN CCOc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cnc1Br ZINC001144891965 1075062470 /nfs/dbraw/zinc/06/24/70/1075062470.db2.gz DHUJEELLKXTLMX-UJNFCWOMSA-N 0 0 393.190 -1.175 20 0 GAADRN COc1ccc(-c2nnsc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144892207 1075073723 /nfs/dbraw/zinc/07/37/23/1075073723.db2.gz GRLUDZYKXAQCCO-ADEWGFFLSA-N 0 0 383.382 -1.204 20 0 GAADRN COc1ccc(-c2nnsc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144892208 1075073679 /nfs/dbraw/zinc/07/36/79/1075073679.db2.gz GRLUDZYKXAQCCO-MVWJERBFSA-N 0 0 383.382 -1.204 20 0 GAADRN COc1ccc(-c2nnsc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC001144892209 1075073709 /nfs/dbraw/zinc/07/37/09/1075073709.db2.gz GRLUDZYKXAQCCO-YUSALJHKSA-N 0 0 383.382 -1.204 20 0 GAADRN COc1ccc(-c2nnsc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144892210 1075073672 /nfs/dbraw/zinc/07/36/72/1075073672.db2.gz GRLUDZYKXAQCCO-ZMLRMANQSA-N 0 0 383.382 -1.204 20 0 GAADRN CCOC(=O)c1oc2nccnc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892303 1075073685 /nfs/dbraw/zinc/07/36/85/1075073685.db2.gz HIWOJUIRTXAREW-BDODKLCJSA-N 0 0 383.313 -2.018 20 0 GAADRN CCOC(=O)c1oc2nccnc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892306 1075073643 /nfs/dbraw/zinc/07/36/43/1075073643.db2.gz HIWOJUIRTXAREW-JMOVZRAMSA-N 0 0 383.313 -2.018 20 0 GAADRN CCOC(=O)c1oc2nccnc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892308 1075073660 /nfs/dbraw/zinc/07/36/60/1075073660.db2.gz HIWOJUIRTXAREW-WHFVKQHSSA-N 0 0 383.313 -2.018 20 0 GAADRN CCOC(=O)c1oc2nccnc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892310 1075073719 /nfs/dbraw/zinc/07/37/19/1075073719.db2.gz HIWOJUIRTXAREW-WQGWLQIFSA-N 0 0 383.313 -2.018 20 0 GAADRN CC(C)(C)OC(=O)N=c1ccn(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1N ZINC001144892378 1075073877 /nfs/dbraw/zinc/07/38/77/1075073877.db2.gz HSEITMDOAPKOBB-GRYCIOLGSA-N 0 0 385.373 -1.810 20 0 GAADRN CC(C)(C)OC(=O)N=c1ccn(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1N ZINC001144892379 1075073872 /nfs/dbraw/zinc/07/38/72/1075073872.db2.gz HSEITMDOAPKOBB-IJLUTSLNSA-N 0 0 385.373 -1.810 20 0 GAADRN CC(C)(C)OC(=O)N=c1ccn(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1N ZINC001144892380 1075073852 /nfs/dbraw/zinc/07/38/52/1075073852.db2.gz HSEITMDOAPKOBB-QJPTWQEYSA-N 0 0 385.373 -1.810 20 0 GAADRN CC(C)(C)OC(=O)N=c1ccn(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1N ZINC001144892381 1075073854 /nfs/dbraw/zinc/07/38/54/1075073854.db2.gz HSEITMDOAPKOBB-SDDRHHMPSA-N 0 0 385.373 -1.810 20 0 GAADRN O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892411 1075073882 /nfs/dbraw/zinc/07/38/82/1075073882.db2.gz IFWAJBLDOXQXNA-FPMFFAJLSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892412 1075073874 /nfs/dbraw/zinc/07/38/74/1075073874.db2.gz IFWAJBLDOXQXNA-IACUBPJLSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892413 1075073876 /nfs/dbraw/zinc/07/38/76/1075073876.db2.gz IFWAJBLDOXQXNA-KWCYVHTRSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892414 1075073860 /nfs/dbraw/zinc/07/38/60/1075073860.db2.gz IFWAJBLDOXQXNA-MRVWCRGKSA-N 0 0 394.384 -1.794 20 0 GAADRN Cc1nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)nc(C)c1Br ZINC001144892502 1075073864 /nfs/dbraw/zinc/07/38/64/1075073864.db2.gz IVXTVYMVWLQCTI-BWVDBABLSA-N 0 0 378.179 -1.561 20 0 GAADRN Cc1nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc(C)c1Br ZINC001144892507 1075073869 /nfs/dbraw/zinc/07/38/69/1075073869.db2.gz IVXTVYMVWLQCTI-CNUIFLNQSA-N 0 0 378.179 -1.561 20 0 GAADRN Cc1nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)nc(C)c1Br ZINC001144892508 1075073901 /nfs/dbraw/zinc/07/39/01/1075073901.db2.gz IVXTVYMVWLQCTI-FTLITQJKSA-N 0 0 378.179 -1.561 20 0 GAADRN Cc1nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc(C)c1Br ZINC001144892509 1075073890 /nfs/dbraw/zinc/07/38/90/1075073890.db2.gz IVXTVYMVWLQCTI-NBEYISGCSA-N 0 0 378.179 -1.561 20 0 GAADRN O=C(Nc1cccn2c(Br)cnc12)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892585 1075073855 /nfs/dbraw/zinc/07/38/55/1075073855.db2.gz JEKIOYBNCKNAID-FKTZTGRPSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cccn2c(Br)cnc12)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892586 1075073897 /nfs/dbraw/zinc/07/38/97/1075073897.db2.gz JEKIOYBNCKNAID-FXBDTBDDSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cccn2c(Br)cnc12)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892587 1075073862 /nfs/dbraw/zinc/07/38/62/1075073862.db2.gz JEKIOYBNCKNAID-SZEHBUNVSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cccn2c(Br)cnc12)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892588 1075073850 /nfs/dbraw/zinc/07/38/50/1075073850.db2.gz JEKIOYBNCKNAID-UJNFCWOMSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1nc(Br)cn2ccnc12)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892636 1075073886 /nfs/dbraw/zinc/07/38/86/1075073886.db2.gz JSVCFRIDCQZAPN-APQOSEDMSA-N 0 0 389.162 -1.926 20 0 GAADRN O=C(Nc1nc(Br)cn2ccnc12)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892637 1075073867 /nfs/dbraw/zinc/07/38/67/1075073867.db2.gz JSVCFRIDCQZAPN-LPBLVHEISA-N 0 0 389.162 -1.926 20 0 GAADRN O=C(Nc1nc(Br)cn2ccnc12)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892638 1075073857 /nfs/dbraw/zinc/07/38/57/1075073857.db2.gz JSVCFRIDCQZAPN-MHSYXAOVSA-N 0 0 389.162 -1.926 20 0 GAADRN O=C(Nc1nc(Br)cn2ccnc12)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892639 1075073880 /nfs/dbraw/zinc/07/38/80/1075073880.db2.gz JSVCFRIDCQZAPN-UIISKDMLSA-N 0 0 389.162 -1.926 20 0 GAADRN COc1ccc(-c2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n(C)n2)cc1 ZINC001144892813 1075074236 /nfs/dbraw/zinc/07/42/36/1075074236.db2.gz KXAOSCAUPOHMCW-AEGPPILISA-N 0 0 379.369 -1.322 20 0 GAADRN COc1ccc(-c2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n(C)n2)cc1 ZINC001144892814 1075074174 /nfs/dbraw/zinc/07/41/74/1075074174.db2.gz KXAOSCAUPOHMCW-BPLDGKMQSA-N 0 0 379.369 -1.322 20 0 GAADRN COc1ccc(-c2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n(C)n2)cc1 ZINC001144892815 1075074202 /nfs/dbraw/zinc/07/42/02/1075074202.db2.gz KXAOSCAUPOHMCW-NWANDNLSSA-N 0 0 379.369 -1.322 20 0 GAADRN COc1ccc(-c2cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n(C)n2)cc1 ZINC001144892816 1075074220 /nfs/dbraw/zinc/07/42/20/1075074220.db2.gz KXAOSCAUPOHMCW-VHDGCEQUSA-N 0 0 379.369 -1.322 20 0 GAADRN O=C(Nc1nccnc1OCc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892853 1075074144 /nfs/dbraw/zinc/07/41/44/1075074144.db2.gz LDOGKAHTQNITRP-FRRDWIJNSA-N 0 0 377.353 -1.362 20 0 GAADRN O=C(Nc1nccnc1OCc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892854 1075074228 /nfs/dbraw/zinc/07/42/28/1075074228.db2.gz LDOGKAHTQNITRP-JHJVBQTASA-N 0 0 377.353 -1.362 20 0 GAADRN O=C(Nc1nccnc1OCc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892855 1075074187 /nfs/dbraw/zinc/07/41/87/1075074187.db2.gz LDOGKAHTQNITRP-RWMBFGLXSA-N 0 0 377.353 -1.362 20 0 GAADRN O=C(Nc1nccnc1OCc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892856 1075074164 /nfs/dbraw/zinc/07/41/64/1075074164.db2.gz LDOGKAHTQNITRP-YNEHKIRRSA-N 0 0 377.353 -1.362 20 0 GAADRN O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892857 1075074159 /nfs/dbraw/zinc/07/41/59/1075074159.db2.gz LFENAOILOUNVEL-CYZMBNFOSA-N 0 0 383.357 -2.863 20 0 GAADRN O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892858 1075074216 /nfs/dbraw/zinc/07/42/16/1075074216.db2.gz LFENAOILOUNVEL-KGYLQXTDSA-N 0 0 383.357 -2.863 20 0 GAADRN O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892859 1075074231 /nfs/dbraw/zinc/07/42/31/1075074231.db2.gz LFENAOILOUNVEL-RAIGVLPGSA-N 0 0 383.357 -2.863 20 0 GAADRN O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892860 1075074128 /nfs/dbraw/zinc/07/41/28/1075074128.db2.gz LFENAOILOUNVEL-WCFLWFBJSA-N 0 0 383.357 -2.863 20 0 GAADRN COc1ccc(-c2ccccn2)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892874 1075074198 /nfs/dbraw/zinc/07/41/98/1075074198.db2.gz LMFNITZFSMXAAL-FPMFFAJLSA-N 0 0 377.353 -1.265 20 0 GAADRN COc1ccc(-c2ccccn2)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892875 1075074205 /nfs/dbraw/zinc/07/42/05/1075074205.db2.gz LMFNITZFSMXAAL-IACUBPJLSA-N 0 0 377.353 -1.265 20 0 GAADRN CCOC(=O)c1cc2n(n1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144892943 1075074151 /nfs/dbraw/zinc/07/41/51/1075074151.db2.gz AAOWVDLFMLHPKJ-FRRDWIJNSA-N 0 0 385.373 -2.564 20 0 GAADRN CCOC(=O)c1cc2n(n1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144892944 1075074170 /nfs/dbraw/zinc/07/41/70/1075074170.db2.gz AAOWVDLFMLHPKJ-JHJVBQTASA-N 0 0 385.373 -2.564 20 0 GAADRN CCOC(=O)c1cc2n(n1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144892945 1075074225 /nfs/dbraw/zinc/07/42/25/1075074225.db2.gz AAOWVDLFMLHPKJ-RWMBFGLXSA-N 0 0 385.373 -2.564 20 0 GAADRN CCOC(=O)c1cc2n(n1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144892946 1075074182 /nfs/dbraw/zinc/07/41/82/1075074182.db2.gz AAOWVDLFMLHPKJ-YNEHKIRRSA-N 0 0 385.373 -2.564 20 0 GAADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144892964 1075074378 /nfs/dbraw/zinc/07/43/78/1075074378.db2.gz AIFWREBJJIZIEU-JXOGKFFTSA-N 0 0 375.374 -2.799 20 0 GAADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144892965 1075074406 /nfs/dbraw/zinc/07/44/06/1075074406.db2.gz AIFWREBJJIZIEU-KEBCXIEDSA-N 0 0 375.374 -2.799 20 0 GAADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144892966 1075074402 /nfs/dbraw/zinc/07/44/02/1075074402.db2.gz AIFWREBJJIZIEU-KUOCNIDRSA-N 0 0 375.374 -2.799 20 0 GAADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144892967 1075074398 /nfs/dbraw/zinc/07/43/98/1075074398.db2.gz AIFWREBJJIZIEU-OOPIDFETSA-N 0 0 375.374 -2.799 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893052 1075074381 /nfs/dbraw/zinc/07/43/81/1075074381.db2.gz BNBVVKOLWHMXNY-CNRIWFPOSA-N 0 0 393.396 -2.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893053 1075074391 /nfs/dbraw/zinc/07/43/91/1075074391.db2.gz BNBVVKOLWHMXNY-GLKFPVFTSA-N 0 0 393.396 -2.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893054 1075074399 /nfs/dbraw/zinc/07/43/99/1075074399.db2.gz BNBVVKOLWHMXNY-RIQILIMLSA-N 0 0 393.396 -2.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893055 1075074403 /nfs/dbraw/zinc/07/44/03/1075074403.db2.gz BNBVVKOLWHMXNY-XYTFPVCRSA-N 0 0 393.396 -2.573 20 0 GAADRN COc1ccc(-c2ccccn2)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893076 1075074191 /nfs/dbraw/zinc/07/41/91/1075074191.db2.gz LMFNITZFSMXAAL-KWCYVHTRSA-N 0 0 377.353 -1.265 20 0 GAADRN COc1ccc(-c2ccccn2)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893077 1075074211 /nfs/dbraw/zinc/07/42/11/1075074211.db2.gz LMFNITZFSMXAAL-MRVWCRGKSA-N 0 0 377.353 -1.265 20 0 GAADRN O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893098 1075074385 /nfs/dbraw/zinc/07/43/85/1075074385.db2.gz LPPYXDQUYOLLRD-AEGPPILISA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893099 1075074369 /nfs/dbraw/zinc/07/43/69/1075074369.db2.gz LPPYXDQUYOLLRD-BPLDGKMQSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893100 1075074395 /nfs/dbraw/zinc/07/43/95/1075074395.db2.gz LPPYXDQUYOLLRD-NWANDNLSSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893101 1075074366 /nfs/dbraw/zinc/07/43/66/1075074366.db2.gz LPPYXDQUYOLLRD-VHDGCEQUSA-N 0 0 394.384 -1.794 20 0 GAADRN O=C(Nc1ncnc2c1cnn2-c1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893139 1075074387 /nfs/dbraw/zinc/07/43/87/1075074387.db2.gz MBPBYNNGEYOEBK-FRRDWIJNSA-N 0 0 387.352 -1.602 20 0 GAADRN O=C(Nc1ncnc2c1cnn2-c1ccccc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893140 1075074389 /nfs/dbraw/zinc/07/43/89/1075074389.db2.gz MBPBYNNGEYOEBK-JHJVBQTASA-N 0 0 387.352 -1.602 20 0 GAADRN O=C(Nc1ncnc2c1cnn2-c1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893141 1075074376 /nfs/dbraw/zinc/07/43/76/1075074376.db2.gz MBPBYNNGEYOEBK-RWMBFGLXSA-N 0 0 387.352 -1.602 20 0 GAADRN O=C(Nc1ncnc2c1cnn2-c1ccccc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893142 1075074371 /nfs/dbraw/zinc/07/43/71/1075074371.db2.gz MBPBYNNGEYOEBK-YNEHKIRRSA-N 0 0 387.352 -1.602 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893248 1075074615 /nfs/dbraw/zinc/07/46/15/1075074615.db2.gz CQQKGHIMQFUCID-CKIKVBCHSA-N 0 0 388.417 -1.759 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893249 1075074673 /nfs/dbraw/zinc/07/46/73/1075074673.db2.gz CQQKGHIMQFUCID-FPYNETTCSA-N 0 0 388.417 -1.759 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893250 1075074727 /nfs/dbraw/zinc/07/47/27/1075074727.db2.gz CQQKGHIMQFUCID-OBPIAQAESA-N 0 0 388.417 -1.759 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893251 1075074660 /nfs/dbraw/zinc/07/46/60/1075074660.db2.gz CQQKGHIMQFUCID-ZOLYEBIHSA-N 0 0 388.417 -1.759 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893260 1075074695 /nfs/dbraw/zinc/07/46/95/1075074695.db2.gz CYECZKTYXADHLB-GGUBGCTKSA-N 0 0 399.469 -1.790 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893261 1075074624 /nfs/dbraw/zinc/07/46/24/1075074624.db2.gz CYECZKTYXADHLB-MYYUVRNCSA-N 0 0 399.469 -1.790 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893262 1075074682 /nfs/dbraw/zinc/07/46/82/1075074682.db2.gz CYECZKTYXADHLB-RKEKIRQTSA-N 0 0 399.469 -1.790 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893263 1075074648 /nfs/dbraw/zinc/07/46/48/1075074648.db2.gz CYECZKTYXADHLB-URFZWBKFSA-N 0 0 399.469 -1.790 20 0 GAADRN O=C(C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893514 1075074635 /nfs/dbraw/zinc/07/46/35/1075074635.db2.gz DCFXEISVBODQOZ-CYZMBNFOSA-N 0 0 398.372 -3.632 20 0 GAADRN O=C(C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893526 1075074733 /nfs/dbraw/zinc/07/47/33/1075074733.db2.gz DCFXEISVBODQOZ-KGYLQXTDSA-N 0 0 398.372 -3.632 20 0 GAADRN O=C(C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893532 1075074664 /nfs/dbraw/zinc/07/46/64/1075074664.db2.gz DCFXEISVBODQOZ-RAIGVLPGSA-N 0 0 398.372 -3.632 20 0 GAADRN O=C(C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893534 1075074717 /nfs/dbraw/zinc/07/47/17/1075074717.db2.gz DCFXEISVBODQOZ-WCFLWFBJSA-N 0 0 398.372 -3.632 20 0 GAADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cn1 ZINC001144893537 1075074750 /nfs/dbraw/zinc/07/47/50/1075074750.db2.gz DDIBCJFFSSHOTR-FUVSOYRFSA-N 0 0 382.373 -3.230 20 0 GAADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cn1 ZINC001144893547 1075074677 /nfs/dbraw/zinc/07/46/77/1075074677.db2.gz DDIBCJFFSSHOTR-GGFUIZRSSA-N 0 0 382.373 -3.230 20 0 GAADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cn1 ZINC001144893554 1075074713 /nfs/dbraw/zinc/07/47/13/1075074713.db2.gz DDIBCJFFSSHOTR-GGRQXOBESA-N 0 0 382.373 -3.230 20 0 GAADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cn1 ZINC001144893559 1075074745 /nfs/dbraw/zinc/07/47/45/1075074745.db2.gz DDIBCJFFSSHOTR-QPKSUZNQSA-N 0 0 382.373 -3.230 20 0 GAADRN CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144893586 1075074725 /nfs/dbraw/zinc/07/47/25/1075074725.db2.gz DGWGUKMGYLKSLW-DDTOSNHZSA-N 0 0 399.400 -2.316 20 0 GAADRN CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144893590 1075074742 /nfs/dbraw/zinc/07/47/42/1075074742.db2.gz DGWGUKMGYLKSLW-LERXQTSPSA-N 0 0 399.400 -2.316 20 0 GAADRN CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144893594 1075074709 /nfs/dbraw/zinc/07/47/09/1075074709.db2.gz DGWGUKMGYLKSLW-LEWSCRJBSA-N 0 0 399.400 -2.316 20 0 GAADRN CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144893598 1075074739 /nfs/dbraw/zinc/07/47/39/1075074739.db2.gz DGWGUKMGYLKSLW-ZLKJLUDKSA-N 0 0 399.400 -2.316 20 0 GAADRN CCOC(=O)c1sc(SC)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893602 1075074955 /nfs/dbraw/zinc/07/49/55/1075074955.db2.gz MYXNFOREPTVCGD-DSYKOEDSSA-N 0 0 394.427 -1.376 20 0 GAADRN CCOC(=O)c1sc(SC)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893604 1075074978 /nfs/dbraw/zinc/07/49/78/1075074978.db2.gz MYXNFOREPTVCGD-FSDSQADBSA-N 0 0 394.427 -1.376 20 0 GAADRN CCOC(=O)c1sc(SC)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893607 1075074984 /nfs/dbraw/zinc/07/49/84/1075074984.db2.gz MYXNFOREPTVCGD-LYFYHCNISA-N 0 0 394.427 -1.376 20 0 GAADRN CCOC(=O)c1sc(SC)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893610 1075074949 /nfs/dbraw/zinc/07/49/49/1075074949.db2.gz MYXNFOREPTVCGD-RRKCRQDMSA-N 0 0 394.427 -1.376 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893653 1075074952 /nfs/dbraw/zinc/07/49/52/1075074952.db2.gz DMVRXZUVBYNPID-AHRFKUBPSA-N 0 0 384.410 -2.187 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893663 1075074969 /nfs/dbraw/zinc/07/49/69/1075074969.db2.gz DMVRXZUVBYNPID-BQSNPHCVSA-N 0 0 384.410 -2.187 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893665 1075074932 /nfs/dbraw/zinc/07/49/32/1075074932.db2.gz DMVRXZUVBYNPID-DUIQVVMOSA-N 0 0 384.410 -2.187 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893668 1075074962 /nfs/dbraw/zinc/07/49/62/1075074962.db2.gz DMVRXZUVBYNPID-KHAFSYESSA-N 0 0 384.410 -2.187 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cn1 ZINC001144893699 1075074972 /nfs/dbraw/zinc/07/49/72/1075074972.db2.gz DRRNRCAAKOEGCU-MEBFFEOJSA-N 0 0 396.400 -3.120 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cn1 ZINC001144893703 1075074924 /nfs/dbraw/zinc/07/49/24/1075074924.db2.gz DRRNRCAAKOEGCU-MQLXINIDSA-N 0 0 396.400 -3.120 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cn1 ZINC001144893704 1075074974 /nfs/dbraw/zinc/07/49/74/1075074974.db2.gz DRRNRCAAKOEGCU-RYMFRWLXSA-N 0 0 396.400 -3.120 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cn1 ZINC001144893707 1075074947 /nfs/dbraw/zinc/07/49/47/1075074947.db2.gz DRRNRCAAKOEGCU-ZUWCUPBKSA-N 0 0 396.400 -3.120 20 0 GAADRN O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893740 1075074929 /nfs/dbraw/zinc/07/49/29/1075074929.db2.gz NMTINTGROGSYAC-AEGPPILISA-N 0 0 386.364 -1.021 20 0 GAADRN O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893742 1075074956 /nfs/dbraw/zinc/07/49/56/1075074956.db2.gz NMTINTGROGSYAC-BPLDGKMQSA-N 0 0 386.364 -1.021 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2COC[C@H]12)C1CCC1 ZINC001144893743 1075074959 /nfs/dbraw/zinc/07/49/59/1075074959.db2.gz DUVJUXSRDSTDIG-FAYOZSNISA-N 0 0 386.401 -3.227 20 0 GAADRN O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893744 1075074966 /nfs/dbraw/zinc/07/49/66/1075074966.db2.gz NMTINTGROGSYAC-NWANDNLSSA-N 0 0 386.364 -1.021 20 0 GAADRN O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893745 1075075178 /nfs/dbraw/zinc/07/51/78/1075075178.db2.gz NMTINTGROGSYAC-VHDGCEQUSA-N 0 0 386.364 -1.021 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]2COC[C@H]12)C1CCC1 ZINC001144893746 1075075149 /nfs/dbraw/zinc/07/51/49/1075075149.db2.gz DUVJUXSRDSTDIG-IZMFDJJNSA-N 0 0 386.401 -3.227 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H]2COC[C@H]12)C1CCC1 ZINC001144893748 1075075129 /nfs/dbraw/zinc/07/51/29/1075075129.db2.gz DUVJUXSRDSTDIG-UCKQBZRPSA-N 0 0 386.401 -3.227 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2COC[C@H]12)C1CCC1 ZINC001144893750 1075075164 /nfs/dbraw/zinc/07/51/64/1075075164.db2.gz DUVJUXSRDSTDIG-YOVYLDAJSA-N 0 0 386.401 -3.227 20 0 GAADRN CCN1C[C@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC[C@H]2S1(=O)=O ZINC001144893752 1075075146 /nfs/dbraw/zinc/07/51/46/1075075146.db2.gz DWNUXSUQQUQCHY-NJMOYASZSA-N 0 0 394.446 -3.097 20 0 GAADRN CCN1C[C@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC[C@H]2S1(=O)=O ZINC001144893753 1075075180 /nfs/dbraw/zinc/07/51/80/1075075180.db2.gz DWNUXSUQQUQCHY-NZEXEKPDSA-N 0 0 394.446 -3.097 20 0 GAADRN CCN1C[C@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC[C@H]2S1(=O)=O ZINC001144893754 1075075141 /nfs/dbraw/zinc/07/51/41/1075075141.db2.gz DWNUXSUQQUQCHY-RXGFPQBGSA-N 0 0 394.446 -3.097 20 0 GAADRN CCN1C[C@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@H]2S1(=O)=O ZINC001144893755 1075075137 /nfs/dbraw/zinc/07/51/37/1075075137.db2.gz DWNUXSUQQUQCHY-SYLRKERUSA-N 0 0 394.446 -3.097 20 0 GAADRN O=C(C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893760 1075075157 /nfs/dbraw/zinc/07/51/57/1075075157.db2.gz DZPKIDMTVPUVEY-IZMFDJJNSA-N 0 0 386.401 -3.085 20 0 GAADRN O=C(C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893761 1075075143 /nfs/dbraw/zinc/07/51/43/1075075143.db2.gz DZPKIDMTVPUVEY-QQOHENMQSA-N 0 0 386.401 -3.085 20 0 GAADRN O=C(C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893762 1075075170 /nfs/dbraw/zinc/07/51/70/1075075170.db2.gz DZPKIDMTVPUVEY-QTJJRWQNSA-N 0 0 386.401 -3.085 20 0 GAADRN O=C(C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893763 1075075125 /nfs/dbraw/zinc/07/51/25/1075075125.db2.gz DZPKIDMTVPUVEY-YOVYLDAJSA-N 0 0 386.401 -3.085 20 0 GAADRN O=C(Nc1cn2cc(Br)ccc2n1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893939 1075075161 /nfs/dbraw/zinc/07/51/61/1075075161.db2.gz NQTMCSGPTNMKKG-AVPPRXQKSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cn2cc(Br)ccc2n1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893945 1075075186 /nfs/dbraw/zinc/07/51/86/1075075186.db2.gz NQTMCSGPTNMKKG-BKDNQFJXSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cn2cc(Br)ccc2n1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893947 1075075181 /nfs/dbraw/zinc/07/51/81/1075075181.db2.gz NQTMCSGPTNMKKG-PPKCKEKNSA-N 0 0 388.174 -1.321 20 0 GAADRN O=C(Nc1cn2cc(Br)ccc2n1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893950 1075075152 /nfs/dbraw/zinc/07/51/52/1075075152.db2.gz NQTMCSGPTNMKKG-WHGOUJPWSA-N 0 0 388.174 -1.321 20 0 GAADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893962 1075075133 /nfs/dbraw/zinc/07/51/33/1075075133.db2.gz FFFNFBJKXSLBJG-GYWRDMNDSA-N 0 0 388.417 -1.854 20 0 GAADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893970 1075075167 /nfs/dbraw/zinc/07/51/67/1075075167.db2.gz FFFNFBJKXSLBJG-KYRSXWMPSA-N 0 0 388.417 -1.854 20 0 GAADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893973 1075075174 /nfs/dbraw/zinc/07/51/74/1075075174.db2.gz FFFNFBJKXSLBJG-LUYZOIGPSA-N 0 0 388.417 -1.854 20 0 GAADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893978 1075075172 /nfs/dbraw/zinc/07/51/72/1075075172.db2.gz FFFNFBJKXSLBJG-ZCDBNNQUSA-N 0 0 388.417 -1.854 20 0 GAADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]21 ZINC001144894098 1075075464 /nfs/dbraw/zinc/07/54/64/1075075464.db2.gz FQADLZPVWQFNGC-CKIKVBCHSA-N 0 0 388.417 -1.902 20 0 GAADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144894101 1075075471 /nfs/dbraw/zinc/07/54/71/1075075471.db2.gz FQADLZPVWQFNGC-FPYNETTCSA-N 0 0 388.417 -1.902 20 0 GAADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144894104 1075075481 /nfs/dbraw/zinc/07/54/81/1075075481.db2.gz FQADLZPVWQFNGC-OBPIAQAESA-N 0 0 388.417 -1.902 20 0 GAADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]21 ZINC001144894105 1075075467 /nfs/dbraw/zinc/07/54/67/1075075467.db2.gz FQADLZPVWQFNGC-ZOLYEBIHSA-N 0 0 388.417 -1.902 20 0 GAADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]3O2)n1 ZINC001144894122 1075075422 /nfs/dbraw/zinc/07/54/22/1075075422.db2.gz FRMJEASMVSIDNZ-DVWMECQTSA-N 0 0 385.373 -2.299 20 0 GAADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]3O2)n1 ZINC001144894127 1075075454 /nfs/dbraw/zinc/07/54/54/1075075454.db2.gz FRMJEASMVSIDNZ-LVTVNPDKSA-N 0 0 385.373 -2.299 20 0 GAADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]3O2)n1 ZINC001144894128 1075075473 /nfs/dbraw/zinc/07/54/73/1075075473.db2.gz FRMJEASMVSIDNZ-MJYBNVITSA-N 0 0 385.373 -2.299 20 0 GAADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]3O2)n1 ZINC001144894129 1075075475 /nfs/dbraw/zinc/07/54/75/1075075475.db2.gz FRMJEASMVSIDNZ-WWBIDZNWSA-N 0 0 385.373 -2.299 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894144 1075075446 /nfs/dbraw/zinc/07/54/46/1075075446.db2.gz FSSZZKYQLHJRRX-CQJMVSDSSA-N 0 0 379.413 -2.099 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894149 1075075430 /nfs/dbraw/zinc/07/54/30/1075075430.db2.gz FSSZZKYQLHJRRX-UYJHQMFVSA-N 0 0 379.413 -2.099 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894151 1075075438 /nfs/dbraw/zinc/07/54/38/1075075438.db2.gz FSSZZKYQLHJRRX-XFIYOXNOSA-N 0 0 379.413 -2.099 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894154 1075075477 /nfs/dbraw/zinc/07/54/77/1075075477.db2.gz OOKORAWBVNJHHG-APHBMKBZSA-N 0 0 396.396 -2.296 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894155 1075075458 /nfs/dbraw/zinc/07/54/58/1075075458.db2.gz FSSZZKYQLHJRRX-ZVDSWSACSA-N 0 0 379.413 -2.099 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894158 1075075455 /nfs/dbraw/zinc/07/54/55/1075075455.db2.gz OOKORAWBVNJHHG-DAXOMENPSA-N 0 0 396.396 -2.296 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894159 1075075425 /nfs/dbraw/zinc/07/54/25/1075075425.db2.gz OOKORAWBVNJHHG-UHOFOFEASA-N 0 0 396.396 -2.296 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894160 1075075427 /nfs/dbraw/zinc/07/54/27/1075075427.db2.gz OOKORAWBVNJHHG-VBNZEHGJSA-N 0 0 396.396 -2.296 20 0 GAADRN CCOC(=O)CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894306 1075075642 /nfs/dbraw/zinc/07/56/42/1075075642.db2.gz GDPMZGODUOLOAJ-CWRNSKLLSA-N 0 0 383.397 -1.388 20 0 GAADRN CCOC(=O)CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894312 1075075625 /nfs/dbraw/zinc/07/56/25/1075075625.db2.gz GDPMZGODUOLOAJ-FVQBIDKESA-N 0 0 383.397 -1.388 20 0 GAADRN CCOC(=O)CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894314 1075075640 /nfs/dbraw/zinc/07/56/40/1075075640.db2.gz GDPMZGODUOLOAJ-NUEKZKHPSA-N 0 0 383.397 -1.388 20 0 GAADRN CCOC(=O)CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894315 1075075614 /nfs/dbraw/zinc/07/56/14/1075075614.db2.gz GDPMZGODUOLOAJ-VNQPRFMTSA-N 0 0 383.397 -1.388 20 0 GAADRN Cc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n(Cc2ccccc2F)n1 ZINC001144894335 1075075589 /nfs/dbraw/zinc/07/55/89/1075075589.db2.gz OWDGVIMXNSFONI-AEGPPILISA-N 0 0 381.360 -1.038 20 0 GAADRN Cc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n(Cc2ccccc2F)n1 ZINC001144894337 1075075608 /nfs/dbraw/zinc/07/56/08/1075075608.db2.gz OWDGVIMXNSFONI-BPLDGKMQSA-N 0 0 381.360 -1.038 20 0 GAADRN Cc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n(Cc2ccccc2F)n1 ZINC001144894338 1075075572 /nfs/dbraw/zinc/07/55/72/1075075572.db2.gz OWDGVIMXNSFONI-NWANDNLSSA-N 0 0 381.360 -1.038 20 0 GAADRN Cc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n(Cc2ccccc2F)n1 ZINC001144894340 1075075646 /nfs/dbraw/zinc/07/56/46/1075075646.db2.gz OWDGVIMXNSFONI-VHDGCEQUSA-N 0 0 381.360 -1.038 20 0 GAADRN O=C(C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894375 1075075611 /nfs/dbraw/zinc/07/56/11/1075075611.db2.gz GHZNUBCUELGIGF-QLFBSQMISA-N 0 0 393.400 -2.496 20 0 GAADRN O=C(C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894380 1075075619 /nfs/dbraw/zinc/07/56/19/1075075619.db2.gz GHZNUBCUELGIGF-RBSFLKMASA-N 0 0 393.400 -2.496 20 0 GAADRN O=C(C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894383 1075075650 /nfs/dbraw/zinc/07/56/50/1075075650.db2.gz GHZNUBCUELGIGF-RRFJBIMHSA-N 0 0 393.400 -2.496 20 0 GAADRN O=C(C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894385 1075075599 /nfs/dbraw/zinc/07/55/99/1075075599.db2.gz GHZNUBCUELGIGF-SOUVJXGZSA-N 0 0 393.400 -2.496 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3ccnc3)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894398 1075075592 /nfs/dbraw/zinc/07/55/92/1075075592.db2.gz GJTUTCRDWJFXBG-FPMFFAJLSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3ccnc3)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894402 1075075602 /nfs/dbraw/zinc/07/56/02/1075075602.db2.gz GJTUTCRDWJFXBG-IACUBPJLSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3ccnc3)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894404 1075075630 /nfs/dbraw/zinc/07/56/30/1075075630.db2.gz GJTUTCRDWJFXBG-KWCYVHTRSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3ccnc3)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894406 1075075577 /nfs/dbraw/zinc/07/55/77/1075075577.db2.gz GJTUTCRDWJFXBG-MRVWCRGKSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(NCCCc1cncc(C(F)(F)F)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894415 1075075583 /nfs/dbraw/zinc/07/55/83/1075075583.db2.gz PBGWIOZOSVQNJU-GRYCIOLGSA-N 0 0 380.319 -1.207 20 0 GAADRN O=C(NCCCc1cncc(C(F)(F)F)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894417 1075075655 /nfs/dbraw/zinc/07/56/55/1075075655.db2.gz PBGWIOZOSVQNJU-IJLUTSLNSA-N 0 0 380.319 -1.207 20 0 GAADRN O=C(NCCCc1cncc(C(F)(F)F)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894420 1075075637 /nfs/dbraw/zinc/07/56/37/1075075637.db2.gz PBGWIOZOSVQNJU-QJPTWQEYSA-N 0 0 380.319 -1.207 20 0 GAADRN O=C(NCCCc1cncc(C(F)(F)F)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894421 1075075622 /nfs/dbraw/zinc/07/56/22/1075075622.db2.gz PBGWIOZOSVQNJU-SDDRHHMPSA-N 0 0 380.319 -1.207 20 0 GAADRN CC(C)N(C)Cc1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2C ZINC001144894441 1075075901 /nfs/dbraw/zinc/07/59/01/1075075901.db2.gz GKQGBVCMNOWIGN-FAAHXZRKSA-N 0 0 398.460 -1.729 20 0 GAADRN CC(C)N(C)Cc1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2C ZINC001144894444 1075075968 /nfs/dbraw/zinc/07/59/68/1075075968.db2.gz GKQGBVCMNOWIGN-NMFUWQPSSA-N 0 0 398.460 -1.729 20 0 GAADRN CC(C)N(C)Cc1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]2C ZINC001144894448 1075075934 /nfs/dbraw/zinc/07/59/34/1075075934.db2.gz GKQGBVCMNOWIGN-SPWCGHHHSA-N 0 0 398.460 -1.729 20 0 GAADRN CC(=O)N1CCC(n2nccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144894449 1075075977 /nfs/dbraw/zinc/07/59/77/1075075977.db2.gz PCSSBNIUPZUVEY-FPMFFAJLSA-N 0 0 384.389 -2.351 20 0 GAADRN CC(C)N(C)Cc1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2C ZINC001144894451 1075075888 /nfs/dbraw/zinc/07/58/88/1075075888.db2.gz GKQGBVCMNOWIGN-ZGKBOVNRSA-N 0 0 398.460 -1.729 20 0 GAADRN CC(=O)N1CCC(n2nccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144894456 1075075916 /nfs/dbraw/zinc/07/59/16/1075075916.db2.gz PCSSBNIUPZUVEY-IACUBPJLSA-N 0 0 384.389 -2.351 20 0 GAADRN CC(=O)N1CCC(n2nccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144894458 1075075954 /nfs/dbraw/zinc/07/59/54/1075075954.db2.gz PCSSBNIUPZUVEY-KWCYVHTRSA-N 0 0 384.389 -2.351 20 0 GAADRN CC(=O)N1CCC(n2nccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144894459 1075075981 /nfs/dbraw/zinc/07/59/81/1075075981.db2.gz PCSSBNIUPZUVEY-MRVWCRGKSA-N 0 0 384.389 -2.351 20 0 GAADRN COC(=O)c1sc2c(c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCCC2 ZINC001144894460 1075075963 /nfs/dbraw/zinc/07/59/63/1075075963.db2.gz PDPNNOPWZOUSSW-GGZOMVNGSA-N 0 0 387.410 -1.004 20 0 GAADRN COC(=O)c1sc2c(c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCCC2 ZINC001144894463 1075075929 /nfs/dbraw/zinc/07/59/29/1075075929.db2.gz PDPNNOPWZOUSSW-JFUSQASVSA-N 0 0 387.410 -1.004 20 0 GAADRN COC(=O)c1sc2c(c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCCC2 ZINC001144894464 1075075950 /nfs/dbraw/zinc/07/59/50/1075075950.db2.gz PDPNNOPWZOUSSW-KPXOXKRLSA-N 0 0 387.410 -1.004 20 0 GAADRN COC(=O)c1sc2c(c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCCC2 ZINC001144894465 1075075914 /nfs/dbraw/zinc/07/59/14/1075075914.db2.gz PDPNNOPWZOUSSW-XXILOJSOSA-N 0 0 387.410 -1.004 20 0 GAADRN CCOc1ccccc1N1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144894467 1075075957 /nfs/dbraw/zinc/07/59/57/1075075957.db2.gz PDPZNCXAUJSZTQ-CWRNSKLLSA-N 0 0 382.413 -1.622 20 0 GAADRN CCOc1ccccc1N1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144894469 1075075921 /nfs/dbraw/zinc/07/59/21/1075075921.db2.gz PDPZNCXAUJSZTQ-FVQBIDKESA-N 0 0 382.413 -1.622 20 0 GAADRN CCOc1ccccc1N1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144894472 1075075926 /nfs/dbraw/zinc/07/59/26/1075075926.db2.gz PDPZNCXAUJSZTQ-NUEKZKHPSA-N 0 0 382.413 -1.622 20 0 GAADRN CCOc1ccccc1N1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144894475 1075075960 /nfs/dbraw/zinc/07/59/60/1075075960.db2.gz PDPZNCXAUJSZTQ-VNQPRFMTSA-N 0 0 382.413 -1.622 20 0 GAADRN CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)sc2c1CCC2 ZINC001144894488 1075075881 /nfs/dbraw/zinc/07/58/81/1075075881.db2.gz PELJOYPGROOOHP-GGZOMVNGSA-N 0 0 387.410 -1.004 20 0 GAADRN CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)sc2c1CCC2 ZINC001144894489 1075075944 /nfs/dbraw/zinc/07/59/44/1075075944.db2.gz PELJOYPGROOOHP-JFUSQASVSA-N 0 0 387.410 -1.004 20 0 GAADRN CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)sc2c1CCC2 ZINC001144894490 1075075910 /nfs/dbraw/zinc/07/59/10/1075075910.db2.gz PELJOYPGROOOHP-KPXOXKRLSA-N 0 0 387.410 -1.004 20 0 GAADRN CCOC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)sc2c1CCC2 ZINC001144894493 1075075899 /nfs/dbraw/zinc/07/58/99/1075075899.db2.gz PELJOYPGROOOHP-XXILOJSOSA-N 0 0 387.410 -1.004 20 0 GAADRN O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894596 1075076115 /nfs/dbraw/zinc/07/61/15/1075076115.db2.gz HAZWLTOFJZJVTR-CAFXUDQZSA-N 0 0 382.373 -3.463 20 0 GAADRN O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894597 1075076166 /nfs/dbraw/zinc/07/61/66/1075076166.db2.gz HAZWLTOFJZJVTR-KHQUWSPVSA-N 0 0 382.373 -3.463 20 0 GAADRN O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894598 1075076150 /nfs/dbraw/zinc/07/61/50/1075076150.db2.gz HAZWLTOFJZJVTR-SSYGJKRZSA-N 0 0 382.373 -3.463 20 0 GAADRN O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894599 1075076143 /nfs/dbraw/zinc/07/61/43/1075076143.db2.gz HAZWLTOFJZJVTR-VSEIDBEKSA-N 0 0 382.373 -3.463 20 0 GAADRN CCOC(=O)c1ncn2c1cccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894697 1075076146 /nfs/dbraw/zinc/07/61/46/1075076146.db2.gz PXSDJLORTMOGTH-JIMOISOXSA-N 0 0 381.341 -1.906 20 0 GAADRN O=C(C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894698 1075076156 /nfs/dbraw/zinc/07/61/56/1075076156.db2.gz HMOZGDFOLJHWDV-FUVSOYRFSA-N 0 0 382.369 -2.403 20 0 GAADRN CCOC(=O)c1ncn2c1cccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894699 1075076128 /nfs/dbraw/zinc/07/61/28/1075076128.db2.gz PXSDJLORTMOGTH-OASPWFOLSA-N 0 0 381.341 -1.906 20 0 GAADRN CCOC(=O)c1ncn2c1cccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894700 1075076163 /nfs/dbraw/zinc/07/61/63/1075076163.db2.gz PXSDJLORTMOGTH-TVYUQYBPSA-N 0 0 381.341 -1.906 20 0 GAADRN O=C(C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894701 1075076111 /nfs/dbraw/zinc/07/61/11/1075076111.db2.gz HMOZGDFOLJHWDV-GGFUIZRSSA-N 0 0 382.369 -2.403 20 0 GAADRN CCOC(=O)c1ncn2c1cccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894702 1075076159 /nfs/dbraw/zinc/07/61/59/1075076159.db2.gz PXSDJLORTMOGTH-ZWKOPEQDSA-N 0 0 381.341 -1.906 20 0 GAADRN O=C(C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894703 1075076104 /nfs/dbraw/zinc/07/61/04/1075076104.db2.gz HMOZGDFOLJHWDV-GGRQXOBESA-N 0 0 382.369 -2.403 20 0 GAADRN O=C(C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894705 1075076134 /nfs/dbraw/zinc/07/61/34/1075076134.db2.gz HMOZGDFOLJHWDV-QPKSUZNQSA-N 0 0 382.369 -2.403 20 0 GAADRN Cn1cc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C3)CC2=O)cn1 ZINC001144894725 1075076139 /nfs/dbraw/zinc/07/61/39/1075076139.db2.gz HNQKKQLCQILJRU-ABYLEIOUSA-N 0 0 396.400 -2.980 20 0 GAADRN Cn1cc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C3)CC2=O)cn1 ZINC001144894727 1075076131 /nfs/dbraw/zinc/07/61/31/1075076131.db2.gz HNQKKQLCQILJRU-HVOFVXBASA-N 0 0 396.400 -2.980 20 0 GAADRN Cn1cc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C3)CC2=O)cn1 ZINC001144894728 1075076107 /nfs/dbraw/zinc/07/61/07/1075076107.db2.gz HNQKKQLCQILJRU-LSCFUAHRSA-N 0 0 396.400 -2.980 20 0 GAADRN Cn1cc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C3)CC2=O)cn1 ZINC001144894729 1075076099 /nfs/dbraw/zinc/07/60/99/1075076099.db2.gz HNQKKQLCQILJRU-ZCTGUTNYSA-N 0 0 396.400 -2.980 20 0 GAADRN CCOC(=O)c1sc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)nc1C1CC1 ZINC001144894819 1075076441 /nfs/dbraw/zinc/07/64/41/1075076441.db2.gz IFEPZZJVBUUORM-FKTZTGRPSA-N 0 0 388.398 -1.220 20 0 GAADRN CCOC(=O)c1sc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc1C1CC1 ZINC001144894821 1075076405 /nfs/dbraw/zinc/07/64/05/1075076405.db2.gz IFEPZZJVBUUORM-FXBDTBDDSA-N 0 0 388.398 -1.220 20 0 GAADRN CCOC(=O)c1sc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)nc1C1CC1 ZINC001144894822 1075076418 /nfs/dbraw/zinc/07/64/18/1075076418.db2.gz IFEPZZJVBUUORM-SZEHBUNVSA-N 0 0 388.398 -1.220 20 0 GAADRN CCOC(=O)c1sc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc1C1CC1 ZINC001144894823 1075076389 /nfs/dbraw/zinc/07/63/89/1075076389.db2.gz IFEPZZJVBUUORM-UJNFCWOMSA-N 0 0 388.398 -1.220 20 0 GAADRN O=C(C(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894864 1075076397 /nfs/dbraw/zinc/07/63/97/1075076397.db2.gz ITFHTBRAKWIJHG-ARFHVFGLSA-N 0 0 395.383 -1.084 20 0 GAADRN O=C(C(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894865 1075076383 /nfs/dbraw/zinc/07/63/83/1075076383.db2.gz ITFHTBRAKWIJHG-BZUAXINKSA-N 0 0 395.383 -1.084 20 0 GAADRN O=C(C(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894866 1075076434 /nfs/dbraw/zinc/07/64/34/1075076434.db2.gz ITFHTBRAKWIJHG-HRCADAONSA-N 0 0 395.383 -1.084 20 0 GAADRN O=C(C(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894867 1075076401 /nfs/dbraw/zinc/07/64/01/1075076401.db2.gz ITFHTBRAKWIJHG-OWCLPIDISA-N 0 0 395.383 -1.084 20 0 GAADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)O2)n1 ZINC001144894888 1075076355 /nfs/dbraw/zinc/07/63/55/1075076355.db2.gz IZWJTGOTOFTEHU-HDLKOFKZSA-N 0 0 385.373 -2.157 20 0 GAADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)O2)n1 ZINC001144894891 1075076422 /nfs/dbraw/zinc/07/64/22/1075076422.db2.gz IZWJTGOTOFTEHU-JOLBHGKHSA-N 0 0 385.373 -2.157 20 0 GAADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2)n1 ZINC001144894893 1075076329 /nfs/dbraw/zinc/07/63/29/1075076329.db2.gz IZWJTGOTOFTEHU-NMIFLECGSA-N 0 0 385.373 -2.157 20 0 GAADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)O2)n1 ZINC001144894896 1075076367 /nfs/dbraw/zinc/07/63/67/1075076367.db2.gz IZWJTGOTOFTEHU-RBBWPXTMSA-N 0 0 385.373 -2.157 20 0 GAADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894935 1075076428 /nfs/dbraw/zinc/07/64/28/1075076428.db2.gz ROHIFBZJWVXOPL-DVVUODLYSA-N 0 0 398.393 -1.026 20 0 GAADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894938 1075076350 /nfs/dbraw/zinc/07/63/50/1075076350.db2.gz ROHIFBZJWVXOPL-FBIMIBRVSA-N 0 0 398.393 -1.026 20 0 GAADRN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]32)C1=O ZINC001144894939 1075076375 /nfs/dbraw/zinc/07/63/75/1075076375.db2.gz JFZIEQMMEXZPFO-FHWWIPJOSA-N 0 0 397.428 -2.482 20 0 GAADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894940 1075076342 /nfs/dbraw/zinc/07/63/42/1075076342.db2.gz ROHIFBZJWVXOPL-INTQDDNPSA-N 0 0 398.393 -1.026 20 0 GAADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894941 1075076412 /nfs/dbraw/zinc/07/64/12/1075076412.db2.gz ROHIFBZJWVXOPL-JMJZKYOTSA-N 0 0 398.393 -1.026 20 0 GAADRN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]32)C1=O ZINC001144894942 1075076338 /nfs/dbraw/zinc/07/63/38/1075076338.db2.gz JFZIEQMMEXZPFO-QGKBCTMRSA-N 0 0 397.428 -2.482 20 0 GAADRN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]32)C1=O ZINC001144894944 1075076371 /nfs/dbraw/zinc/07/63/71/1075076371.db2.gz JFZIEQMMEXZPFO-QZWOAROBSA-N 0 0 397.428 -2.482 20 0 GAADRN CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]32)C1=O ZINC001144894947 1075076360 /nfs/dbraw/zinc/07/63/60/1075076360.db2.gz JFZIEQMMEXZPFO-RYNUQHCNSA-N 0 0 397.428 -2.482 20 0 GAADRN O=C(C(=O)N1CCN(c2noc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894973 1075076592 /nfs/dbraw/zinc/07/65/92/1075076592.db2.gz RVFGIKYFABDXNH-FPMFFAJLSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2noc3ccccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894978 1075076577 /nfs/dbraw/zinc/07/65/77/1075076577.db2.gz RVFGIKYFABDXNH-IACUBPJLSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2noc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894980 1075076580 /nfs/dbraw/zinc/07/65/80/1075076580.db2.gz RVFGIKYFABDXNH-KWCYVHTRSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2noc3ccccc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894982 1075062454 /nfs/dbraw/zinc/06/24/54/1075062454.db2.gz RVFGIKYFABDXNH-MRVWCRGKSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895052 1075062422 /nfs/dbraw/zinc/06/24/22/1075062422.db2.gz JUYPACZIWDEEMB-BDLOOMQFSA-N 0 0 392.408 -1.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895053 1075062464 /nfs/dbraw/zinc/06/24/64/1075062464.db2.gz JUYPACZIWDEEMB-BIYBGRMPSA-N 0 0 392.408 -1.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895054 1075062442 /nfs/dbraw/zinc/06/24/42/1075062442.db2.gz JUYPACZIWDEEMB-VFPIZLKKSA-N 0 0 392.408 -1.573 20 0 GAADRN O=C(C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895055 1075062450 /nfs/dbraw/zinc/06/24/50/1075062450.db2.gz JUYPACZIWDEEMB-XPLWTBFPSA-N 0 0 392.408 -1.573 20 0 GAADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]2C1 ZINC001144895076 1075062412 /nfs/dbraw/zinc/06/24/12/1075062412.db2.gz KBPNGKWILRMZJJ-AJSWTNHPSA-N 0 0 388.417 -2.839 20 0 GAADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H]2C1 ZINC001144895077 1075062391 /nfs/dbraw/zinc/06/23/91/1075062391.db2.gz KBPNGKWILRMZJJ-BPKMXRTBSA-N 0 0 388.417 -2.839 20 0 GAADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2C1 ZINC001144895078 1075062408 /nfs/dbraw/zinc/06/24/08/1075062408.db2.gz KBPNGKWILRMZJJ-XADZXUCXSA-N 0 0 388.417 -2.839 20 0 GAADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2C1 ZINC001144895079 1075062418 /nfs/dbraw/zinc/06/24/18/1075062418.db2.gz KBPNGKWILRMZJJ-YHBOFVJASA-N 0 0 388.417 -2.839 20 0 GAADRN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]2C1 ZINC001144895121 1075062680 /nfs/dbraw/zinc/06/26/80/1075062680.db2.gz KJJCRQDWBIGLJL-CSYMLDBXSA-N 0 0 380.419 -3.487 20 0 GAADRN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2C1 ZINC001144895129 1075062738 /nfs/dbraw/zinc/06/27/38/1075062738.db2.gz KJJCRQDWBIGLJL-IYKVGLELSA-N 0 0 380.419 -3.487 20 0 GAADRN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]2C1 ZINC001144895131 1075062678 /nfs/dbraw/zinc/06/26/78/1075062678.db2.gz KJJCRQDWBIGLJL-WTPMCQDGSA-N 0 0 380.419 -3.487 20 0 GAADRN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]2C1 ZINC001144895132 1075062726 /nfs/dbraw/zinc/06/27/26/1075062726.db2.gz KJJCRQDWBIGLJL-YBXAARCKSA-N 0 0 380.419 -3.487 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895210 1075062665 /nfs/dbraw/zinc/06/26/65/1075062665.db2.gz KXAFTAZKHLRXIE-QLFBSQMISA-N 0 0 393.396 -1.451 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895212 1075062764 /nfs/dbraw/zinc/06/27/64/1075062764.db2.gz KXAFTAZKHLRXIE-RBSFLKMASA-N 0 0 393.396 -1.451 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895214 1075062676 /nfs/dbraw/zinc/06/26/76/1075062676.db2.gz KXAFTAZKHLRXIE-RRFJBIMHSA-N 0 0 393.396 -1.451 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895216 1075062743 /nfs/dbraw/zinc/06/27/43/1075062743.db2.gz KXAFTAZKHLRXIE-SOUVJXGZSA-N 0 0 393.396 -1.451 20 0 GAADRN O=C(C(=O)N1CCc2nnc(Cn3cccc3)n2CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895284 1075063011 /nfs/dbraw/zinc/06/30/11/1075063011.db2.gz LMPCMKLHSULELV-BYCMXARLSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2nnc(Cn3cccc3)n2CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895285 1075062991 /nfs/dbraw/zinc/06/29/91/1075062991.db2.gz LMPCMKLHSULELV-KCPJHIHWSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2nnc(Cn3cccc3)n2CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895286 1075063042 /nfs/dbraw/zinc/06/30/42/1075063042.db2.gz LMPCMKLHSULELV-NILFDRSVSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2nnc(Cn3cccc3)n2CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895287 1075063037 /nfs/dbraw/zinc/06/30/37/1075063037.db2.gz LMPCMKLHSULELV-TUKIKUTGSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895350 1075063025 /nfs/dbraw/zinc/06/30/25/1075063025.db2.gz LUSAYVZRMOCKMQ-GHURVABWSA-N 0 0 382.369 -2.469 20 0 GAADRN O=C(C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895353 1075063031 /nfs/dbraw/zinc/06/30/31/1075063031.db2.gz LUSAYVZRMOCKMQ-KKWKDLRVSA-N 0 0 382.369 -2.469 20 0 GAADRN O=C(C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895356 1075063014 /nfs/dbraw/zinc/06/30/14/1075063014.db2.gz LUSAYVZRMOCKMQ-WDWAPYHSSA-N 0 0 382.369 -2.469 20 0 GAADRN O=C(C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895358 1075063040 /nfs/dbraw/zinc/06/30/40/1075063040.db2.gz LUSAYVZRMOCKMQ-WJUNJWMZSA-N 0 0 382.369 -2.469 20 0 GAADRN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895554 1075063022 /nfs/dbraw/zinc/06/30/22/1075063022.db2.gz VISNNIOXFRZDIE-JIMOISOXSA-N 0 0 388.808 -2.141 20 0 GAADRN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895558 1075063029 /nfs/dbraw/zinc/06/30/29/1075063029.db2.gz VISNNIOXFRZDIE-OASPWFOLSA-N 0 0 388.808 -2.141 20 0 GAADRN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895560 1075063008 /nfs/dbraw/zinc/06/30/08/1075063008.db2.gz VISNNIOXFRZDIE-TVYUQYBPSA-N 0 0 388.808 -2.141 20 0 GAADRN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895562 1075063004 /nfs/dbraw/zinc/06/30/04/1075063004.db2.gz VISNNIOXFRZDIE-ZWKOPEQDSA-N 0 0 388.808 -2.141 20 0 GAADRN O=C(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1cccc(Br)c1 ZINC001144895569 1075062995 /nfs/dbraw/zinc/06/29/95/1075062995.db2.gz VKERHIGMVGLTMI-GRYCIOLGSA-N 0 0 390.186 -1.608 20 0 GAADRN O=C(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1cccc(Br)c1 ZINC001144895570 1075063020 /nfs/dbraw/zinc/06/30/20/1075063020.db2.gz VKERHIGMVGLTMI-IJLUTSLNSA-N 0 0 390.186 -1.608 20 0 GAADRN O=C(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1cccc(Br)c1 ZINC001144895571 1075062999 /nfs/dbraw/zinc/06/29/99/1075062999.db2.gz VKERHIGMVGLTMI-QJPTWQEYSA-N 0 0 390.186 -1.608 20 0 GAADRN O=C(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1cccc(Br)c1 ZINC001144895572 1075063001 /nfs/dbraw/zinc/06/30/01/1075063001.db2.gz VKERHIGMVGLTMI-SDDRHHMPSA-N 0 0 390.186 -1.608 20 0 GAADRN COc1cccc(Cn2nccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1 ZINC001144895625 1075063034 /nfs/dbraw/zinc/06/30/34/1075063034.db2.gz WAHIJOYGXBRMIJ-AEGPPILISA-N 0 0 379.369 -1.477 20 0 GAADRN COc1cccc(Cn2nccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1 ZINC001144895626 1075063017 /nfs/dbraw/zinc/06/30/17/1075063017.db2.gz WAHIJOYGXBRMIJ-BPLDGKMQSA-N 0 0 379.369 -1.477 20 0 GAADRN COc1cccc(Cn2nccc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1 ZINC001144895627 1075063002 /nfs/dbraw/zinc/06/30/02/1075063002.db2.gz WAHIJOYGXBRMIJ-NWANDNLSSA-N 0 0 379.369 -1.477 20 0 GAADRN COc1cccc(Cn2nccc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1 ZINC001144895628 1075063006 /nfs/dbraw/zinc/06/30/06/1075063006.db2.gz WAHIJOYGXBRMIJ-VHDGCEQUSA-N 0 0 379.369 -1.477 20 0 GAADRN COc1ccc(Br)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895637 1075063276 /nfs/dbraw/zinc/06/32/76/1075063276.db2.gz WFSGQOPJILZNOO-HFHMMWAZSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895638 1075063253 /nfs/dbraw/zinc/06/32/53/1075063253.db2.gz WFSGQOPJILZNOO-JISRMSBWSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)nc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895639 1075063231 /nfs/dbraw/zinc/06/32/31/1075063231.db2.gz WFSGQOPJILZNOO-LQQYEPNUSA-N 0 0 379.163 -1.565 20 0 GAADRN COc1ccc(Br)nc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895640 1075063243 /nfs/dbraw/zinc/06/32/43/1075063243.db2.gz WFSGQOPJILZNOO-WLGLDCGKSA-N 0 0 379.163 -1.565 20 0 GAADRN O=C(C(=O)N1CCC2(CCCN2c2ncccn2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895684 1075063267 /nfs/dbraw/zinc/06/32/67/1075063267.db2.gz NLIPCZVKKXVBAH-BFHYXJOUSA-N 0 0 394.428 -1.918 20 0 GAADRN O=C(C(=O)N1CCC2(CCCN2c2ncccn2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895685 1075063248 /nfs/dbraw/zinc/06/32/48/1075063248.db2.gz NLIPCZVKKXVBAH-HZSPNIEDSA-N 0 0 394.428 -1.918 20 0 GAADRN O=C(C(=O)N1CCC2(CCCN2c2ncccn2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895686 1075063272 /nfs/dbraw/zinc/06/32/72/1075063272.db2.gz NLIPCZVKKXVBAH-MELADBBJSA-N 0 0 394.428 -1.918 20 0 GAADRN O=C(C(=O)N1CCC2(CCCN2c2ncccn2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895687 1075063292 /nfs/dbraw/zinc/06/32/92/1075063292.db2.gz NLIPCZVKKXVBAH-MGPQQGTHSA-N 0 0 394.428 -1.918 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895728 1075063289 /nfs/dbraw/zinc/06/32/89/1075063289.db2.gz NXTPLWYIFKKSDR-FUVSOYRFSA-N 0 0 384.410 -1.902 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895729 1075063282 /nfs/dbraw/zinc/06/32/82/1075063282.db2.gz NXTPLWYIFKKSDR-GGFUIZRSSA-N 0 0 384.410 -1.902 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895730 1075063271 /nfs/dbraw/zinc/06/32/71/1075063271.db2.gz NXTPLWYIFKKSDR-GGRQXOBESA-N 0 0 384.410 -1.902 20 0 GAADRN O=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895731 1075063262 /nfs/dbraw/zinc/06/32/62/1075063262.db2.gz NXTPLWYIFKKSDR-QPKSUZNQSA-N 0 0 384.410 -1.902 20 0 GAADRN CCOC(=O)c1cnn2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc12 ZINC001144895767 1075063294 /nfs/dbraw/zinc/06/32/94/1075063294.db2.gz WVPRQPJIBVSIQM-FRRDWIJNSA-N 0 0 381.341 -1.906 20 0 GAADRN CCOC(=O)c1cnn2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc12 ZINC001144895768 1075063259 /nfs/dbraw/zinc/06/32/59/1075063259.db2.gz WVPRQPJIBVSIQM-JHJVBQTASA-N 0 0 381.341 -1.906 20 0 GAADRN CCOC(=O)c1cnn2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc12 ZINC001144895769 1075063234 /nfs/dbraw/zinc/06/32/34/1075063234.db2.gz WVPRQPJIBVSIQM-RWMBFGLXSA-N 0 0 381.341 -1.906 20 0 GAADRN CCOC(=O)c1cnn2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc12 ZINC001144895770 1075063298 /nfs/dbraw/zinc/06/32/98/1075063298.db2.gz WVPRQPJIBVSIQM-YNEHKIRRSA-N 0 0 381.341 -1.906 20 0 GAADRN COC(=O)c1cccc2nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)sc21 ZINC001144895787 1075063224 /nfs/dbraw/zinc/06/32/24/1075063224.db2.gz XCYJSTCQDJSXAV-IVZWLZJFSA-N 0 0 384.366 -1.335 20 0 GAADRN COC(=O)c1cccc2nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)sc21 ZINC001144895788 1075063280 /nfs/dbraw/zinc/06/32/80/1075063280.db2.gz XCYJSTCQDJSXAV-KXUCPTDWSA-N 0 0 384.366 -1.335 20 0 GAADRN COC(=O)c1cccc2nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)sc21 ZINC001144895789 1075063285 /nfs/dbraw/zinc/06/32/85/1075063285.db2.gz XCYJSTCQDJSXAV-LPEHRKFASA-N 0 0 384.366 -1.335 20 0 GAADRN COC(=O)c1cccc2nc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)sc21 ZINC001144895790 1075063256 /nfs/dbraw/zinc/06/32/56/1075063256.db2.gz XCYJSTCQDJSXAV-OPRDCNLKSA-N 0 0 384.366 -1.335 20 0 GAADRN Cc1ccc(N2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]32)nn1 ZINC001144895876 1075063459 /nfs/dbraw/zinc/06/34/59/1075063459.db2.gz OMWYRGCDVZRAJJ-CYHVGBIXSA-N 0 0 396.400 -3.155 20 0 GAADRN Cc1ccc(N2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]32)nn1 ZINC001144895877 1075063497 /nfs/dbraw/zinc/06/34/97/1075063497.db2.gz OMWYRGCDVZRAJJ-FUQNVFFISA-N 0 0 396.400 -3.155 20 0 GAADRN Cc1ccc(N2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]32)nn1 ZINC001144895878 1075063443 /nfs/dbraw/zinc/06/34/43/1075063443.db2.gz OMWYRGCDVZRAJJ-GGUBGCTKSA-N 0 0 396.400 -3.155 20 0 GAADRN Cc1ccc(N2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]32)nn1 ZINC001144895879 1075063438 /nfs/dbraw/zinc/06/34/38/1075063438.db2.gz OMWYRGCDVZRAJJ-RKEKIRQTSA-N 0 0 396.400 -3.155 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)CN1Cc1ccccc1 ZINC001144896088 1075063405 /nfs/dbraw/zinc/06/34/05/1075063405.db2.gz YOBXTYJLIJYBIW-IMPMIVQMSA-N 0 0 380.441 -1.248 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C)CN1Cc1ccccc1 ZINC001144896089 1075063418 /nfs/dbraw/zinc/06/34/18/1075063418.db2.gz YOBXTYJLIJYBIW-NOYHWAJDSA-N 0 0 380.441 -1.248 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C)CN1Cc1ccccc1 ZINC001144896090 1075063512 /nfs/dbraw/zinc/06/35/12/1075063512.db2.gz YOBXTYJLIJYBIW-PEHHYFEISA-N 0 0 380.441 -1.248 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C)CN1Cc1ccccc1 ZINC001144896091 1075063428 /nfs/dbraw/zinc/06/34/28/1075063428.db2.gz YOBXTYJLIJYBIW-PNDGYWDASA-N 0 0 380.441 -1.248 20 0 GAADRN COC[C@@H]1COCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144896188 1075063768 /nfs/dbraw/zinc/06/37/68/1075063768.db2.gz QFFBUHBUKCFOIN-AAVRWANBSA-N 0 0 375.418 -2.078 20 0 GAADRN COC[C@@H]1COCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144896189 1075063783 /nfs/dbraw/zinc/06/37/83/1075063783.db2.gz QFFBUHBUKCFOIN-XJFOESAGSA-N 0 0 375.418 -2.078 20 0 GAADRN COC[C@@H]1COCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144896190 1075063780 /nfs/dbraw/zinc/06/37/80/1075063780.db2.gz QFFBUHBUKCFOIN-YIYPIFLZSA-N 0 0 375.418 -2.078 20 0 GAADRN COC[C@@H]1COCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144896191 1075063774 /nfs/dbraw/zinc/06/37/74/1075063774.db2.gz QFFBUHBUKCFOIN-ZOBORPQBSA-N 0 0 375.418 -2.078 20 0 GAADRN O=C(C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896218 1075063739 /nfs/dbraw/zinc/06/37/39/1075063739.db2.gz QJYQQLZZVYDJCQ-LFTMDZKFSA-N 0 0 396.396 -2.532 20 0 GAADRN O=C(C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896234 1075063750 /nfs/dbraw/zinc/06/37/50/1075063750.db2.gz QJYQQLZZVYDJCQ-NHOPFSRNSA-N 0 0 396.396 -2.532 20 0 GAADRN O=C(C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896235 1075063732 /nfs/dbraw/zinc/06/37/32/1075063732.db2.gz QJYQQLZZVYDJCQ-VIAGDVCTSA-N 0 0 396.396 -2.532 20 0 GAADRN O=C(C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896236 1075063785 /nfs/dbraw/zinc/06/37/85/1075063785.db2.gz QJYQQLZZVYDJCQ-XBORSJSESA-N 0 0 396.396 -2.532 20 0 GAADRN O=C(C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896323 1075063799 /nfs/dbraw/zinc/06/37/99/1075063799.db2.gz QQTQFVNBHGZNKK-CTHBEMJXSA-N 0 0 393.400 -2.618 20 0 GAADRN O=C(C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896334 1075063754 /nfs/dbraw/zinc/06/37/54/1075063754.db2.gz QQTQFVNBHGZNKK-DDHJSBNISA-N 0 0 393.400 -2.618 20 0 GAADRN O=C(C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896335 1075063803 /nfs/dbraw/zinc/06/38/03/1075063803.db2.gz QQTQFVNBHGZNKK-MYZSUADSSA-N 0 0 393.400 -2.618 20 0 GAADRN O=C(C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896337 1075063763 /nfs/dbraw/zinc/06/37/63/1075063763.db2.gz QQTQFVNBHGZNKK-NZBPQXDJSA-N 0 0 393.400 -2.618 20 0 GAADRN O=C(C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896344 1075063759 /nfs/dbraw/zinc/06/37/59/1075063759.db2.gz QRISJPCWMVVTIX-DWJZYCCASA-N 0 0 396.396 -2.136 20 0 GAADRN O=C(C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896348 1075063745 /nfs/dbraw/zinc/06/37/45/1075063745.db2.gz QRISJPCWMVVTIX-NSIVTLKISA-N 0 0 396.396 -2.136 20 0 GAADRN O=C(C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896351 1075063791 /nfs/dbraw/zinc/06/37/91/1075063791.db2.gz QRISJPCWMVVTIX-VAVSNJLASA-N 0 0 396.396 -2.136 20 0 GAADRN O=C(C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896353 1075063795 /nfs/dbraw/zinc/06/37/95/1075063795.db2.gz QRISJPCWMVVTIX-VTWRMFPLSA-N 0 0 396.396 -2.136 20 0 GAADRN O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896406 1075064011 /nfs/dbraw/zinc/06/40/11/1075064011.db2.gz ZZCLMRGZNDOQQG-JIMOISOXSA-N 0 0 389.792 -1.846 20 0 GAADRN O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896407 1075064009 /nfs/dbraw/zinc/06/40/09/1075064009.db2.gz ZZCLMRGZNDOQQG-OASPWFOLSA-N 0 0 389.792 -1.846 20 0 GAADRN O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896408 1075064023 /nfs/dbraw/zinc/06/40/23/1075064023.db2.gz ZZCLMRGZNDOQQG-TVYUQYBPSA-N 0 0 389.792 -1.846 20 0 GAADRN O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896409 1075064024 /nfs/dbraw/zinc/06/40/24/1075064024.db2.gz ZZCLMRGZNDOQQG-ZWKOPEQDSA-N 0 0 389.792 -1.846 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3cccn3)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896426 1075064003 /nfs/dbraw/zinc/06/40/03/1075064003.db2.gz QXBYOHQSXVVJIV-FPMFFAJLSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3cccn3)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896427 1075064012 /nfs/dbraw/zinc/06/40/12/1075064012.db2.gz QXBYOHQSXVVJIV-IACUBPJLSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3cccn3)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896428 1075063997 /nfs/dbraw/zinc/06/39/97/1075063997.db2.gz QXBYOHQSXVVJIV-KWCYVHTRSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1CCc2onc(Cn3cccn3)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896429 1075064004 /nfs/dbraw/zinc/06/40/04/1075064004.db2.gz QXBYOHQSXVVJIV-MRVWCRGKSA-N 0 0 380.357 -2.552 20 0 GAADRN O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896630 1075063989 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/nfs/dbraw/zinc/06/42/02/1075064202.db2.gz UNWFYICEBBJUSP-FVQBIDKESA-N 0 0 396.444 -2.492 20 0 GAADRN O=C(C(=O)N1CCc2ncc(CN3CCCC3)n2CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896856 1075064233 /nfs/dbraw/zinc/06/42/33/1075064233.db2.gz UNWFYICEBBJUSP-NUEKZKHPSA-N 0 0 396.444 -2.492 20 0 GAADRN O=C(C(=O)N1CCc2ncc(CN3CCCC3)n2CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896857 1075064255 /nfs/dbraw/zinc/06/42/55/1075064255.db2.gz UNWFYICEBBJUSP-VNQPRFMTSA-N 0 0 396.444 -2.492 20 0 GAADRN CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144896862 1075064217 /nfs/dbraw/zinc/06/42/17/1075064217.db2.gz UQJGAMNWVOSGQY-ARFHVFGLSA-N 0 0 398.460 -1.946 20 0 GAADRN CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144896863 1075064222 /nfs/dbraw/zinc/06/42/22/1075064222.db2.gz UQJGAMNWVOSGQY-BZUAXINKSA-N 0 0 398.460 -1.946 20 0 GAADRN CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144896864 1075064241 /nfs/dbraw/zinc/06/42/41/1075064241.db2.gz UQJGAMNWVOSGQY-HRCADAONSA-N 0 0 398.460 -1.946 20 0 GAADRN CC(C)n1nc(CN(C)C)c2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144896865 1075064250 /nfs/dbraw/zinc/06/42/50/1075064250.db2.gz UQJGAMNWVOSGQY-OWCLPIDISA-N 0 0 398.460 -1.946 20 0 GAADRN O=C(C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896902 1075064228 /nfs/dbraw/zinc/06/42/28/1075064228.db2.gz VBVAHZFPYNJPLC-FIAIHSGVSA-N 0 0 394.424 -1.267 20 0 GAADRN O=C(C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896905 1075064174 /nfs/dbraw/zinc/06/41/74/1075064174.db2.gz VBVAHZFPYNJPLC-TTYHPKGYSA-N 0 0 394.424 -1.267 20 0 GAADRN O=C(C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896906 1075064282 /nfs/dbraw/zinc/06/42/82/1075064282.db2.gz VBVAHZFPYNJPLC-VRQAJEBUSA-N 0 0 394.424 -1.267 20 0 GAADRN O=C(C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896910 1075064244 /nfs/dbraw/zinc/06/42/44/1075064244.db2.gz VBVAHZFPYNJPLC-WHSMGEGSSA-N 0 0 394.424 -1.267 20 0 GAADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144897052 1075064271 /nfs/dbraw/zinc/06/42/71/1075064271.db2.gz VKNOFGPZUSMHLT-DDTOSNHZSA-N 0 0 399.404 -3.367 20 0 GAADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144897053 1075064194 /nfs/dbraw/zinc/06/41/94/1075064194.db2.gz VKNOFGPZUSMHLT-LERXQTSPSA-N 0 0 399.404 -3.367 20 0 GAADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144897054 1075064196 /nfs/dbraw/zinc/06/41/96/1075064196.db2.gz VKNOFGPZUSMHLT-LEWSCRJBSA-N 0 0 399.404 -3.367 20 0 GAADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144897055 1075064187 /nfs/dbraw/zinc/06/41/87/1075064187.db2.gz VKNOFGPZUSMHLT-ZLKJLUDKSA-N 0 0 399.404 -3.367 20 0 GAADRN Cn1cc(N2C[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]3C2=O)cn1 ZINC001144897060 1075064278 /nfs/dbraw/zinc/06/42/78/1075064278.db2.gz VMPVEPRIUCZBDY-AHRFKUBPSA-N 0 0 382.373 -3.515 20 0 GAADRN Cn1cc(N2C[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]3C2=O)cn1 ZINC001144897061 1075064179 /nfs/dbraw/zinc/06/41/79/1075064179.db2.gz VMPVEPRIUCZBDY-BQSNPHCVSA-N 0 0 382.373 -3.515 20 0 GAADRN Cn1cc(N2C[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]3C2=O)cn1 ZINC001144897062 1075064210 /nfs/dbraw/zinc/06/42/10/1075064210.db2.gz VMPVEPRIUCZBDY-DUIQVVMOSA-N 0 0 382.373 -3.515 20 0 GAADRN Cn1cc(N2C[C@@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]3C2=O)cn1 ZINC001144897063 1075064184 /nfs/dbraw/zinc/06/41/84/1075064184.db2.gz VMPVEPRIUCZBDY-KHAFSYESSA-N 0 0 382.373 -3.515 20 0 GAADRN CC(C)Oc1ncnc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144897064 1075064523 /nfs/dbraw/zinc/06/45/23/1075064523.db2.gz VMSSKPCJSQQXDG-BFHYXJOUSA-N 0 0 383.401 -2.165 20 0 GAADRN CC(C)Oc1ncnc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144897065 1075064548 /nfs/dbraw/zinc/06/45/48/1075064548.db2.gz VMSSKPCJSQQXDG-HZSPNIEDSA-N 0 0 383.401 -2.165 20 0 GAADRN CC(C)Oc1ncnc2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144897066 1075064510 /nfs/dbraw/zinc/06/45/10/1075064510.db2.gz VMSSKPCJSQQXDG-MELADBBJSA-N 0 0 383.401 -2.165 20 0 GAADRN CC(C)Oc1ncnc2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144897067 1075064573 /nfs/dbraw/zinc/06/45/73/1075064573.db2.gz VMSSKPCJSQQXDG-MGPQQGTHSA-N 0 0 383.401 -2.165 20 0 GAADRN CCc1nccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897156 1075064556 /nfs/dbraw/zinc/06/45/56/1075064556.db2.gz WZERWWDNVPFSKW-DDTOSNHZSA-N 0 0 394.384 -1.579 20 0 GAADRN CCc1nccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897157 1075064495 /nfs/dbraw/zinc/06/44/95/1075064495.db2.gz WZERWWDNVPFSKW-LERXQTSPSA-N 0 0 394.384 -1.579 20 0 GAADRN CCc1nccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897158 1075064474 /nfs/dbraw/zinc/06/44/74/1075064474.db2.gz WZERWWDNVPFSKW-LEWSCRJBSA-N 0 0 394.384 -1.579 20 0 GAADRN CCc1nccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897159 1075064483 /nfs/dbraw/zinc/06/44/83/1075064483.db2.gz WZERWWDNVPFSKW-ZLKJLUDKSA-N 0 0 394.384 -1.579 20 0 GAADRN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001144897196 1075064526 /nfs/dbraw/zinc/06/45/26/1075064526.db2.gz XJQXMEHTRNHISJ-BUCHIQEDSA-N 0 0 388.417 -3.028 20 0 GAADRN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001144897197 1075064492 /nfs/dbraw/zinc/06/44/92/1075064492.db2.gz XJQXMEHTRNHISJ-FAYOZSNISA-N 0 0 388.417 -3.028 20 0 GAADRN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001144897198 1075064506 /nfs/dbraw/zinc/06/45/06/1075064506.db2.gz XJQXMEHTRNHISJ-IKKURHKOSA-N 0 0 388.417 -3.028 20 0 GAADRN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]21 ZINC001144897199 1075064567 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/nfs/dbraw/zinc/06/46/87/1075064687.db2.gz YGQHSPSNNQHDAO-PMOUVXMZSA-N 0 0 397.428 -2.071 20 0 GAADRN Cn1cc([C@@H]2COC3(C2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC3)cn1 ZINC001144897282 1075064724 /nfs/dbraw/zinc/06/47/24/1075064724.db2.gz YGQHSPSNNQHDAO-SPWCGHHHSA-N 0 0 397.428 -2.071 20 0 GAADRN Cn1cc([C@@H]2COC3(C2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)cn1 ZINC001144897283 1075064696 /nfs/dbraw/zinc/06/46/96/1075064696.db2.gz YGQHSPSNNQHDAO-ZGKBOVNRSA-N 0 0 397.428 -2.071 20 0 GAADRN O=C(C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897356 1075064762 /nfs/dbraw/zinc/06/47/62/1075064762.db2.gz ZGIGJMIYBMXQTK-CXKHLATESA-N 0 0 396.396 -2.137 20 0 GAADRN O=C(C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897357 1075064701 /nfs/dbraw/zinc/06/47/01/1075064701.db2.gz ZGIGJMIYBMXQTK-HPEALNBZSA-N 0 0 396.396 -2.137 20 0 GAADRN O=C(C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897358 1075064711 /nfs/dbraw/zinc/06/47/11/1075064711.db2.gz ZGIGJMIYBMXQTK-RPCDLPGOSA-N 0 0 396.396 -2.137 20 0 GAADRN O=C(C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897359 1075064742 /nfs/dbraw/zinc/06/47/42/1075064742.db2.gz ZGIGJMIYBMXQTK-YDVRFCCISA-N 0 0 396.396 -2.137 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897376 1075064733 /nfs/dbraw/zinc/06/47/33/1075064733.db2.gz ZNOJTJBCPLIQCA-DXIVLCDLSA-N 0 0 384.429 -2.216 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897377 1075064706 /nfs/dbraw/zinc/06/47/06/1075064706.db2.gz ZNOJTJBCPLIQCA-JMDLWMOSSA-N 0 0 384.429 -2.216 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897378 1075064753 /nfs/dbraw/zinc/06/47/53/1075064753.db2.gz ZNOJTJBCPLIQCA-MJMJJYSYSA-N 0 0 384.429 -2.216 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897379 1075064715 /nfs/dbraw/zinc/06/47/15/1075064715.db2.gz ZNOJTJBCPLIQCA-UBHGWVTLSA-N 0 0 384.429 -2.216 20 0 GAADRN O=C(C(=O)N1CCc2ncc(Cn3cccn3)n2CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897396 1075064746 /nfs/dbraw/zinc/06/47/46/1075064746.db2.gz ZURAHSQFCKVYOI-AEGPPILISA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2ncc(Cn3cccn3)n2CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897397 1075064765 /nfs/dbraw/zinc/06/47/65/1075064765.db2.gz ZURAHSQFCKVYOI-BPLDGKMQSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2ncc(Cn3cccn3)n2CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897398 1075064738 /nfs/dbraw/zinc/06/47/38/1075064738.db2.gz ZURAHSQFCKVYOI-NWANDNLSSA-N 0 0 393.400 -2.843 20 0 GAADRN O=C(C(=O)N1CCc2ncc(Cn3cccn3)n2CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897399 1075064718 /nfs/dbraw/zinc/06/47/18/1075064718.db2.gz ZURAHSQFCKVYOI-VHDGCEQUSA-N 0 0 393.400 -2.843 20 0 GAADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897400 1075064997 /nfs/dbraw/zinc/06/49/97/1075064997.db2.gz ZUUYNHXOWWQGON-AQNFWKISSA-N 0 0 397.428 -1.643 20 0 GAADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897401 1075065030 /nfs/dbraw/zinc/06/50/30/1075065030.db2.gz ZUUYNHXOWWQGON-JUDXGUMMSA-N 0 0 397.428 -1.643 20 0 GAADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897402 1075065031 /nfs/dbraw/zinc/06/50/31/1075065031.db2.gz ZUUYNHXOWWQGON-QPKOPYBWSA-N 0 0 397.428 -1.643 20 0 GAADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897403 1075064992 /nfs/dbraw/zinc/06/49/92/1075064992.db2.gz ZUUYNHXOWWQGON-SDJAHQOYSA-N 0 0 397.428 -1.643 20 0 GAADRN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144897420 1075065000 /nfs/dbraw/zinc/06/50/00/1075065000.db2.gz ZZHKPNUIZRRADO-QLFBSQMISA-N 0 0 384.433 -2.221 20 0 GAADRN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144897421 1075065050 /nfs/dbraw/zinc/06/50/50/1075065050.db2.gz ZZHKPNUIZRRADO-RBSFLKMASA-N 0 0 384.433 -2.221 20 0 GAADRN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144897422 1075065079 /nfs/dbraw/zinc/06/50/79/1075065079.db2.gz ZZHKPNUIZRRADO-RRFJBIMHSA-N 0 0 384.433 -2.221 20 0 GAADRN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144897423 1075064941 /nfs/dbraw/zinc/06/49/41/1075064941.db2.gz ZZHKPNUIZRRADO-SOUVJXGZSA-N 0 0 384.433 -2.221 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898426 1075065025 /nfs/dbraw/zinc/06/50/25/1075065025.db2.gz ALXUTVUFWAFNSY-GRYCIOLGSA-N 0 0 395.368 -1.895 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898439 1075065073 /nfs/dbraw/zinc/06/50/73/1075065073.db2.gz ALXUTVUFWAFNSY-IJLUTSLNSA-N 0 0 395.368 -1.895 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898440 1075065020 /nfs/dbraw/zinc/06/50/20/1075065020.db2.gz ALXUTVUFWAFNSY-QJPTWQEYSA-N 0 0 395.368 -1.895 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898441 1075065014 /nfs/dbraw/zinc/06/50/14/1075065014.db2.gz ALXUTVUFWAFNSY-SDDRHHMPSA-N 0 0 395.368 -1.895 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898508 1075065359 /nfs/dbraw/zinc/06/53/59/1075065359.db2.gz AZOUPEVDPDACLN-QLFBSQMISA-N 0 0 386.832 -1.372 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898509 1075065349 /nfs/dbraw/zinc/06/53/49/1075065349.db2.gz AZOUPEVDPDACLN-RBSFLKMASA-N 0 0 386.832 -1.372 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898510 1075065292 /nfs/dbraw/zinc/06/52/92/1075065292.db2.gz AZOUPEVDPDACLN-RRFJBIMHSA-N 0 0 386.832 -1.372 20 0 GAADRN O=C(C(=O)N1CCN(Cc2ccccc2Cl)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898511 1075065343 /nfs/dbraw/zinc/06/53/43/1075065343.db2.gz AZOUPEVDPDACLN-SOUVJXGZSA-N 0 0 386.832 -1.372 20 0 GAADRN O=C(C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898516 1075065286 /nfs/dbraw/zinc/06/52/86/1075065286.db2.gz BBJCFZQACCDDFR-BFHYXJOUSA-N 0 0 384.429 -2.118 20 0 GAADRN O=C(C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898517 1075065299 /nfs/dbraw/zinc/06/52/99/1075065299.db2.gz BBJCFZQACCDDFR-HZSPNIEDSA-N 0 0 384.429 -2.118 20 0 GAADRN O=C(C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898518 1075065377 /nfs/dbraw/zinc/06/53/77/1075065377.db2.gz BBJCFZQACCDDFR-MELADBBJSA-N 0 0 384.429 -2.118 20 0 GAADRN O=C(C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898519 1075065364 /nfs/dbraw/zinc/06/53/64/1075065364.db2.gz BBJCFZQACCDDFR-MGPQQGTHSA-N 0 0 384.429 -2.118 20 0 GAADRN O=C(C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898688 1075065312 /nfs/dbraw/zinc/06/53/12/1075065312.db2.gz BSPFYNKGBDBKGU-BHYGNILZSA-N 0 0 392.408 -1.789 20 0 GAADRN O=C(C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898689 1075065369 /nfs/dbraw/zinc/06/53/69/1075065369.db2.gz BSPFYNKGBDBKGU-DJIMGWMZSA-N 0 0 392.408 -1.789 20 0 GAADRN O=C(C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898690 1075065354 /nfs/dbraw/zinc/06/53/54/1075065354.db2.gz BSPFYNKGBDBKGU-HYVNUMGLSA-N 0 0 392.408 -1.789 20 0 GAADRN O=C(C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898691 1075065304 /nfs/dbraw/zinc/06/53/04/1075065304.db2.gz BSPFYNKGBDBKGU-USXIJHARSA-N 0 0 392.408 -1.789 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898900 1075065372 /nfs/dbraw/zinc/06/53/72/1075065372.db2.gz DERGWEUSLLMODO-AEGPPILISA-N 0 0 394.380 -1.598 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898901 1075065317 /nfs/dbraw/zinc/06/53/17/1075065317.db2.gz DERGWEUSLLMODO-BPLDGKMQSA-N 0 0 394.380 -1.598 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898902 1075065331 /nfs/dbraw/zinc/06/53/31/1075065331.db2.gz DERGWEUSLLMODO-NWANDNLSSA-N 0 0 394.380 -1.598 20 0 GAADRN O=C(C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898903 1075065308 /nfs/dbraw/zinc/06/53/08/1075065308.db2.gz DERGWEUSLLMODO-VHDGCEQUSA-N 0 0 394.380 -1.598 20 0 GAADRN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144898904 1075065336 /nfs/dbraw/zinc/06/53/36/1075065336.db2.gz DESJUIZGMAOTRE-BYCMXARLSA-N 0 0 399.448 -2.505 20 0 GAADRN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144898905 1075065355 /nfs/dbraw/zinc/06/53/55/1075065355.db2.gz DESJUIZGMAOTRE-KCPJHIHWSA-N 0 0 399.448 -2.505 20 0 GAADRN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144898906 1075065324 /nfs/dbraw/zinc/06/53/24/1075065324.db2.gz DESJUIZGMAOTRE-NILFDRSVSA-N 0 0 399.448 -2.505 20 0 GAADRN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144898907 1075065381 /nfs/dbraw/zinc/06/53/81/1075065381.db2.gz DESJUIZGMAOTRE-TUKIKUTGSA-N 0 0 399.448 -2.505 20 0 GAADRN O=C(C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898920 1075065538 /nfs/dbraw/zinc/06/55/38/1075065538.db2.gz DKCLKLKHYPRLNO-JIMOISOXSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898921 1075065505 /nfs/dbraw/zinc/06/55/05/1075065505.db2.gz DKCLKLKHYPRLNO-OASPWFOLSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898922 1075065456 /nfs/dbraw/zinc/06/54/56/1075065456.db2.gz DKCLKLKHYPRLNO-TVYUQYBPSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898923 1075065521 /nfs/dbraw/zinc/06/55/21/1075065521.db2.gz DKCLKLKHYPRLNO-ZWKOPEQDSA-N 0 0 389.792 -1.856 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]1c1ccc(F)cc1 ZINC001144898980 1075065543 /nfs/dbraw/zinc/06/55/43/1075065543.db2.gz DLNYESUJDMJRRP-CAEXGNQWSA-N 0 0 399.371 -1.815 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]1c1ccc(F)cc1 ZINC001144898981 1075065548 /nfs/dbraw/zinc/06/55/48/1075065548.db2.gz DLNYESUJDMJRRP-GZBLMMOJSA-N 0 0 399.371 -1.815 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]1c1ccc(F)cc1 ZINC001144898982 1075065454 /nfs/dbraw/zinc/06/54/54/1075065454.db2.gz DLNYESUJDMJRRP-QKGCVVFFSA-N 0 0 399.371 -1.815 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1c1ccc(F)cc1 ZINC001144898983 1075065469 /nfs/dbraw/zinc/06/54/69/1075065469.db2.gz DLNYESUJDMJRRP-XLWJZTARSA-N 0 0 399.371 -1.815 20 0 GAADRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144899008 1075065482 /nfs/dbraw/zinc/06/54/82/1075065482.db2.gz DSJOTOQTEIPWJG-AATLWQCWSA-N 0 0 395.386 -4.181 20 0 GAADRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144899009 1075065461 /nfs/dbraw/zinc/06/54/61/1075065461.db2.gz DSJOTOQTEIPWJG-AXTSPUMRSA-N 0 0 395.386 -4.181 20 0 GAADRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144899010 1075065527 /nfs/dbraw/zinc/06/55/27/1075065527.db2.gz DSJOTOQTEIPWJG-QCLAVDOMSA-N 0 0 395.386 -4.181 20 0 GAADRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144899011 1075065465 /nfs/dbraw/zinc/06/54/65/1075065465.db2.gz DSJOTOQTEIPWJG-SGIHWFKDSA-N 0 0 395.386 -4.181 20 0 GAADRN O=C(C(=O)N(Cc1cccnc1)Cc1ccccn1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899012 1075065488 /nfs/dbraw/zinc/06/54/88/1075065488.db2.gz DSSVDHUCPYKLNO-ARFHVFGLSA-N 0 0 375.381 -1.351 20 0 GAADRN O=C(C(=O)N(Cc1cccnc1)Cc1ccccn1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899013 1075065500 /nfs/dbraw/zinc/06/55/00/1075065500.db2.gz DSSVDHUCPYKLNO-BZUAXINKSA-N 0 0 375.381 -1.351 20 0 GAADRN O=C(C(=O)N(Cc1cccnc1)Cc1ccccn1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899014 1075065515 /nfs/dbraw/zinc/06/55/15/1075065515.db2.gz DSSVDHUCPYKLNO-HRCADAONSA-N 0 0 375.381 -1.351 20 0 GAADRN O=C(C(=O)N(Cc1cccnc1)Cc1ccccn1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899015 1075065510 /nfs/dbraw/zinc/06/55/10/1075065510.db2.gz DSSVDHUCPYKLNO-OWCLPIDISA-N 0 0 375.381 -1.351 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001144899036 1075065479 /nfs/dbraw/zinc/06/54/79/1075065479.db2.gz DYJVGMDHKHJZNZ-IEECTRCBSA-N 0 0 390.433 -1.513 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001144899037 1075065532 /nfs/dbraw/zinc/06/55/32/1075065532.db2.gz DYJVGMDHKHJZNZ-JZRPKSSGSA-N 0 0 390.433 -1.513 20 0 GAADRN 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1075066345 /nfs/dbraw/zinc/06/63/45/1075066345.db2.gz IKVQHGOMKXCGSB-VSSNEEPJSA-N 0 0 394.396 -1.906 20 0 GAADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCO1 ZINC001144899328 1075066258 /nfs/dbraw/zinc/06/62/58/1075066258.db2.gz JDLPDLVQUPFZBT-FIQHERPVSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001144899329 1075066236 /nfs/dbraw/zinc/06/62/36/1075066236.db2.gz JDLPDLVQUPFZBT-IRCOFANPSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCO1 ZINC001144899330 1075066279 /nfs/dbraw/zinc/06/62/79/1075066279.db2.gz JDLPDLVQUPFZBT-NNYUYHANSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCO1 ZINC001144899331 1075066307 /nfs/dbraw/zinc/06/63/07/1075066307.db2.gz JDLPDLVQUPFZBT-WHOHXGKFSA-N 0 0 392.405 -2.617 20 0 GAADRN O=C(C(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899384 1075066330 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/nfs/dbraw/zinc/06/65/72/1075066572.db2.gz KANLGNITRZDIEF-BZUAXINKSA-N 0 0 379.409 -1.220 20 0 GAADRN CC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144899418 1075066496 /nfs/dbraw/zinc/06/64/96/1075066496.db2.gz KANLGNITRZDIEF-HRCADAONSA-N 0 0 379.409 -1.220 20 0 GAADRN CC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144899419 1075066487 /nfs/dbraw/zinc/06/64/87/1075066487.db2.gz KANLGNITRZDIEF-OWCLPIDISA-N 0 0 379.409 -1.220 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ncccc12)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899432 1075066519 /nfs/dbraw/zinc/06/65/19/1075066519.db2.gz KDNTUUSXHCLBEC-CYZMBNFOSA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ncccc12)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899433 1075066524 /nfs/dbraw/zinc/06/65/24/1075066524.db2.gz KDNTUUSXHCLBEC-KGYLQXTDSA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ncccc12)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899434 1075066566 /nfs/dbraw/zinc/06/65/66/1075066566.db2.gz KDNTUUSXHCLBEC-RAIGVLPGSA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ncccc12)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899435 1075066557 /nfs/dbraw/zinc/06/65/57/1075066557.db2.gz KDNTUUSXHCLBEC-WCFLWFBJSA-N 0 0 380.353 -2.286 20 0 GAADRN CC(C)(C)OC(=O)CC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144899508 1075066552 /nfs/dbraw/zinc/06/65/52/1075066552.db2.gz KVUVMVSPEMAOAB-FPMFFAJLSA-N 0 0 375.418 -1.399 20 0 GAADRN CC(C)(C)OC(=O)CC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144899509 1075066515 /nfs/dbraw/zinc/06/65/15/1075066515.db2.gz KVUVMVSPEMAOAB-IACUBPJLSA-N 0 0 375.418 -1.399 20 0 GAADRN CC(C)(C)OC(=O)CC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144899510 1075066562 /nfs/dbraw/zinc/06/65/62/1075066562.db2.gz KVUVMVSPEMAOAB-KWCYVHTRSA-N 0 0 375.418 -1.399 20 0 GAADRN CC(C)(C)OC(=O)CC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144899511 1075066505 /nfs/dbraw/zinc/06/65/05/1075066505.db2.gz KVUVMVSPEMAOAB-MRVWCRGKSA-N 0 0 375.418 -1.399 20 0 GAADRN O=C(NC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1)c1cccc(F)c1 ZINC001144899512 1075066509 /nfs/dbraw/zinc/06/65/09/1075066509.db2.gz KVWMRSLDCNIDSV-QLFBSQMISA-N 0 0 398.387 -1.809 20 0 GAADRN O=C(NC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1)c1cccc(F)c1 ZINC001144899513 1075066492 /nfs/dbraw/zinc/06/64/92/1075066492.db2.gz KVWMRSLDCNIDSV-RBSFLKMASA-N 0 0 398.387 -1.809 20 0 GAADRN O=C(NC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1)c1cccc(F)c1 ZINC001144899514 1075066539 /nfs/dbraw/zinc/06/65/39/1075066539.db2.gz KVWMRSLDCNIDSV-RRFJBIMHSA-N 0 0 398.387 -1.809 20 0 GAADRN O=C(NC1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1)c1cccc(F)c1 ZINC001144899515 1075066536 /nfs/dbraw/zinc/06/65/36/1075066536.db2.gz KVWMRSLDCNIDSV-SOUVJXGZSA-N 0 0 398.387 -1.809 20 0 GAADRN O=C(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899612 1075066838 /nfs/dbraw/zinc/06/68/38/1075066838.db2.gz LZZQZPUYRNKWOF-FRRDWIJNSA-N 0 0 389.405 -3.337 20 0 GAADRN O=C(NC1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1)N1CCOCC1 ZINC001144899613 1075066822 /nfs/dbraw/zinc/06/68/22/1075066822.db2.gz LZZQZPUYRNKWOF-JHJVBQTASA-N 0 0 389.405 -3.337 20 0 GAADRN O=C(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899614 1075066841 /nfs/dbraw/zinc/06/68/41/1075066841.db2.gz LZZQZPUYRNKWOF-RWMBFGLXSA-N 0 0 389.405 -3.337 20 0 GAADRN O=C(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899615 1075066834 /nfs/dbraw/zinc/06/68/34/1075066834.db2.gz LZZQZPUYRNKWOF-YNEHKIRRSA-N 0 0 389.405 -3.337 20 0 GAADRN O=C(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899620 1075066819 /nfs/dbraw/zinc/06/68/19/1075066819.db2.gz MBAPLPXPXYMVCK-MROQNXINSA-N 0 0 386.788 -2.016 20 0 GAADRN O=C(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899621 1075066815 /nfs/dbraw/zinc/06/68/15/1075066815.db2.gz MBAPLPXPXYMVCK-WUHRBBMRSA-N 0 0 386.788 -2.016 20 0 GAADRN O=C(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899622 1075066832 /nfs/dbraw/zinc/06/68/32/1075066832.db2.gz MBAPLPXPXYMVCK-YVECIDJPSA-N 0 0 386.788 -2.016 20 0 GAADRN O=C(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899623 1075066829 /nfs/dbraw/zinc/06/68/29/1075066829.db2.gz MBAPLPXPXYMVCK-ZDEQEGDKSA-N 0 0 386.788 -2.016 20 0 GAADRN O=C(C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899624 1075066826 /nfs/dbraw/zinc/06/68/26/1075066826.db2.gz MCATZFKMBAPJOT-JIMOISOXSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899625 1075066824 /nfs/dbraw/zinc/06/68/24/1075066824.db2.gz MCATZFKMBAPJOT-OASPWFOLSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899626 1075066843 /nfs/dbraw/zinc/06/68/43/1075066843.db2.gz MCATZFKMBAPJOT-TVYUQYBPSA-N 0 0 389.792 -1.856 20 0 GAADRN O=C(C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899627 1075066836 /nfs/dbraw/zinc/06/68/36/1075066836.db2.gz MCATZFKMBAPJOT-ZWKOPEQDSA-N 0 0 389.792 -1.856 20 0 GAADRN CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001144899653 1075066839 /nfs/dbraw/zinc/06/68/39/1075066839.db2.gz MGMRWXCKGKTDQH-HDLKOFKZSA-N 0 0 388.417 -2.046 20 0 GAADRN CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001144899654 1075066804 /nfs/dbraw/zinc/06/68/04/1075066804.db2.gz MGMRWXCKGKTDQH-MJYBNVITSA-N 0 0 388.417 -2.046 20 0 GAADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144899684 1075066811 /nfs/dbraw/zinc/06/68/11/1075066811.db2.gz MTFBOGLGXQCEFU-AVRGHOLYSA-N 0 0 383.397 -1.291 20 0 GAADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144899685 1075066844 /nfs/dbraw/zinc/06/68/44/1075066844.db2.gz MTFBOGLGXQCEFU-CZPYZCIJSA-N 0 0 383.397 -1.291 20 0 GAADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144899686 1075066830 /nfs/dbraw/zinc/06/68/30/1075066830.db2.gz MTFBOGLGXQCEFU-GUYJKWIASA-N 0 0 383.397 -1.291 20 0 GAADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144899687 1075066842 /nfs/dbraw/zinc/06/68/42/1075066842.db2.gz MTFBOGLGXQCEFU-NOXHYTERSA-N 0 0 383.397 -1.291 20 0 GAADRN COc1cccc(OC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)n1 ZINC001144899724 1075066964 /nfs/dbraw/zinc/06/69/64/1075066964.db2.gz NGQAIJQIWNJKJW-BYCMXARLSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1cccc(OC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)n1 ZINC001144899725 1075066974 /nfs/dbraw/zinc/06/69/74/1075066974.db2.gz NGQAIJQIWNJKJW-KCPJHIHWSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1cccc(OC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)n1 ZINC001144899726 1075066988 /nfs/dbraw/zinc/06/69/88/1075066988.db2.gz NGQAIJQIWNJKJW-NILFDRSVSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1cccc(OC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)n1 ZINC001144899727 1075067001 /nfs/dbraw/zinc/06/70/01/1075067001.db2.gz NGQAIJQIWNJKJW-TUKIKUTGSA-N 0 0 384.385 -1.896 20 0 GAADRN O=C(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899732 1075066968 /nfs/dbraw/zinc/06/69/68/1075066968.db2.gz NHQCUIYEQLHCEH-IGQOVBAYSA-N 0 0 387.410 -2.295 20 0 GAADRN O=C(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899733 1075066953 /nfs/dbraw/zinc/06/69/53/1075066953.db2.gz NHQCUIYEQLHCEH-REWJHTLYSA-N 0 0 387.410 -2.295 20 0 GAADRN O=C(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899734 1075067021 /nfs/dbraw/zinc/06/70/21/1075067021.db2.gz NHQCUIYEQLHCEH-RFQIPJPRSA-N 0 0 387.410 -2.295 20 0 GAADRN O=C(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899735 1075066996 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/nfs/dbraw/zinc/06/69/32/1075066932.db2.gz NNNNDEJMYPCXTK-DDUYRFODSA-N 0 0 383.397 -1.389 20 0 GAADRN COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899761 1075066940 /nfs/dbraw/zinc/06/69/40/1075066940.db2.gz NNNNDEJMYPCXTK-DLKVLKDVSA-N 0 0 383.397 -1.389 20 0 GAADRN COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899762 1075066928 /nfs/dbraw/zinc/06/69/28/1075066928.db2.gz NNNNDEJMYPCXTK-KSZJFAHPSA-N 0 0 383.397 -1.389 20 0 GAADRN COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899763 1075066946 /nfs/dbraw/zinc/06/69/46/1075066946.db2.gz NNNNDEJMYPCXTK-RUAUBTSSSA-N 0 0 383.397 -1.389 20 0 GAADRN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899768 1075067008 /nfs/dbraw/zinc/06/70/08/1075067008.db2.gz NORQJCQJGIDNON-BSCCGWMCSA-N 0 0 387.429 -1.401 20 0 GAADRN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899769 1075066980 /nfs/dbraw/zinc/06/69/80/1075066980.db2.gz NORQJCQJGIDNON-KYTCRMMBSA-N 0 0 387.429 -1.401 20 0 GAADRN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899770 1075067006 /nfs/dbraw/zinc/06/70/06/1075067006.db2.gz NORQJCQJGIDNON-LQSBQDLSSA-N 0 0 387.429 -1.401 20 0 GAADRN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899771 1075067025 /nfs/dbraw/zinc/06/70/25/1075067025.db2.gz NORQJCQJGIDNON-SNIKSBKOSA-N 0 0 387.429 -1.401 20 0 GAADRN Cn1c2ccccc2nc1C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144899820 1075067267 /nfs/dbraw/zinc/06/72/67/1075067267.db2.gz OFLIGNGOMGDDBS-ARFHVFGLSA-N 0 0 391.424 -1.077 20 0 GAADRN Cn1c2ccccc2nc1C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144899821 1075067274 /nfs/dbraw/zinc/06/72/74/1075067274.db2.gz OFLIGNGOMGDDBS-BZUAXINKSA-N 0 0 391.424 -1.077 20 0 GAADRN Cn1c2ccccc2nc1C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144899822 1075067298 /nfs/dbraw/zinc/06/72/98/1075067298.db2.gz OFLIGNGOMGDDBS-HRCADAONSA-N 0 0 391.424 -1.077 20 0 GAADRN Cn1c2ccccc2nc1C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144899823 1075067263 /nfs/dbraw/zinc/06/72/63/1075067263.db2.gz OFLIGNGOMGDDBS-OWCLPIDISA-N 0 0 391.424 -1.077 20 0 GAADRN COc1cccc(NC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c1 ZINC001144899844 1075067278 /nfs/dbraw/zinc/06/72/78/1075067278.db2.gz OPYPBVXBOCGSPK-ARFHVFGLSA-N 0 0 382.413 -1.258 20 0 GAADRN COc1cccc(NC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c1 ZINC001144899845 1075067251 /nfs/dbraw/zinc/06/72/51/1075067251.db2.gz OPYPBVXBOCGSPK-BZUAXINKSA-N 0 0 382.413 -1.258 20 0 GAADRN COc1cccc(NC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c1 ZINC001144899846 1075067281 /nfs/dbraw/zinc/06/72/81/1075067281.db2.gz OPYPBVXBOCGSPK-HRCADAONSA-N 0 0 382.413 -1.258 20 0 GAADRN COc1cccc(NC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c1 ZINC001144899847 1075067305 /nfs/dbraw/zinc/06/73/05/1075067305.db2.gz OPYPBVXBOCGSPK-OWCLPIDISA-N 0 0 382.413 -1.258 20 0 GAADRN O=C(C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899936 1075067235 /nfs/dbraw/zinc/06/72/35/1075067235.db2.gz PJBLLDSKBBAZSJ-BFHYXJOUSA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899937 1075067310 /nfs/dbraw/zinc/06/73/10/1075067310.db2.gz PJBLLDSKBBAZSJ-HZSPNIEDSA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899938 1075067285 /nfs/dbraw/zinc/06/72/85/1075067285.db2.gz PJBLLDSKBBAZSJ-MELADBBJSA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899939 1075067271 /nfs/dbraw/zinc/06/72/71/1075067271.db2.gz PJBLLDSKBBAZSJ-MGPQQGTHSA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899948 1075067220 /nfs/dbraw/zinc/06/72/20/1075067220.db2.gz POYJDVZFKZYKOK-JXFNIYHZSA-N 0 0 387.392 -1.313 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899954 1075067300 /nfs/dbraw/zinc/06/73/00/1075067300.db2.gz POYJDVZFKZYKOK-RHCLQFCISA-N 0 0 387.392 -1.313 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899968 1075067233 /nfs/dbraw/zinc/06/72/33/1075067233.db2.gz POYJDVZFKZYKOK-RXVVGYCVSA-N 0 0 387.392 -1.313 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899973 1075067226 /nfs/dbraw/zinc/06/72/26/1075067226.db2.gz POYJDVZFKZYKOK-WIKBBRSPSA-N 0 0 387.392 -1.313 20 0 GAADRN O=C(C(=O)N1CCN(c2cccc3n[nH]cc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900026 1075067204 /nfs/dbraw/zinc/06/72/04/1075067204.db2.gz PRNBTHVKSUNGDN-QLFBSQMISA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2cccc3n[nH]cc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900029 1075067243 /nfs/dbraw/zinc/06/72/43/1075067243.db2.gz PRNBTHVKSUNGDN-RBSFLKMASA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2cccc3n[nH]cc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900033 1075067256 /nfs/dbraw/zinc/06/72/56/1075067256.db2.gz PRNBTHVKSUNGDN-RRFJBIMHSA-N 0 0 378.385 -2.144 20 0 GAADRN O=C(C(=O)N1CCN(c2cccc3n[nH]cc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900038 1075067289 /nfs/dbraw/zinc/06/72/89/1075067289.db2.gz PRNBTHVKSUNGDN-SOUVJXGZSA-N 0 0 378.385 -2.144 20 0 GAADRN CC(=O)NCc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC2 ZINC001144900384 1075067475 /nfs/dbraw/zinc/06/74/75/1075067475.db2.gz RKLGFRBZFVCMDP-BFHYXJOUSA-N 0 0 384.389 -3.104 20 0 GAADRN CC(=O)NCc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCC2 ZINC001144900385 1075067555 /nfs/dbraw/zinc/06/75/55/1075067555.db2.gz RKLGFRBZFVCMDP-HZSPNIEDSA-N 0 0 384.389 -3.104 20 0 GAADRN CC(=O)NCc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC2 ZINC001144900386 1075067540 /nfs/dbraw/zinc/06/75/40/1075067540.db2.gz RKLGFRBZFVCMDP-MELADBBJSA-N 0 0 384.389 -3.104 20 0 GAADRN CC(=O)NCc1ncn2c1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCC2 ZINC001144900387 1075067569 /nfs/dbraw/zinc/06/75/69/1075067569.db2.gz RKLGFRBZFVCMDP-MGPQQGTHSA-N 0 0 384.389 -3.104 20 0 GAADRN O=C(C(=O)N1CCc2nn(-c3ccccc3)cc2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900432 1075067470 /nfs/dbraw/zinc/06/74/70/1075067470.db2.gz RSRLIQMMQLVLKW-ARFHVFGLSA-N 0 0 375.381 -1.599 20 0 GAADRN O=C(C(=O)N1CCc2nn(-c3ccccc3)cc2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900433 1075067495 /nfs/dbraw/zinc/06/74/95/1075067495.db2.gz RSRLIQMMQLVLKW-BZUAXINKSA-N 0 0 375.381 -1.599 20 0 GAADRN O=C(C(=O)N1CCc2nn(-c3ccccc3)cc2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900434 1075067480 /nfs/dbraw/zinc/06/74/80/1075067480.db2.gz RSRLIQMMQLVLKW-HRCADAONSA-N 0 0 375.381 -1.599 20 0 GAADRN O=C(C(=O)N1CCc2nn(-c3ccccc3)cc2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900435 1075067560 /nfs/dbraw/zinc/06/75/60/1075067560.db2.gz RSRLIQMMQLVLKW-OWCLPIDISA-N 0 0 375.381 -1.599 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900448 1075067739 /nfs/dbraw/zinc/06/77/39/1075067739.db2.gz SDEKSMHECFTIRE-ARFHVFGLSA-N 0 0 377.397 -1.539 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900449 1075067743 /nfs/dbraw/zinc/06/77/43/1075067743.db2.gz SDEKSMHECFTIRE-BZUAXINKSA-N 0 0 377.397 -1.539 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900450 1075067754 /nfs/dbraw/zinc/06/77/54/1075067754.db2.gz SDEKSMHECFTIRE-HRCADAONSA-N 0 0 377.397 -1.539 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900451 1075067723 /nfs/dbraw/zinc/06/77/23/1075067723.db2.gz SDEKSMHECFTIRE-OWCLPIDISA-N 0 0 377.397 -1.539 20 0 GAADRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900456 1075067760 /nfs/dbraw/zinc/06/77/60/1075067760.db2.gz SFMQGVMOJCHJBU-FMUFZJFTSA-N 0 0 381.359 -3.753 20 0 GAADRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900457 1075067763 /nfs/dbraw/zinc/06/77/63/1075067763.db2.gz SFMQGVMOJCHJBU-NRURWVQNSA-N 0 0 381.359 -3.753 20 0 GAADRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900458 1075067750 /nfs/dbraw/zinc/06/77/50/1075067750.db2.gz SFMQGVMOJCHJBU-XMURUDDGSA-N 0 0 381.359 -3.753 20 0 GAADRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900459 1075067791 /nfs/dbraw/zinc/06/77/91/1075067791.db2.gz SFMQGVMOJCHJBU-YUECIMINSA-N 0 0 381.359 -3.753 20 0 GAADRN O=C(C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900468 1075067745 /nfs/dbraw/zinc/06/77/45/1075067745.db2.gz SKRWMCIUGKPDRY-CWRNSKLLSA-N 0 0 394.428 -2.942 20 0 GAADRN O=C(C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900469 1075067732 /nfs/dbraw/zinc/06/77/32/1075067732.db2.gz SKRWMCIUGKPDRY-FVQBIDKESA-N 0 0 394.428 -2.942 20 0 GAADRN O=C(C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900470 1075067728 /nfs/dbraw/zinc/06/77/28/1075067728.db2.gz SKRWMCIUGKPDRY-NUEKZKHPSA-N 0 0 394.428 -2.942 20 0 GAADRN O=C(C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900471 1075067751 /nfs/dbraw/zinc/06/77/51/1075067751.db2.gz SKRWMCIUGKPDRY-VNQPRFMTSA-N 0 0 394.428 -2.942 20 0 GAADRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144900596 1075067777 /nfs/dbraw/zinc/06/77/77/1075067777.db2.gz SZULLMLWSNYKQB-NRFQWKTPSA-N 0 0 399.400 -2.390 20 0 GAADRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144900597 1075067786 /nfs/dbraw/zinc/06/77/86/1075067786.db2.gz SZULLMLWSNYKQB-ONCHEJIZSA-N 0 0 399.400 -2.390 20 0 GAADRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144900598 1075067768 /nfs/dbraw/zinc/06/77/68/1075067768.db2.gz SZULLMLWSNYKQB-QLPDKGEUSA-N 0 0 399.400 -2.390 20 0 GAADRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144900599 1075067756 /nfs/dbraw/zinc/06/77/56/1075067756.db2.gz SZULLMLWSNYKQB-SZZQBSIJSA-N 0 0 399.400 -2.390 20 0 GAADRN O=C(Cc1ccccc1)N1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144900652 1075067783 /nfs/dbraw/zinc/06/77/83/1075067783.db2.gz UHELWRODRULVPE-BHYGNILZSA-N 0 0 394.424 -2.066 20 0 GAADRN O=C(Cc1ccccc1)N1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144900663 1075067765 /nfs/dbraw/zinc/06/77/65/1075067765.db2.gz UHELWRODRULVPE-DJIMGWMZSA-N 0 0 394.424 -2.066 20 0 GAADRN O=C(Cc1ccccc1)N1CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144900666 1075067735 /nfs/dbraw/zinc/06/77/35/1075067735.db2.gz UHELWRODRULVPE-HYVNUMGLSA-N 0 0 394.424 -2.066 20 0 GAADRN O=C(Cc1ccccc1)N1CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144900670 1075067772 /nfs/dbraw/zinc/06/77/72/1075067772.db2.gz UHELWRODRULVPE-USXIJHARSA-N 0 0 394.424 -2.066 20 0 GAADRN O=C(C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900786 1075068069 /nfs/dbraw/zinc/06/80/69/1075068069.db2.gz URXSRDHHCVXBDG-FRRDWIJNSA-N 0 0 394.446 -2.953 20 0 GAADRN O=C(C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900787 1075068091 /nfs/dbraw/zinc/06/80/91/1075068091.db2.gz URXSRDHHCVXBDG-JHJVBQTASA-N 0 0 394.446 -2.953 20 0 GAADRN O=C(C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900788 1075068052 /nfs/dbraw/zinc/06/80/52/1075068052.db2.gz URXSRDHHCVXBDG-RWMBFGLXSA-N 0 0 394.446 -2.953 20 0 GAADRN O=C(C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900789 1075068100 /nfs/dbraw/zinc/06/81/00/1075068100.db2.gz URXSRDHHCVXBDG-YNEHKIRRSA-N 0 0 394.446 -2.953 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ccncc12)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900854 1075068029 /nfs/dbraw/zinc/06/80/29/1075068029.db2.gz VMWUIHCEUCEMHQ-FRRDWIJNSA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ccncc12)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900855 1075068109 /nfs/dbraw/zinc/06/81/09/1075068109.db2.gz VMWUIHCEUCEMHQ-JHJVBQTASA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ccncc12)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900856 1075068014 /nfs/dbraw/zinc/06/80/14/1075068014.db2.gz VMWUIHCEUCEMHQ-RWMBFGLXSA-N 0 0 380.353 -2.286 20 0 GAADRN O=C(C(=O)N1CCC2(CC1)OC(=O)c1ccncc12)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900857 1075068074 /nfs/dbraw/zinc/06/80/74/1075068074.db2.gz VMWUIHCEUCEMHQ-YNEHKIRRSA-N 0 0 380.353 -2.286 20 0 GAADRN CN(C(=O)c1ccccc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144900882 1075068104 /nfs/dbraw/zinc/06/81/04/1075068104.db2.gz VXWPPPNBVUUALG-ARFHVFGLSA-N 0 0 394.424 -1.606 20 0 GAADRN CN(C(=O)c1ccccc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144900883 1075068094 /nfs/dbraw/zinc/06/80/94/1075068094.db2.gz VXWPPPNBVUUALG-BZUAXINKSA-N 0 0 394.424 -1.606 20 0 GAADRN CN(C(=O)c1ccccc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144900884 1075068023 /nfs/dbraw/zinc/06/80/23/1075068023.db2.gz VXWPPPNBVUUALG-HRCADAONSA-N 0 0 394.424 -1.606 20 0 GAADRN CN(C(=O)c1ccccc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144900885 1075068063 /nfs/dbraw/zinc/06/80/63/1075068063.db2.gz VXWPPPNBVUUALG-OWCLPIDISA-N 0 0 394.424 -1.606 20 0 GAADRN O=C(C(=O)N1CCN(CCOc2ccccc2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900994 1075068262 /nfs/dbraw/zinc/06/82/62/1075068262.db2.gz XLVWGHDYHHURAM-ARFHVFGLSA-N 0 0 382.413 -2.146 20 0 GAADRN O=C(C(=O)N1CCN(CCOc2ccccc2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900995 1075068283 /nfs/dbraw/zinc/06/82/83/1075068283.db2.gz XLVWGHDYHHURAM-BZUAXINKSA-N 0 0 382.413 -2.146 20 0 GAADRN O=C(C(=O)N1CCN(CCOc2ccccc2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900996 1075068287 /nfs/dbraw/zinc/06/82/87/1075068287.db2.gz XLVWGHDYHHURAM-HRCADAONSA-N 0 0 382.413 -2.146 20 0 GAADRN O=C(C(=O)N1CCN(CCOc2ccccc2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900997 1075068277 /nfs/dbraw/zinc/06/82/77/1075068277.db2.gz XLVWGHDYHHURAM-OWCLPIDISA-N 0 0 382.413 -2.146 20 0 GAADRN CCOC(=O)c1cc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144901030 1075068254 /nfs/dbraw/zinc/06/82/54/1075068254.db2.gz XVUDVLSCWPULRI-JIMOISOXSA-N 0 0 387.410 -1.546 20 0 GAADRN CCOC(=O)c1cc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144901031 1075068280 /nfs/dbraw/zinc/06/82/80/1075068280.db2.gz XVUDVLSCWPULRI-OASPWFOLSA-N 0 0 387.410 -1.546 20 0 GAADRN CCOC(=O)c1cc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144901032 1075068251 /nfs/dbraw/zinc/06/82/51/1075068251.db2.gz XVUDVLSCWPULRI-TVYUQYBPSA-N 0 0 387.410 -1.546 20 0 GAADRN CCOC(=O)c1cc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144901033 1075068296 /nfs/dbraw/zinc/06/82/96/1075068296.db2.gz XVUDVLSCWPULRI-ZWKOPEQDSA-N 0 0 387.410 -1.546 20 0 GAADRN O=C(C(=O)N1CCN(c2nccc3occc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901066 1075068260 /nfs/dbraw/zinc/06/82/60/1075068260.db2.gz YETGLUKZVSKBCL-FPMFFAJLSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2nccc3occc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901067 1075068257 /nfs/dbraw/zinc/06/82/57/1075068257.db2.gz YETGLUKZVSKBCL-IACUBPJLSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2nccc3occc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901068 1075068243 /nfs/dbraw/zinc/06/82/43/1075068243.db2.gz YETGLUKZVSKBCL-KWCYVHTRSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1CCN(c2nccc3occc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901069 1075068247 /nfs/dbraw/zinc/06/82/47/1075068247.db2.gz YETGLUKZVSKBCL-MRVWCRGKSA-N 0 0 379.369 -1.880 20 0 GAADRN O=C(C(=O)N1Cc2cc(Br)cnc2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901074 1075068595 /nfs/dbraw/zinc/06/85/95/1075068595.db2.gz YHWNDMVGOQHQMW-GARJFASQSA-N 0 0 375.175 -1.670 20 0 GAADRN O=C(C(=O)N1Cc2cc(Br)cnc2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901075 1075068552 /nfs/dbraw/zinc/06/85/52/1075068552.db2.gz YHWNDMVGOQHQMW-GMTAPVOTSA-N 0 0 375.175 -1.670 20 0 GAADRN O=C(C(=O)N1Cc2cc(Br)cnc2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901076 1075068556 /nfs/dbraw/zinc/06/85/56/1075068556.db2.gz YHWNDMVGOQHQMW-HBNTYKKESA-N 0 0 375.175 -1.670 20 0 GAADRN O=C(C(=O)N1Cc2cc(Br)cnc2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901077 1075068525 /nfs/dbraw/zinc/06/85/25/1075068525.db2.gz YHWNDMVGOQHQMW-OUAUKWLOSA-N 0 0 375.175 -1.670 20 0 GAADRN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901078 1075068493 /nfs/dbraw/zinc/06/84/93/1075068493.db2.gz YMUYDGIDGCADQN-LNFKQOIKSA-N 0 0 390.389 -2.327 20 0 GAADRN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901079 1075068583 /nfs/dbraw/zinc/06/85/83/1075068583.db2.gz YMUYDGIDGCADQN-UKKRHICBSA-N 0 0 390.389 -2.327 20 0 GAADRN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901080 1075068539 /nfs/dbraw/zinc/06/85/39/1075068539.db2.gz YMUYDGIDGCADQN-XWLWVQCSSA-N 0 0 390.389 -2.327 20 0 GAADRN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901081 1075068573 /nfs/dbraw/zinc/06/85/73/1075068573.db2.gz YMUYDGIDGCADQN-ZRUFSTJUSA-N 0 0 390.389 -2.327 20 0 GAADRN CCOC(=O)c1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144901090 1075068599 /nfs/dbraw/zinc/06/85/99/1075068599.db2.gz YOQPMHQLYABGPJ-CYZMBNFOSA-N 0 0 385.373 -2.911 20 0 GAADRN CCOC(=O)c1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144901091 1075068519 /nfs/dbraw/zinc/06/85/19/1075068519.db2.gz YOQPMHQLYABGPJ-KGYLQXTDSA-N 0 0 385.373 -2.911 20 0 GAADRN CCOC(=O)c1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144901092 1075068570 /nfs/dbraw/zinc/06/85/70/1075068570.db2.gz YOQPMHQLYABGPJ-RAIGVLPGSA-N 0 0 385.373 -2.911 20 0 GAADRN CCOC(=O)c1cnc2n1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144901093 1075068549 /nfs/dbraw/zinc/06/85/49/1075068549.db2.gz YOQPMHQLYABGPJ-WCFLWFBJSA-N 0 0 385.373 -2.911 20 0 GAADRN CO[C@H](CN1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1)c1ccccc1 ZINC001144901106 1075068515 /nfs/dbraw/zinc/06/85/15/1075068515.db2.gz YRWHILZRSTWGRF-QBPKDAKJSA-N 0 0 396.440 -1.838 20 0 GAADRN CO[C@H](CN1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1)c1ccccc1 ZINC001144901107 1075068488 /nfs/dbraw/zinc/06/84/88/1075068488.db2.gz YRWHILZRSTWGRF-VVLHAWIVSA-N 0 0 396.440 -1.838 20 0 GAADRN CO[C@H](CN1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1)c1ccccc1 ZINC001144901108 1075068504 /nfs/dbraw/zinc/06/85/04/1075068504.db2.gz YRWHILZRSTWGRF-WCXIOVBPSA-N 0 0 396.440 -1.838 20 0 GAADRN CO[C@H](CN1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1)c1ccccc1 ZINC001144901109 1075068531 /nfs/dbraw/zinc/06/85/31/1075068531.db2.gz YRWHILZRSTWGRF-YLFCFFPRSA-N 0 0 396.440 -1.838 20 0 GAADRN 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COc1ccnc(OC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)n1 ZINC001144901380 1075068974 /nfs/dbraw/zinc/06/89/74/1075068974.db2.gz CAZPKTLYIAOANZ-RAIGVLPGSA-N 0 0 385.373 -2.501 20 0 GAADRN COc1ccnc(OC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)n1 ZINC001144901381 1075069053 /nfs/dbraw/zinc/06/90/53/1075069053.db2.gz CAZPKTLYIAOANZ-WCFLWFBJSA-N 0 0 385.373 -2.501 20 0 GAADRN COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901418 1075069058 /nfs/dbraw/zinc/06/90/58/1075069058.db2.gz CPGUZAARLKIUAW-AQUOVQTQSA-N 0 0 399.331 -1.918 20 0 GAADRN COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901419 1075068950 /nfs/dbraw/zinc/06/89/50/1075068950.db2.gz CPGUZAARLKIUAW-BZHVJNSISA-N 0 0 399.331 -1.918 20 0 GAADRN COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901420 1075069036 /nfs/dbraw/zinc/06/90/36/1075069036.db2.gz CPGUZAARLKIUAW-OXHMUOHRSA-N 0 0 399.331 -1.918 20 0 GAADRN COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901421 1075069032 /nfs/dbraw/zinc/06/90/32/1075069032.db2.gz CPGUZAARLKIUAW-ZEGGKSINSA-N 0 0 399.331 -1.918 20 0 GAADRN COC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc2c1OC[C@@H]1C[C@H]21 ZINC001144901438 1075069335 /nfs/dbraw/zinc/06/93/35/1075069335.db2.gz CXBBRPRKLJHZKI-AHCYNESBSA-N 0 0 395.364 -1.448 20 0 GAADRN COC(=O)c1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc2c1OC[C@H]1C[C@@H]21 ZINC001144901440 1075069399 /nfs/dbraw/zinc/06/93/99/1075069399.db2.gz CXBBRPRKLJHZKI-KAGIRHPFSA-N 0 0 395.364 -1.448 20 0 GAADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901450 1075069366 /nfs/dbraw/zinc/06/93/66/1075069366.db2.gz CXUFOHJVGHHTPK-CYZMBNFOSA-N 0 0 375.399 -1.549 20 0 GAADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901451 1075069340 /nfs/dbraw/zinc/06/93/40/1075069340.db2.gz CXUFOHJVGHHTPK-KGYLQXTDSA-N 0 0 375.399 -1.549 20 0 GAADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901452 1075069394 /nfs/dbraw/zinc/06/93/94/1075069394.db2.gz CXUFOHJVGHHTPK-RAIGVLPGSA-N 0 0 375.399 -1.549 20 0 GAADRN CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901453 1075069326 /nfs/dbraw/zinc/06/93/26/1075069326.db2.gz CXUFOHJVGHHTPK-WCFLWFBJSA-N 0 0 375.399 -1.549 20 0 GAADRN O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901546 1075069300 /nfs/dbraw/zinc/06/93/00/1075069300.db2.gz AJJPMBRRZYGAFV-CYZMBNFOSA-N 0 0 397.771 -1.532 20 0 GAADRN O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901547 1075069345 /nfs/dbraw/zinc/06/93/45/1075069345.db2.gz AJJPMBRRZYGAFV-KGYLQXTDSA-N 0 0 397.771 -1.532 20 0 GAADRN O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901548 1075069376 /nfs/dbraw/zinc/06/93/76/1075069376.db2.gz AJJPMBRRZYGAFV-RAIGVLPGSA-N 0 0 397.771 -1.532 20 0 GAADRN O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901550 1075069371 /nfs/dbraw/zinc/06/93/71/1075069371.db2.gz AJJPMBRRZYGAFV-WCFLWFBJSA-N 0 0 397.771 -1.532 20 0 GAADRN CCCCCCOC(=O)CCC(=O)CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901563 1075069310 /nfs/dbraw/zinc/06/93/10/1075069310.db2.gz AOPAYIJXKHLMFR-AEGPPILISA-N 0 0 391.417 -1.781 20 0 GAADRN CCCCCCOC(=O)CCC(=O)CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901570 1075069382 /nfs/dbraw/zinc/06/93/82/1075069382.db2.gz AOPAYIJXKHLMFR-BPLDGKMQSA-N 0 0 391.417 -1.781 20 0 GAADRN CCCCCCOC(=O)CCC(=O)CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901572 1075069396 /nfs/dbraw/zinc/06/93/96/1075069396.db2.gz AOPAYIJXKHLMFR-NWANDNLSSA-N 0 0 391.417 -1.781 20 0 GAADRN CCCCCCOC(=O)CCC(=O)CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901574 1075069361 /nfs/dbraw/zinc/06/93/61/1075069361.db2.gz AOPAYIJXKHLMFR-VHDGCEQUSA-N 0 0 391.417 -1.781 20 0 GAADRN O=C(CCCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)OCc1ccccc1 ZINC001144901623 1075069513 /nfs/dbraw/zinc/06/95/13/1075069513.db2.gz ATPAIBFUUILQFI-CWRNSKLLSA-N 0 0 383.397 -1.340 20 0 GAADRN O=C(CCCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)OCc1ccccc1 ZINC001144901624 1075069572 /nfs/dbraw/zinc/06/95/72/1075069572.db2.gz ATPAIBFUUILQFI-FVQBIDKESA-N 0 0 383.397 -1.340 20 0 GAADRN O=C(CCCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)OCc1ccccc1 ZINC001144901626 1075069510 /nfs/dbraw/zinc/06/95/10/1075069510.db2.gz ATPAIBFUUILQFI-NUEKZKHPSA-N 0 0 383.397 -1.340 20 0 GAADRN O=C(CCCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)OCc1ccccc1 ZINC001144901628 1075069488 /nfs/dbraw/zinc/06/94/88/1075069488.db2.gz ATPAIBFUUILQFI-VNQPRFMTSA-N 0 0 383.397 -1.340 20 0 GAADRN COc1ccccc1CN1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144901644 1075069577 /nfs/dbraw/zinc/06/95/77/1075069577.db2.gz AWHALAVYUKYYHG-DARAHFNDSA-N 0 0 382.413 -1.970 20 0 GAADRN COc1ccccc1CN1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144901649 1075069516 /nfs/dbraw/zinc/06/95/16/1075069516.db2.gz AWHALAVYUKYYHG-LQKXBSAESA-N 0 0 382.413 -1.970 20 0 GAADRN COc1ccccc1CN1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144901651 1075069494 /nfs/dbraw/zinc/06/94/94/1075069494.db2.gz AWHALAVYUKYYHG-SJXGUFTOSA-N 0 0 382.413 -1.970 20 0 GAADRN COc1ccccc1CN1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144901652 1075069550 /nfs/dbraw/zinc/06/95/50/1075069550.db2.gz AWHALAVYUKYYHG-WMHQRMGPSA-N 0 0 382.413 -1.970 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]1c1ccccc1 ZINC001144901930 1075069502 /nfs/dbraw/zinc/06/95/02/1075069502.db2.gz GANQURFNSKPKKZ-AIEDFZFUSA-N 0 0 381.381 -1.607 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]1c1ccccc1 ZINC001144901931 1075069490 /nfs/dbraw/zinc/06/94/90/1075069490.db2.gz GANQURFNSKPKKZ-BTFPBAQTSA-N 0 0 381.381 -1.607 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]1c1ccccc1 ZINC001144901932 1075069569 /nfs/dbraw/zinc/06/95/69/1075069569.db2.gz GANQURFNSKPKKZ-XPABHHOTSA-N 0 0 381.381 -1.607 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]1c1ccccc1 ZINC001144901933 1075069504 /nfs/dbraw/zinc/06/95/04/1075069504.db2.gz GANQURFNSKPKKZ-YYFQZIEXSA-N 0 0 381.381 -1.607 20 0 GAADRN CS(=O)(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1F ZINC001144901938 1075069594 /nfs/dbraw/zinc/06/95/94/1075069594.db2.gz GELOQXQIFHMSQO-DVVUODLYSA-N 0 0 383.325 -2.049 20 0 GAADRN CS(=O)(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1F ZINC001144901939 1075069542 /nfs/dbraw/zinc/06/95/42/1075069542.db2.gz GELOQXQIFHMSQO-FBIMIBRVSA-N 0 0 383.325 -2.049 20 0 GAADRN CS(=O)(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1F ZINC001144901940 1075069483 /nfs/dbraw/zinc/06/94/83/1075069483.db2.gz GELOQXQIFHMSQO-INTQDDNPSA-N 0 0 383.325 -2.049 20 0 GAADRN CS(=O)(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1F ZINC001144901941 1075069600 /nfs/dbraw/zinc/06/96/00/1075069600.db2.gz GELOQXQIFHMSQO-JMJZKYOTSA-N 0 0 383.325 -2.049 20 0 GAADRN COc1ccccc1Cn1cncc1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902054 1075069815 /nfs/dbraw/zinc/06/98/15/1075069815.db2.gz CWTWUHOTVOMARG-CWRNSKLLSA-N 0 0 393.396 -1.800 20 0 GAADRN COc1ccccc1Cn1cncc1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902055 1075069780 /nfs/dbraw/zinc/06/97/80/1075069780.db2.gz CWTWUHOTVOMARG-FVQBIDKESA-N 0 0 393.396 -1.800 20 0 GAADRN COc1ccccc1Cn1cncc1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902056 1075069830 /nfs/dbraw/zinc/06/98/30/1075069830.db2.gz CWTWUHOTVOMARG-NUEKZKHPSA-N 0 0 393.396 -1.800 20 0 GAADRN COc1ccccc1Cn1cncc1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902057 1075069806 /nfs/dbraw/zinc/06/98/06/1075069806.db2.gz CWTWUHOTVOMARG-VNQPRFMTSA-N 0 0 393.396 -1.800 20 0 GAADRN CC(C)CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144902086 1075069775 /nfs/dbraw/zinc/06/97/75/1075069775.db2.gz DGMVYQULLGYHEI-QNWHQSFQSA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144902087 1075069839 /nfs/dbraw/zinc/06/98/39/1075069839.db2.gz DGMVYQULLGYHEI-UMSGYPCISA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144902088 1075069791 /nfs/dbraw/zinc/06/97/91/1075069791.db2.gz DGMVYQULLGYHEI-WUHRBBMRSA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144902089 1075069888 /nfs/dbraw/zinc/06/98/88/1075069888.db2.gz DGMVYQULLGYHEI-ZDEQEGDKSA-N 0 0 377.434 -1.107 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902239 1075069845 /nfs/dbraw/zinc/06/98/45/1075069845.db2.gz HEPDXFZBVHUSPT-BRWVUGGUSA-N 0 0 392.408 -1.892 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902278 1075069804 /nfs/dbraw/zinc/06/98/04/1075069804.db2.gz HEPDXFZBVHUSPT-GVDBMIGSSA-N 0 0 392.408 -1.892 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902282 1075069841 /nfs/dbraw/zinc/06/98/41/1075069841.db2.gz HEPDXFZBVHUSPT-IXDOHACOSA-N 0 0 392.408 -1.892 20 0 GAADRN O=C(C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902286 1075069769 /nfs/dbraw/zinc/06/97/69/1075069769.db2.gz HEPDXFZBVHUSPT-YESZJQIVSA-N 0 0 392.408 -1.892 20 0 GAADRN COc1cccc(C(F)(F)F)c1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902358 1075069857 /nfs/dbraw/zinc/06/98/57/1075069857.db2.gz DRZRSGBZNRLYBH-ADEWGFFLSA-N 0 0 381.303 -1.026 20 0 GAADRN COc1cccc(C(F)(F)F)c1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902363 1075069883 /nfs/dbraw/zinc/06/98/83/1075069883.db2.gz DRZRSGBZNRLYBH-MVWJERBFSA-N 0 0 381.303 -1.026 20 0 GAADRN COc1cccc(C(F)(F)F)c1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902364 1075069823 /nfs/dbraw/zinc/06/98/23/1075069823.db2.gz DRZRSGBZNRLYBH-YUSALJHKSA-N 0 0 381.303 -1.026 20 0 GAADRN COc1cccc(C(F)(F)F)c1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902366 1075069862 /nfs/dbraw/zinc/06/98/62/1075069862.db2.gz DRZRSGBZNRLYBH-ZMLRMANQSA-N 0 0 381.303 -1.026 20 0 GAADRN CN1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144902374 1075069849 /nfs/dbraw/zinc/06/98/49/1075069849.db2.gz HGGRSVKVINRPEL-QLFBSQMISA-N 0 0 385.392 -1.840 20 0 GAADRN CN1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144902377 1075069796 /nfs/dbraw/zinc/06/97/96/1075069796.db2.gz HGGRSVKVINRPEL-RBSFLKMASA-N 0 0 385.392 -1.840 20 0 GAADRN CN1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144902379 1075069877 /nfs/dbraw/zinc/06/98/77/1075069877.db2.gz HGGRSVKVINRPEL-RRFJBIMHSA-N 0 0 385.392 -1.840 20 0 GAADRN CN1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144902381 1075069868 /nfs/dbraw/zinc/06/98/68/1075069868.db2.gz HGGRSVKVINRPEL-SOUVJXGZSA-N 0 0 385.392 -1.840 20 0 GAADRN Cn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n(-c2ccccc2)c1=O ZINC001144902466 1075070080 /nfs/dbraw/zinc/07/00/80/1075070080.db2.gz FUMQLTIDFNGPTA-DDTOSNHZSA-N 0 0 393.352 -2.881 20 0 GAADRN Cn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n(-c2ccccc2)c1=O ZINC001144902473 1075070085 /nfs/dbraw/zinc/07/00/85/1075070085.db2.gz FUMQLTIDFNGPTA-LERXQTSPSA-N 0 0 393.352 -2.881 20 0 GAADRN Cn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n(-c2ccccc2)c1=O ZINC001144902476 1075070047 /nfs/dbraw/zinc/07/00/47/1075070047.db2.gz FUMQLTIDFNGPTA-LEWSCRJBSA-N 0 0 393.352 -2.881 20 0 GAADRN Cn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n(-c2ccccc2)c1=O ZINC001144902478 1075070087 /nfs/dbraw/zinc/07/00/87/1075070087.db2.gz FUMQLTIDFNGPTA-ZLKJLUDKSA-N 0 0 393.352 -2.881 20 0 GAADRN Cc1nn(CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C)c1Br ZINC001144902614 1075070078 /nfs/dbraw/zinc/07/00/78/1075070078.db2.gz GFDYCPXINYREHU-DVVUODLYSA-N 0 0 394.222 -1.977 20 0 GAADRN Cc1nn(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(C)c1Br ZINC001144902615 1075070070 /nfs/dbraw/zinc/07/00/70/1075070070.db2.gz GFDYCPXINYREHU-FBIMIBRVSA-N 0 0 394.222 -1.977 20 0 GAADRN Cc1nn(CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(C)c1Br ZINC001144902616 1075070065 /nfs/dbraw/zinc/07/00/65/1075070065.db2.gz GFDYCPXINYREHU-INTQDDNPSA-N 0 0 394.222 -1.977 20 0 GAADRN Cc1nn(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(C)c1Br ZINC001144902617 1075070082 /nfs/dbraw/zinc/07/00/82/1075070082.db2.gz GFDYCPXINYREHU-JMJZKYOTSA-N 0 0 394.222 -1.977 20 0 GAADRN COc1ccc(O[C@@H]2CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)nc1 ZINC001144902722 1075070059 /nfs/dbraw/zinc/07/00/59/1075070059.db2.gz IETFQFALYLEWAJ-AYRXBEOTSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1ccc(O[C@@H]2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)nc1 ZINC001144902723 1075070071 /nfs/dbraw/zinc/07/00/71/1075070071.db2.gz IETFQFALYLEWAJ-PAPYEOQZSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1ccc(O[C@@H]2CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)nc1 ZINC001144902724 1075070073 /nfs/dbraw/zinc/07/00/73/1075070073.db2.gz IETFQFALYLEWAJ-QHSBEEBCSA-N 0 0 384.385 -1.896 20 0 GAADRN COc1ccc(O[C@@H]2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)nc1 ZINC001144902725 1075070093 /nfs/dbraw/zinc/07/00/93/1075070093.db2.gz IETFQFALYLEWAJ-RJZRQDKASA-N 0 0 384.385 -1.896 20 0 GAADRN COC(=O)c1ccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2CC2)c(N)c1 ZINC001144902738 1075070090 /nfs/dbraw/zinc/07/00/90/1075070090.db2.gz IKSINUZIHQOTSC-BFHYXJOUSA-N 0 0 382.369 -1.805 20 0 GAADRN COC(=O)c1ccc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2CC2)c(N)c1 ZINC001144902739 1075070042 /nfs/dbraw/zinc/07/00/42/1075070042.db2.gz IKSINUZIHQOTSC-HZSPNIEDSA-N 0 0 382.369 -1.805 20 0 GAADRN COC(=O)c1ccc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2CC2)c(N)c1 ZINC001144902740 1075070095 /nfs/dbraw/zinc/07/00/95/1075070095.db2.gz IKSINUZIHQOTSC-MELADBBJSA-N 0 0 382.369 -1.805 20 0 GAADRN COC(=O)c1ccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2CC2)c(N)c1 ZINC001144902741 1075070254 /nfs/dbraw/zinc/07/02/54/1075070254.db2.gz IKSINUZIHQOTSC-MGPQQGTHSA-N 0 0 382.369 -1.805 20 0 GAADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc1N1CCOCC1 ZINC001144902762 1075070233 /nfs/dbraw/zinc/07/02/33/1075070233.db2.gz IRTSSNGKCXQKCU-AEGPPILISA-N 0 0 384.385 -1.886 20 0 GAADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc1N1CCOCC1 ZINC001144902763 1075070259 /nfs/dbraw/zinc/07/02/59/1075070259.db2.gz IRTSSNGKCXQKCU-BPLDGKMQSA-N 0 0 384.385 -1.886 20 0 GAADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1N1CCOCC1 ZINC001144902764 1075070206 /nfs/dbraw/zinc/07/02/06/1075070206.db2.gz IRTSSNGKCXQKCU-NWANDNLSSA-N 0 0 384.385 -1.886 20 0 GAADRN COc1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc1N1CCOCC1 ZINC001144902765 1075070229 /nfs/dbraw/zinc/07/02/29/1075070229.db2.gz IRTSSNGKCXQKCU-VHDGCEQUSA-N 0 0 384.385 -1.886 20 0 GAADRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903027 1075070309 /nfs/dbraw/zinc/07/03/09/1075070309.db2.gz JDERUGRNOQBSIY-FAAHXZRKSA-N 0 0 380.397 -1.996 20 0 GAADRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903028 1075070283 /nfs/dbraw/zinc/07/02/83/1075070283.db2.gz JDERUGRNOQBSIY-NMFUWQPSSA-N 0 0 380.397 -1.996 20 0 GAADRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903029 1075070298 /nfs/dbraw/zinc/07/02/98/1075070298.db2.gz JDERUGRNOQBSIY-REBRKWNGSA-N 0 0 380.397 -1.996 20 0 GAADRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903030 1075070267 /nfs/dbraw/zinc/07/02/67/1075070267.db2.gz JDERUGRNOQBSIY-UQOMUDLDSA-N 0 0 380.397 -1.996 20 0 GAADRN COc1ccccc1C1(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCOCC1 ZINC001144903116 1075070238 /nfs/dbraw/zinc/07/02/38/1075070238.db2.gz ITNWNQNYBHNLLJ-CWRNSKLLSA-N 0 0 397.424 -1.496 20 0 GAADRN COc1ccccc1C1(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCOCC1 ZINC001144903117 1075070320 /nfs/dbraw/zinc/07/03/20/1075070320.db2.gz ITNWNQNYBHNLLJ-FVQBIDKESA-N 0 0 397.424 -1.496 20 0 GAADRN COc1ccccc1C1(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCOCC1 ZINC001144903118 1075070250 /nfs/dbraw/zinc/07/02/50/1075070250.db2.gz ITNWNQNYBHNLLJ-NUEKZKHPSA-N 0 0 397.424 -1.496 20 0 GAADRN COc1ccccc1C1(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCOCC1 ZINC001144903119 1075070327 /nfs/dbraw/zinc/07/03/27/1075070327.db2.gz ITNWNQNYBHNLLJ-VNQPRFMTSA-N 0 0 397.424 -1.496 20 0 GAADRN COC(=O)c1cccc(C(=O)OC)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903140 1075070274 /nfs/dbraw/zinc/07/02/74/1075070274.db2.gz KAXLTBMLPGQRQN-ADEWGFFLSA-N 0 0 385.325 -2.158 20 0 GAADRN COC(=O)c1cccc(C(=O)OC)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903154 1075070303 /nfs/dbraw/zinc/07/03/03/1075070303.db2.gz KAXLTBMLPGQRQN-MVWJERBFSA-N 0 0 385.325 -2.158 20 0 GAADRN COC(=O)c1cccc(C(=O)OC)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903157 1075070244 /nfs/dbraw/zinc/07/02/44/1075070244.db2.gz KAXLTBMLPGQRQN-YUSALJHKSA-N 0 0 385.325 -2.158 20 0 GAADRN COC(=O)c1cccc(C(=O)OC)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903159 1075070290 /nfs/dbraw/zinc/07/02/90/1075070290.db2.gz KAXLTBMLPGQRQN-ZMLRMANQSA-N 0 0 385.325 -2.158 20 0 GAADRN O=C(NCc1ccccc1OC1CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903263 1075070544 /nfs/dbraw/zinc/07/05/44/1075070544.db2.gz KCRMENPOHHFTPA-CWRNSKLLSA-N 0 0 383.397 -1.495 20 0 GAADRN O=C(NCc1ccccc1OC1CCOCC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903264 1075070564 /nfs/dbraw/zinc/07/05/64/1075070564.db2.gz KCRMENPOHHFTPA-FVQBIDKESA-N 0 0 383.397 -1.495 20 0 GAADRN O=C(NCc1ccccc1OC1CCOCC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903266 1075070548 /nfs/dbraw/zinc/07/05/48/1075070548.db2.gz KCRMENPOHHFTPA-NUEKZKHPSA-N 0 0 383.397 -1.495 20 0 GAADRN O=C(NCc1ccccc1OC1CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903268 1075070566 /nfs/dbraw/zinc/07/05/66/1075070566.db2.gz KCRMENPOHHFTPA-VNQPRFMTSA-N 0 0 383.397 -1.495 20 0 GAADRN O=C(Nc1ccccc1I)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903411 1075070556 /nfs/dbraw/zinc/07/05/56/1075070556.db2.gz KGRGLMYVFSTXPX-IVZWLZJFSA-N 0 0 395.149 -1.126 20 0 GAADRN O=C(Nc1ccccc1I)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903414 1075070558 /nfs/dbraw/zinc/07/05/58/1075070558.db2.gz KGRGLMYVFSTXPX-KXUCPTDWSA-N 0 0 395.149 -1.126 20 0 GAADRN O=C(Nc1ccccc1I)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903415 1075070546 /nfs/dbraw/zinc/07/05/46/1075070546.db2.gz KGRGLMYVFSTXPX-LPEHRKFASA-N 0 0 395.149 -1.126 20 0 GAADRN O=C(Nc1ccccc1I)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903417 1075070578 /nfs/dbraw/zinc/07/05/78/1075070578.db2.gz KGRGLMYVFSTXPX-OPRDCNLKSA-N 0 0 395.149 -1.126 20 0 GAADRN COC(=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144903523 1075070582 /nfs/dbraw/zinc/07/05/82/1075070582.db2.gz LAKQMRPPVPXTIL-GISOBZBCSA-N 0 0 379.362 -2.980 20 0 GAADRN COC(=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144903524 1075070585 /nfs/dbraw/zinc/07/05/85/1075070585.db2.gz LAKQMRPPVPXTIL-MPKXCIJOSA-N 0 0 379.362 -2.980 20 0 GAADRN COC(=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144903525 1075070561 /nfs/dbraw/zinc/07/05/61/1075070561.db2.gz LAKQMRPPVPXTIL-OINDSLJFSA-N 0 0 379.362 -2.980 20 0 GAADRN COC(=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144903526 1075070570 /nfs/dbraw/zinc/07/05/70/1075070570.db2.gz LAKQMRPPVPXTIL-SCVMZPAESA-N 0 0 379.362 -2.980 20 0 GAADRN CN(CCCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144903595 1075070794 /nfs/dbraw/zinc/07/07/94/1075070794.db2.gz LWYVWEPCMFLVGS-GRYCIOLGSA-N 0 0 378.422 -1.606 20 0 GAADRN CN(CCCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)OC(C)(C)C ZINC001144903596 1075070826 /nfs/dbraw/zinc/07/08/26/1075070826.db2.gz LWYVWEPCMFLVGS-IJLUTSLNSA-N 0 0 378.422 -1.606 20 0 GAADRN CN(CCCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144903597 1075070838 /nfs/dbraw/zinc/07/08/38/1075070838.db2.gz LWYVWEPCMFLVGS-QJPTWQEYSA-N 0 0 378.422 -1.606 20 0 GAADRN CN(CCCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OC(C)(C)C ZINC001144903598 1075070771 /nfs/dbraw/zinc/07/07/71/1075070771.db2.gz LWYVWEPCMFLVGS-SDDRHHMPSA-N 0 0 378.422 -1.606 20 0 GAADRN O=C(C(=O)N1CCn2ncc(Br)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903723 1075070802 /nfs/dbraw/zinc/07/08/02/1075070802.db2.gz LBELFMMTQSTKJR-IVZWLZJFSA-N 0 0 378.179 -2.368 20 0 GAADRN O=C(C(=O)N1CCn2ncc(Br)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903724 1075070790 /nfs/dbraw/zinc/07/07/90/1075070790.db2.gz LBELFMMTQSTKJR-KXUCPTDWSA-N 0 0 378.179 -2.368 20 0 GAADRN O=C(C(=O)N1CCn2ncc(Br)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903725 1075070831 /nfs/dbraw/zinc/07/08/31/1075070831.db2.gz LBELFMMTQSTKJR-LPEHRKFASA-N 0 0 378.179 -2.368 20 0 GAADRN O=C(C(=O)N1CCn2ncc(Br)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903726 1075070781 /nfs/dbraw/zinc/07/07/81/1075070781.db2.gz LBELFMMTQSTKJR-OPRDCNLKSA-N 0 0 378.179 -2.368 20 0 GAADRN CCc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903727 1075070748 /nfs/dbraw/zinc/07/07/48/1075070748.db2.gz LBPVUUMNBLMHNB-FRRDWIJNSA-N 0 0 375.399 -1.765 20 0 GAADRN CCc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903728 1075070804 /nfs/dbraw/zinc/07/08/04/1075070804.db2.gz LBPVUUMNBLMHNB-JHJVBQTASA-N 0 0 375.399 -1.765 20 0 GAADRN CCc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903729 1075070835 /nfs/dbraw/zinc/07/08/35/1075070835.db2.gz LBPVUUMNBLMHNB-RWMBFGLXSA-N 0 0 375.399 -1.765 20 0 GAADRN CCc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903730 1075070768 /nfs/dbraw/zinc/07/07/68/1075070768.db2.gz LBPVUUMNBLMHNB-YNEHKIRRSA-N 0 0 375.399 -1.765 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903744 1075070841 /nfs/dbraw/zinc/07/08/41/1075070841.db2.gz LNLCUDKLQUPHAB-CBNCNZKNSA-N 0 0 384.816 -1.226 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903746 1075070798 /nfs/dbraw/zinc/07/07/98/1075070798.db2.gz LNLCUDKLQUPHAB-FQOPFDEGSA-N 0 0 384.816 -1.226 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903748 1075070774 /nfs/dbraw/zinc/07/07/74/1075070774.db2.gz LNLCUDKLQUPHAB-MHCWDXNASA-N 0 0 384.816 -1.226 20 0 GAADRN O=C(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903750 1075070778 /nfs/dbraw/zinc/07/07/78/1075070778.db2.gz LNLCUDKLQUPHAB-ZOBYWKAUSA-N 0 0 384.816 -1.226 20 0 GAADRN CCOC(=O)c1ccc(OCC)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903894 1075070995 /nfs/dbraw/zinc/07/09/95/1075070995.db2.gz MEWBSEGDNPGHMV-BFHYXJOUSA-N 0 0 385.369 -1.155 20 0 GAADRN CCCn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n(CCC)c1=O ZINC001144903900 1075071000 /nfs/dbraw/zinc/07/10/00/1075071000.db2.gz NKXYZJGIIIWXAY-JIMOISOXSA-N 0 0 387.389 -2.587 20 0 GAADRN CCCn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n(CCC)c1=O ZINC001144903902 1075071038 /nfs/dbraw/zinc/07/10/38/1075071038.db2.gz NKXYZJGIIIWXAY-OASPWFOLSA-N 0 0 387.389 -2.587 20 0 GAADRN CCOC(=O)c1ccc(OCC)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903903 1075070975 /nfs/dbraw/zinc/07/09/75/1075070975.db2.gz MEWBSEGDNPGHMV-HZSPNIEDSA-N 0 0 385.369 -1.155 20 0 GAADRN CCOC(=O)c1ccc(OCC)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903904 1075071032 /nfs/dbraw/zinc/07/10/32/1075071032.db2.gz MEWBSEGDNPGHMV-MELADBBJSA-N 0 0 385.369 -1.155 20 0 GAADRN CCCn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n(CCC)c1=O ZINC001144903906 1075070979 /nfs/dbraw/zinc/07/09/79/1075070979.db2.gz NKXYZJGIIIWXAY-TVYUQYBPSA-N 0 0 387.389 -2.587 20 0 GAADRN CCOC(=O)c1ccc(OCC)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903907 1075071042 /nfs/dbraw/zinc/07/10/42/1075071042.db2.gz MEWBSEGDNPGHMV-MGPQQGTHSA-N 0 0 385.369 -1.155 20 0 GAADRN CCCn1c(=O)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n(CCC)c1=O ZINC001144903908 1075071035 /nfs/dbraw/zinc/07/10/35/1075071035.db2.gz NKXYZJGIIIWXAY-ZWKOPEQDSA-N 0 0 387.389 -2.587 20 0 GAADRN Cc1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n(-c2ccccc2)n1C ZINC001144904071 1075071007 /nfs/dbraw/zinc/07/10/07/1075071007.db2.gz OAOQRWKEZJPCQB-FPMFFAJLSA-N 0 0 379.369 -1.933 20 0 GAADRN Cc1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(=O)n(-c2ccccc2)n1C ZINC001144904072 1075070965 /nfs/dbraw/zinc/07/09/65/1075070965.db2.gz OAOQRWKEZJPCQB-IACUBPJLSA-N 0 0 379.369 -1.933 20 0 GAADRN Cc1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(=O)n(-c2ccccc2)n1C ZINC001144904075 1075071020 /nfs/dbraw/zinc/07/10/20/1075071020.db2.gz OAOQRWKEZJPCQB-KWCYVHTRSA-N 0 0 379.369 -1.933 20 0 GAADRN Cc1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(=O)n(-c2ccccc2)n1C ZINC001144904077 1075070957 /nfs/dbraw/zinc/07/09/57/1075070957.db2.gz OAOQRWKEZJPCQB-MRVWCRGKSA-N 0 0 379.369 -1.933 20 0 GAADRN CCOC(=O)CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)OCC ZINC001144904078 1075070988 /nfs/dbraw/zinc/07/09/88/1075070988.db2.gz OARCGHNLCRFUEF-BSJXLVFVSA-N 0 0 379.362 -2.978 20 0 GAADRN CCOC(=O)CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OCC ZINC001144904079 1075070984 /nfs/dbraw/zinc/07/09/84/1075070984.db2.gz OARCGHNLCRFUEF-FSZOTQKASA-N 0 0 379.362 -2.978 20 0 GAADRN CCOC(=O)CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)OCC ZINC001144904081 1075071016 /nfs/dbraw/zinc/07/10/16/1075071016.db2.gz OARCGHNLCRFUEF-GAIPPQHRSA-N 0 0 379.362 -2.978 20 0 GAADRN CCOC(=O)CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)OCC ZINC001144904082 1075071012 /nfs/dbraw/zinc/07/10/12/1075071012.db2.gz OARCGHNLCRFUEF-LUTQBAROSA-N 0 0 379.362 -2.978 20 0 GAADRN COc1cccc([C@@H]2CSCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1 ZINC001144904153 1075071025 /nfs/dbraw/zinc/07/10/25/1075071025.db2.gz MKIRXEYLBBYWTC-BYNSBNAKSA-N 0 0 385.438 -1.044 20 0 GAADRN COc1cccc([C@@H]2CSCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1 ZINC001144904157 1075071029 /nfs/dbraw/zinc/07/10/29/1075071029.db2.gz MKIRXEYLBBYWTC-GBJTYRQASA-N 0 0 385.438 -1.044 20 0 GAADRN COc1cccc([C@@H]2CSCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1 ZINC001144904159 1075070992 /nfs/dbraw/zinc/07/09/92/1075070992.db2.gz MKIRXEYLBBYWTC-LJISPDSOSA-N 0 0 385.438 -1.044 20 0 GAADRN COc1cccc([C@@H]2CSCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1 ZINC001144904160 1075070970 /nfs/dbraw/zinc/07/09/70/1075070970.db2.gz MKIRXEYLBBYWTC-ZQDZILKHSA-N 0 0 385.438 -1.044 20 0 GAADRN CCOC(=O)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1F ZINC001144904176 1075071206 /nfs/dbraw/zinc/07/12/06/1075071206.db2.gz MMAJQEBCQTZOFR-AEGPPILISA-N 0 0 387.360 -1.096 20 0 GAADRN CCOC(=O)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1F ZINC001144904181 1075071238 /nfs/dbraw/zinc/07/12/38/1075071238.db2.gz MMAJQEBCQTZOFR-BPLDGKMQSA-N 0 0 387.360 -1.096 20 0 GAADRN CCOC(=O)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1F ZINC001144904184 1075071232 /nfs/dbraw/zinc/07/12/32/1075071232.db2.gz MMAJQEBCQTZOFR-NWANDNLSSA-N 0 0 387.360 -1.096 20 0 GAADRN CCOC(=O)CCc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1F ZINC001144904187 1075071243 /nfs/dbraw/zinc/07/12/43/1075071243.db2.gz MMAJQEBCQTZOFR-VHDGCEQUSA-N 0 0 387.360 -1.096 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144904282 1075071252 /nfs/dbraw/zinc/07/12/52/1075071252.db2.gz PBSJXDDWYNDNGL-GSVCSZOMSA-N 0 0 384.360 -2.200 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144904285 1075071247 /nfs/dbraw/zinc/07/12/47/1075071247.db2.gz PBSJXDDWYNDNGL-KQURDKLPSA-N 0 0 384.360 -2.200 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144904288 1075071249 /nfs/dbraw/zinc/07/12/49/1075071249.db2.gz PBSJXDDWYNDNGL-NZPIUUIZSA-N 0 0 384.360 -2.200 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144904290 1075071229 /nfs/dbraw/zinc/07/12/29/1075071229.db2.gz PBSJXDDWYNDNGL-OLRMPSLUSA-N 0 0 384.360 -2.200 20 0 GAADRN COC(=O)[C@H](COCc1ccccc1)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144904499 1075071235 /nfs/dbraw/zinc/07/12/35/1075071235.db2.gz PGYMSCYYVDPWHQ-IGQOVBAYSA-N 0 0 385.369 -2.495 20 0 GAADRN COC(=O)[C@H](COCc1ccccc1)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144904501 1075071240 /nfs/dbraw/zinc/07/12/40/1075071240.db2.gz PGYMSCYYVDPWHQ-REWJHTLYSA-N 0 0 385.369 -2.495 20 0 GAADRN COC(=O)[C@H](COCc1ccccc1)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144904502 1075071212 /nfs/dbraw/zinc/07/12/12/1075071212.db2.gz PGYMSCYYVDPWHQ-RFQIPJPRSA-N 0 0 385.369 -2.495 20 0 GAADRN COC(=O)[C@H](COCc1ccccc1)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144904503 1075071200 /nfs/dbraw/zinc/07/12/00/1075071200.db2.gz PGYMSCYYVDPWHQ-XDQVBPFNSA-N 0 0 385.369 -2.495 20 0 GAADRN O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905063 1075071405 /nfs/dbraw/zinc/07/14/05/1075071405.db2.gz QTAQNIMQZCLZSS-HDEZJCGLSA-N 0 0 394.424 -1.815 20 0 GAADRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905129 1075071484 /nfs/dbraw/zinc/07/14/84/1075071484.db2.gz PKISAIUOUJVPEW-BFHYXJOUSA-N 0 0 382.369 -2.258 20 0 GAADRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905133 1075071446 /nfs/dbraw/zinc/07/14/46/1075071446.db2.gz PKISAIUOUJVPEW-HZSPNIEDSA-N 0 0 382.369 -2.258 20 0 GAADRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905136 1075071501 /nfs/dbraw/zinc/07/15/01/1075071501.db2.gz PKISAIUOUJVPEW-MELADBBJSA-N 0 0 382.369 -2.258 20 0 GAADRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905140 1075071421 /nfs/dbraw/zinc/07/14/21/1075071421.db2.gz PKISAIUOUJVPEW-MGPQQGTHSA-N 0 0 382.369 -2.258 20 0 GAADRN O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905171 1075071473 /nfs/dbraw/zinc/07/14/73/1075071473.db2.gz QTAQNIMQZCLZSS-NXNVCVFFSA-N 0 0 394.424 -1.815 20 0 GAADRN O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905176 1075071506 /nfs/dbraw/zinc/07/15/06/1075071506.db2.gz QTAQNIMQZCLZSS-XJNFMUPTSA-N 0 0 394.424 -1.815 20 0 GAADRN O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905181 1075071465 /nfs/dbraw/zinc/07/14/65/1075071465.db2.gz QTAQNIMQZCLZSS-XOSAIJSUSA-N 0 0 394.424 -1.815 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001144905297 1075071489 /nfs/dbraw/zinc/07/14/89/1075071489.db2.gz QARTUMGAMCWOOB-HHHUOAJASA-N 0 0 392.405 -2.619 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001144905300 1075071442 /nfs/dbraw/zinc/07/14/42/1075071442.db2.gz QARTUMGAMCWOOB-MTVMDMGHSA-N 0 0 392.405 -2.619 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001144905302 1075071435 /nfs/dbraw/zinc/07/14/35/1075071435.db2.gz QARTUMGAMCWOOB-PREPNJAASA-N 0 0 392.405 -2.619 20 0 GAADRN CO[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001144905303 1075071459 /nfs/dbraw/zinc/07/14/59/1075071459.db2.gz QARTUMGAMCWOOB-VSSNEEPJSA-N 0 0 392.405 -2.619 20 0 GAADRN O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905472 1075071413 /nfs/dbraw/zinc/07/14/13/1075071413.db2.gz BHPKOQOVETWLKQ-BYCMXARLSA-N 0 0 394.336 -1.669 20 0 GAADRN O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905473 1075071510 /nfs/dbraw/zinc/07/15/10/1075071510.db2.gz BHPKOQOVETWLKQ-KCPJHIHWSA-N 0 0 394.336 -1.669 20 0 GAADRN O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905474 1075071743 /nfs/dbraw/zinc/07/17/43/1075071743.db2.gz BHPKOQOVETWLKQ-NILFDRSVSA-N 0 0 394.336 -1.669 20 0 GAADRN O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905475 1075071756 /nfs/dbraw/zinc/07/17/56/1075071756.db2.gz BHPKOQOVETWLKQ-TUKIKUTGSA-N 0 0 394.336 -1.669 20 0 GAADRN O=C(NC1CCN(c2ncccc2Cl)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905627 1075071724 /nfs/dbraw/zinc/07/17/24/1075071724.db2.gz QYIKNBBWGWATPP-FRRDWIJNSA-N 0 0 387.820 -1.536 20 0 GAADRN O=C(NC1CCN(c2ncccc2Cl)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905628 1075071750 /nfs/dbraw/zinc/07/17/50/1075071750.db2.gz QYIKNBBWGWATPP-JHJVBQTASA-N 0 0 387.820 -1.536 20 0 GAADRN O=C(NC1CCN(c2ncccc2Cl)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905629 1075071716 /nfs/dbraw/zinc/07/17/16/1075071716.db2.gz QYIKNBBWGWATPP-RWMBFGLXSA-N 0 0 387.820 -1.536 20 0 GAADRN O=C(NC1CCN(c2ncccc2Cl)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905630 1075071746 /nfs/dbraw/zinc/07/17/46/1075071746.db2.gz QYIKNBBWGWATPP-YNEHKIRRSA-N 0 0 387.820 -1.536 20 0 GAADRN COCCOCCOCCOCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905655 1075071726 /nfs/dbraw/zinc/07/17/26/1075071726.db2.gz RMIFDMBLLPEGBH-FRRDWIJNSA-N 0 0 383.394 -3.557 20 0 GAADRN COCCOCCOCCOCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905656 1075071727 /nfs/dbraw/zinc/07/17/27/1075071727.db2.gz RMIFDMBLLPEGBH-JHJVBQTASA-N 0 0 383.394 -3.557 20 0 GAADRN COCCOCCOCCOCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905657 1075071753 /nfs/dbraw/zinc/07/17/53/1075071753.db2.gz RMIFDMBLLPEGBH-RWMBFGLXSA-N 0 0 383.394 -3.557 20 0 GAADRN COCCOCCOCCOCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905658 1075071703 /nfs/dbraw/zinc/07/17/03/1075071703.db2.gz RMIFDMBLLPEGBH-YNEHKIRRSA-N 0 0 383.394 -3.557 20 0 GAADRN CCN(CC)C(=O)N1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144905675 1075071707 /nfs/dbraw/zinc/07/17/07/1075071707.db2.gz RSLHCGGZAJJKDR-FRRDWIJNSA-N 0 0 375.422 -2.327 20 0 GAADRN CCN(CC)C(=O)N1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144905676 1075071701 /nfs/dbraw/zinc/07/17/01/1075071701.db2.gz RSLHCGGZAJJKDR-JHJVBQTASA-N 0 0 375.422 -2.327 20 0 GAADRN CCN(CC)C(=O)N1CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144905677 1075071733 /nfs/dbraw/zinc/07/17/33/1075071733.db2.gz RSLHCGGZAJJKDR-RWMBFGLXSA-N 0 0 375.422 -2.327 20 0 GAADRN CCN(CC)C(=O)N1CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144905678 1075071696 /nfs/dbraw/zinc/07/16/96/1075071696.db2.gz RSLHCGGZAJJKDR-YNEHKIRRSA-N 0 0 375.422 -2.327 20 0 GAADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905759 1075071477 /nfs/dbraw/zinc/07/14/77/1075071477.db2.gz QHWWFRKMUFSCLT-CSYMLDBXSA-N 0 0 376.406 -1.855 20 0 GAADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905760 1075071524 /nfs/dbraw/zinc/07/15/24/1075071524.db2.gz QHWWFRKMUFSCLT-IYKVGLELSA-N 0 0 376.406 -1.855 20 0 GAADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905762 1075071711 /nfs/dbraw/zinc/07/17/11/1075071711.db2.gz QHWWFRKMUFSCLT-WTPMCQDGSA-N 0 0 376.406 -1.855 20 0 GAADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905764 1075071713 /nfs/dbraw/zinc/07/17/13/1075071713.db2.gz QHWWFRKMUFSCLT-YBXAARCKSA-N 0 0 376.406 -1.855 20 0 GAADRN CCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2c1OCCO2 ZINC001144905781 1075071938 /nfs/dbraw/zinc/07/19/38/1075071938.db2.gz QRULGCIVNZTKEF-GRYCIOLGSA-N 0 0 399.352 -1.783 20 0 GAADRN CCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2c1OCCO2 ZINC001144905791 1075071943 /nfs/dbraw/zinc/07/19/43/1075071943.db2.gz QRULGCIVNZTKEF-IJLUTSLNSA-N 0 0 399.352 -1.783 20 0 GAADRN CCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2c1OCCO2 ZINC001144905794 1075071967 /nfs/dbraw/zinc/07/19/67/1075071967.db2.gz QRULGCIVNZTKEF-QJPTWQEYSA-N 0 0 399.352 -1.783 20 0 GAADRN CCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2c1OCCO2 ZINC001144905797 1075071997 /nfs/dbraw/zinc/07/19/97/1075071997.db2.gz QRULGCIVNZTKEF-SDDRHHMPSA-N 0 0 399.352 -1.783 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(OC)cc1Cl ZINC001144905799 1075071892 /nfs/dbraw/zinc/07/18/92/1075071892.db2.gz QSVDORNWPWRBCP-ADEWGFFLSA-N 0 0 391.760 -1.282 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(OC)cc1Cl ZINC001144905802 1075071916 /nfs/dbraw/zinc/07/19/16/1075071916.db2.gz QSVDORNWPWRBCP-MVWJERBFSA-N 0 0 391.760 -1.282 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(OC)cc1Cl ZINC001144905804 1075071991 /nfs/dbraw/zinc/07/19/91/1075071991.db2.gz QSVDORNWPWRBCP-YUSALJHKSA-N 0 0 391.760 -1.282 20 0 GAADRN COC(=O)c1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(OC)cc1Cl ZINC001144905807 1075072002 /nfs/dbraw/zinc/07/20/02/1075072002.db2.gz QSVDORNWPWRBCP-ZMLRMANQSA-N 0 0 391.760 -1.282 20 0 GAADRN C[C@@H]1C[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CN1C(=O)OC(C)(C)C ZINC001144905820 1075071934 /nfs/dbraw/zinc/07/19/34/1075071934.db2.gz QXHVOKHMKRKRGK-KSSYENDESA-N 0 0 390.433 -1.608 20 0 GAADRN C[C@@H]1C[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CN1C(=O)OC(C)(C)C ZINC001144905822 1075071920 /nfs/dbraw/zinc/07/19/20/1075071920.db2.gz QXHVOKHMKRKRGK-NZEXEKPDSA-N 0 0 390.433 -1.608 20 0 GAADRN C[C@@H]1C[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CN1C(=O)OC(C)(C)C ZINC001144905824 1075071988 /nfs/dbraw/zinc/07/19/88/1075071988.db2.gz QXHVOKHMKRKRGK-QNWJLWSRSA-N 0 0 390.433 -1.608 20 0 GAADRN C[C@@H]1C[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CN1C(=O)OC(C)(C)C ZINC001144905830 1075071983 /nfs/dbraw/zinc/07/19/83/1075071983.db2.gz QXHVOKHMKRKRGK-RXGFPQBGSA-N 0 0 390.433 -1.608 20 0 GAADRN COc1cc2c(cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)N(C(C)=O)CC2 ZINC001144905925 1075071896 /nfs/dbraw/zinc/07/18/96/1075071896.db2.gz REPOSZKOQYNXRO-AEGPPILISA-N 0 0 382.369 -1.813 20 0 GAADRN COc1cc2c(cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)N(C(C)=O)CC2 ZINC001144905965 1075071977 /nfs/dbraw/zinc/07/19/77/1075071977.db2.gz REPOSZKOQYNXRO-BPLDGKMQSA-N 0 0 382.369 -1.813 20 0 GAADRN COc1cc2c(cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)N(C(C)=O)CC2 ZINC001144905970 1075071971 /nfs/dbraw/zinc/07/19/71/1075071971.db2.gz REPOSZKOQYNXRO-NWANDNLSSA-N 0 0 382.369 -1.813 20 0 GAADRN COc1cc2c(cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)N(C(C)=O)CC2 ZINC001144905977 1075071962 /nfs/dbraw/zinc/07/19/62/1075071962.db2.gz REPOSZKOQYNXRO-VHDGCEQUSA-N 0 0 382.369 -1.813 20 0 GAADRN COCCCOc1ccc(F)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906531 1075072230 /nfs/dbraw/zinc/07/22/30/1075072230.db2.gz RVAXNRMDIYZSSV-FPMFFAJLSA-N 0 0 375.349 -1.176 20 0 GAADRN COCCCOc1ccc(F)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906535 1075072225 /nfs/dbraw/zinc/07/22/25/1075072225.db2.gz RVAXNRMDIYZSSV-IACUBPJLSA-N 0 0 375.349 -1.176 20 0 GAADRN COCCCOc1ccc(F)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906537 1075072167 /nfs/dbraw/zinc/07/21/67/1075072167.db2.gz RVAXNRMDIYZSSV-KWCYVHTRSA-N 0 0 375.349 -1.176 20 0 GAADRN COCCCOc1ccc(F)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906540 1075072173 /nfs/dbraw/zinc/07/21/73/1075072173.db2.gz RVAXNRMDIYZSSV-MRVWCRGKSA-N 0 0 375.349 -1.176 20 0 GAADRN CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906597 1075072176 /nfs/dbraw/zinc/07/21/76/1075072176.db2.gz UINWFMVMKAAXHJ-AUZPSNTRSA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906598 1075072221 /nfs/dbraw/zinc/07/22/21/1075072221.db2.gz UINWFMVMKAAXHJ-CDGCEXEKSA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906599 1075072169 /nfs/dbraw/zinc/07/21/69/1075072169.db2.gz UINWFMVMKAAXHJ-OIMNJJJWSA-N 0 0 377.434 -1.107 20 0 GAADRN CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906602 1075072180 /nfs/dbraw/zinc/07/21/80/1075072180.db2.gz UINWFMVMKAAXHJ-UZGDPCLZSA-N 0 0 377.434 -1.107 20 0 GAADRN COc1cc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc1OC1COC1 ZINC001144906749 1075072234 /nfs/dbraw/zinc/07/22/34/1075072234.db2.gz UWMRZNOEMZEAAW-BYCMXARLSA-N 0 0 385.369 -2.267 20 0 GAADRN COc1cc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc1OC1COC1 ZINC001144906758 1075072201 /nfs/dbraw/zinc/07/22/01/1075072201.db2.gz UWMRZNOEMZEAAW-KCPJHIHWSA-N 0 0 385.369 -2.267 20 0 GAADRN COc1cc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1OC1COC1 ZINC001144906761 1075072178 /nfs/dbraw/zinc/07/21/78/1075072178.db2.gz UWMRZNOEMZEAAW-NILFDRSVSA-N 0 0 385.369 -2.267 20 0 GAADRN COc1cc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc1OC1COC1 ZINC001144906763 1075072190 /nfs/dbraw/zinc/07/21/90/1075072190.db2.gz UWMRZNOEMZEAAW-TUKIKUTGSA-N 0 0 385.369 -2.267 20 0 GAADRN COCCC1(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCC(F)(F)CC1 ZINC001144906845 1075072171 /nfs/dbraw/zinc/07/21/71/1075072171.db2.gz HRRDAGKERZVZKO-GRYCIOLGSA-N 0 0 383.388 -1.021 20 0 GAADRN COCCC1(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCC(F)(F)CC1 ZINC001144906846 1075072182 /nfs/dbraw/zinc/07/21/82/1075072182.db2.gz HRRDAGKERZVZKO-IJLUTSLNSA-N 0 0 383.388 -1.021 20 0 GAADRN COCCC1(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC(F)(F)CC1 ZINC001144906853 1075072193 /nfs/dbraw/zinc/07/21/93/1075072193.db2.gz HRRDAGKERZVZKO-QJPTWQEYSA-N 0 0 383.388 -1.021 20 0 GAADRN COCCC1(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC(F)(F)CC1 ZINC001144906855 1075072164 /nfs/dbraw/zinc/07/21/64/1075072164.db2.gz HRRDAGKERZVZKO-SDDRHHMPSA-N 0 0 383.388 -1.021 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906913 1075072476 /nfs/dbraw/zinc/07/24/76/1075072476.db2.gz SYMDDFFCHBTNOK-HHHUOAJASA-N 0 0 394.396 -1.906 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906915 1075072504 /nfs/dbraw/zinc/07/25/04/1075072504.db2.gz SYMDDFFCHBTNOK-KKJSVHSVSA-N 0 0 394.396 -1.906 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906917 1075072532 /nfs/dbraw/zinc/07/25/32/1075072532.db2.gz SYMDDFFCHBTNOK-PREPNJAASA-N 0 0 394.396 -1.906 20 0 GAADRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906920 1075072534 /nfs/dbraw/zinc/07/25/34/1075072534.db2.gz SYMDDFFCHBTNOK-UHFZAUJKSA-N 0 0 394.396 -1.906 20 0 GAADRN COCCC1(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCS(=O)(=O)CC1 ZINC001144906954 1075072507 /nfs/dbraw/zinc/07/25/07/1075072507.db2.gz ILXFDUJBFAXPAL-GARJFASQSA-N 0 0 383.419 -3.269 20 0 GAADRN COCCC1(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCS(=O)(=O)CC1 ZINC001144906981 1075072495 /nfs/dbraw/zinc/07/24/95/1075072495.db2.gz ILXFDUJBFAXPAL-GMTAPVOTSA-N 0 0 383.419 -3.269 20 0 GAADRN COCCC1(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCS(=O)(=O)CC1 ZINC001144906983 1075072472 /nfs/dbraw/zinc/07/24/72/1075072472.db2.gz ILXFDUJBFAXPAL-HBNTYKKESA-N 0 0 383.419 -3.269 20 0 GAADRN COCCC1(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCS(=O)(=O)CC1 ZINC001144906984 1075072467 /nfs/dbraw/zinc/07/24/67/1075072467.db2.gz ILXFDUJBFAXPAL-OUAUKWLOSA-N 0 0 383.419 -3.269 20 0 GAADRN Cn1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1=O ZINC001144906987 1075072456 /nfs/dbraw/zinc/07/24/56/1075072456.db2.gz VUXDXAILUOJUID-DJLDLDEBSA-N 0 0 379.163 -2.270 20 0 GAADRN Cn1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1=O ZINC001144906988 1075072525 /nfs/dbraw/zinc/07/25/25/1075072525.db2.gz VUXDXAILUOJUID-HRDYMLBCSA-N 0 0 379.163 -2.270 20 0 GAADRN Cn1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1=O ZINC001144906990 1075072515 /nfs/dbraw/zinc/07/25/15/1075072515.db2.gz VUXDXAILUOJUID-IWSPIJDZSA-N 0 0 379.163 -2.270 20 0 GAADRN Cn1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1=O ZINC001144906991 1075072482 /nfs/dbraw/zinc/07/24/82/1075072482.db2.gz VUXDXAILUOJUID-XHNCKOQMSA-N 0 0 379.163 -2.270 20 0 GAADRN COC(=O)c1cnc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc2c1 ZINC001144907075 1075072522 /nfs/dbraw/zinc/07/25/22/1075072522.db2.gz UISVQVGUQSMTRS-BFHYXJOUSA-N 0 0 378.337 -1.396 20 0 GAADRN COC(=O)c1cnc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2c1 ZINC001144907079 1075072461 /nfs/dbraw/zinc/07/24/61/1075072461.db2.gz UISVQVGUQSMTRS-HZSPNIEDSA-N 0 0 378.337 -1.396 20 0 GAADRN COC(=O)c1cnc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc2c1 ZINC001144907083 1075072537 /nfs/dbraw/zinc/07/25/37/1075072537.db2.gz UISVQVGUQSMTRS-MELADBBJSA-N 0 0 378.337 -1.396 20 0 GAADRN COC(=O)c1cnc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2c1 ZINC001144907085 1075072512 /nfs/dbraw/zinc/07/25/12/1075072512.db2.gz UISVQVGUQSMTRS-MGPQQGTHSA-N 0 0 378.337 -1.396 20 0 GAADRN COC(=O)c1cccc([C@@H]2CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1 ZINC001144907127 1075072493 /nfs/dbraw/zinc/07/24/93/1075072493.db2.gz ULRIXQIINWVITL-BYNSBNAKSA-N 0 0 381.381 -1.219 20 0 GAADRN COC(=O)c1cccc([C@@H]2CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1 ZINC001144907128 1075072490 /nfs/dbraw/zinc/07/24/90/1075072490.db2.gz ULRIXQIINWVITL-GBJTYRQASA-N 0 0 381.381 -1.219 20 0 GAADRN COC(=O)c1cccc([C@@H]2CCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1 ZINC001144907129 1075072500 /nfs/dbraw/zinc/07/25/00/1075072500.db2.gz ULRIXQIINWVITL-LJISPDSOSA-N 0 0 381.381 -1.219 20 0 GAADRN COC(=O)c1cccc([C@@H]2CCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1 ZINC001144907130 1075072487 /nfs/dbraw/zinc/07/24/87/1075072487.db2.gz ULRIXQIINWVITL-ZQDZILKHSA-N 0 0 381.381 -1.219 20 0 GAADRN O=C(NCc1cccc(N2CCOCC2=O)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907308 1075072702 /nfs/dbraw/zinc/07/27/02/1075072702.db2.gz LIMBDSCYOOSMLC-AEGPPILISA-N 0 0 382.369 -2.690 20 0 GAADRN O=C(NCc1cccc(N2CCOCC2=O)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907310 1075072706 /nfs/dbraw/zinc/07/27/06/1075072706.db2.gz LIMBDSCYOOSMLC-BPLDGKMQSA-N 0 0 382.369 -2.690 20 0 GAADRN O=C(NCc1cccc(N2CCOCC2=O)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907312 1075072685 /nfs/dbraw/zinc/07/26/85/1075072685.db2.gz LIMBDSCYOOSMLC-NWANDNLSSA-N 0 0 382.369 -2.690 20 0 GAADRN O=C(NCc1cccc(N2CCOCC2=O)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907317 1075072700 /nfs/dbraw/zinc/07/27/00/1075072700.db2.gz LIMBDSCYOOSMLC-VHDGCEQUSA-N 0 0 382.369 -2.690 20 0 GAADRN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144907339 1075072710 /nfs/dbraw/zinc/07/27/10/1075072710.db2.gz XKGHWPACBIISCG-FRRDWIJNSA-N 0 0 375.399 -2.260 20 0 GAADRN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC001144907348 1075072694 /nfs/dbraw/zinc/07/26/94/1075072694.db2.gz XKGHWPACBIISCG-JHJVBQTASA-N 0 0 375.399 -2.260 20 0 GAADRN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144907351 1075072719 /nfs/dbraw/zinc/07/27/19/1075072719.db2.gz XKGHWPACBIISCG-RWMBFGLXSA-N 0 0 375.399 -2.260 20 0 GAADRN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144907355 1075072688 /nfs/dbraw/zinc/07/26/88/1075072688.db2.gz XKGHWPACBIISCG-YNEHKIRRSA-N 0 0 375.399 -2.260 20 0 GAADRN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907374 1075072680 /nfs/dbraw/zinc/07/26/80/1075072680.db2.gz XNTHWTKQCXFZCU-QLFBSQMISA-N 0 0 395.412 -2.306 20 0 GAADRN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907376 1075072697 /nfs/dbraw/zinc/07/26/97/1075072697.db2.gz XNTHWTKQCXFZCU-RBSFLKMASA-N 0 0 395.412 -2.306 20 0 GAADRN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907378 1075072717 /nfs/dbraw/zinc/07/27/17/1075072717.db2.gz XNTHWTKQCXFZCU-RRFJBIMHSA-N 0 0 395.412 -2.306 20 0 GAADRN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907381 1075072683 /nfs/dbraw/zinc/07/26/83/1075072683.db2.gz XNTHWTKQCXFZCU-SOUVJXGZSA-N 0 0 395.412 -2.306 20 0 GAADRN Cn1ncc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(Br)c1=O ZINC001144907429 1075072899 /nfs/dbraw/zinc/07/28/99/1075072899.db2.gz MHDAOYZPDOIECU-APQOSEDMSA-N 0 0 380.151 -2.875 20 0 GAADRN Cn1ncc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(Br)c1=O ZINC001144907430 1075072985 /nfs/dbraw/zinc/07/29/85/1075072985.db2.gz MHDAOYZPDOIECU-LPBLVHEISA-N 0 0 380.151 -2.875 20 0 GAADRN Cn1ncc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(Br)c1=O ZINC001144907431 1075072979 /nfs/dbraw/zinc/07/29/79/1075072979.db2.gz MHDAOYZPDOIECU-MHSYXAOVSA-N 0 0 380.151 -2.875 20 0 GAADRN Cn1ncc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(Br)c1=O ZINC001144907432 1075072972 /nfs/dbraw/zinc/07/29/72/1075072972.db2.gz MHDAOYZPDOIECU-UIISKDMLSA-N 0 0 380.151 -2.875 20 0 GAADRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907578 1075072977 /nfs/dbraw/zinc/07/29/77/1075072977.db2.gz WCZOFAPZNDIEMP-HQRZJTNHSA-N 0 0 387.360 -1.034 20 0 GAADRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907580 1075072968 /nfs/dbraw/zinc/07/29/68/1075072968.db2.gz WCZOFAPZNDIEMP-MMMKDXCPSA-N 0 0 387.360 -1.034 20 0 GAADRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907582 1075072987 /nfs/dbraw/zinc/07/29/87/1075072987.db2.gz WCZOFAPZNDIEMP-OBCWZRDOSA-N 0 0 387.360 -1.034 20 0 GAADRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907584 1075072880 /nfs/dbraw/zinc/07/28/80/1075072880.db2.gz WCZOFAPZNDIEMP-QMGNLALYSA-N 0 0 387.360 -1.034 20 0 GAADRN COC(=O)c1nn(C)c2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc12 ZINC001144907604 1075072931 /nfs/dbraw/zinc/07/29/31/1075072931.db2.gz WDBQRXQATJFHBL-CYZMBNFOSA-N 0 0 381.341 -2.058 20 0 GAADRN COC(=O)c1nn(C)c2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc12 ZINC001144907614 1075072960 /nfs/dbraw/zinc/07/29/60/1075072960.db2.gz WDBQRXQATJFHBL-KGYLQXTDSA-N 0 0 381.341 -2.058 20 0 GAADRN COC(=O)c1nn(C)c2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc21 ZINC001144907617 1075072917 /nfs/dbraw/zinc/07/29/17/1075072917.db2.gz WDBQRXQATJFHBL-RAIGVLPGSA-N 0 0 381.341 -2.058 20 0 GAADRN COC(=O)c1nn(C)c2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc12 ZINC001144907619 1075072945 /nfs/dbraw/zinc/07/29/45/1075072945.db2.gz WDBQRXQATJFHBL-WCFLWFBJSA-N 0 0 381.341 -2.058 20 0 GAADRN Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc2)n1 ZINC001144907776 1075072891 /nfs/dbraw/zinc/07/28/91/1075072891.db2.gz ZJJQEHXNZJIOJI-ARFHVFGLSA-N 0 0 377.397 -1.251 20 0 GAADRN Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2)n1 ZINC001144907777 1075072964 /nfs/dbraw/zinc/07/29/64/1075072964.db2.gz ZJJQEHXNZJIOJI-BZUAXINKSA-N 0 0 377.397 -1.251 20 0 GAADRN Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc2)n1 ZINC001144907778 1075072974 /nfs/dbraw/zinc/07/29/74/1075072974.db2.gz ZJJQEHXNZJIOJI-HRCADAONSA-N 0 0 377.397 -1.251 20 0 GAADRN Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2)n1 ZINC001144907779 1075072982 /nfs/dbraw/zinc/07/29/82/1075072982.db2.gz ZJJQEHXNZJIOJI-OWCLPIDISA-N 0 0 377.397 -1.251 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144907828 1075073190 /nfs/dbraw/zinc/07/31/90/1075073190.db2.gz ZZFMYEUCYPXFBA-SHPPOPEUSA-N 0 0 398.412 -2.888 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144907829 1075073178 /nfs/dbraw/zinc/07/31/78/1075073178.db2.gz ZZFMYEUCYPXFBA-UIBBOPPKSA-N 0 0 398.412 -2.888 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144907830 1075073147 /nfs/dbraw/zinc/07/31/47/1075073147.db2.gz ZZFMYEUCYPXFBA-WXYCVUISSA-N 0 0 398.412 -2.888 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144907831 1075073132 /nfs/dbraw/zinc/07/31/32/1075073132.db2.gz ZZFMYEUCYPXFBA-XABYNWHXSA-N 0 0 398.412 -2.888 20 0 GAADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907832 1075073144 /nfs/dbraw/zinc/07/31/44/1075073144.db2.gz ZZVNZXYVVCDNBS-FIQHERPVSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907833 1075073186 /nfs/dbraw/zinc/07/31/86/1075073186.db2.gz ZZVNZXYVVCDNBS-IRCOFANPSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907834 1075073107 /nfs/dbraw/zinc/07/31/07/1075073107.db2.gz ZZVNZXYVVCDNBS-NNYUYHANSA-N 0 0 392.405 -2.617 20 0 GAADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907835 1075073167 /nfs/dbraw/zinc/07/31/67/1075073167.db2.gz ZZVNZXYVVCDNBS-WHOHXGKFSA-N 0 0 392.405 -2.617 20 0 GAADRN CCC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)OCc1ccccc1 ZINC001144907874 1075073171 /nfs/dbraw/zinc/07/31/71/1075073171.db2.gz PBDMGPIGYCSRAA-APIJFGDWSA-N 0 0 383.397 -1.341 20 0 GAADRN CCC[C@@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OCc1ccccc1 ZINC001144907875 1075073153 /nfs/dbraw/zinc/07/31/53/1075073153.db2.gz PBDMGPIGYCSRAA-CBBWQLFWSA-N 0 0 383.397 -1.341 20 0 GAADRN CCC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)OCc1ccccc1 ZINC001144907876 1075073127 /nfs/dbraw/zinc/07/31/27/1075073127.db2.gz PBDMGPIGYCSRAA-KBUPBQIOSA-N 0 0 383.397 -1.341 20 0 GAADRN CCC[C@@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)OCc1ccccc1 ZINC001144907877 1075073182 /nfs/dbraw/zinc/07/31/82/1075073182.db2.gz PBDMGPIGYCSRAA-LXTVHRRPSA-N 0 0 383.397 -1.341 20 0 GAADRN O=C(NCc1ccc(OCC2CCOCC2)cc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907901 1075073158 /nfs/dbraw/zinc/07/31/58/1075073158.db2.gz PYDSKFVQEWSQFH-BRWVUGGUSA-N 0 0 397.424 -1.248 20 0 GAADRN O=C(NCc1ccc(OCC2CCOCC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907902 1075073134 /nfs/dbraw/zinc/07/31/34/1075073134.db2.gz PYDSKFVQEWSQFH-GVDBMIGSSA-N 0 0 397.424 -1.248 20 0 GAADRN O=C(NCc1ccc(OCC2CCOCC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907903 1075073119 /nfs/dbraw/zinc/07/31/19/1075073119.db2.gz PYDSKFVQEWSQFH-IXDOHACOSA-N 0 0 397.424 -1.248 20 0 GAADRN O=C(NCc1ccc(OCC2CCOCC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907904 1075073175 /nfs/dbraw/zinc/07/31/75/1075073175.db2.gz PYDSKFVQEWSQFH-YESZJQIVSA-N 0 0 397.424 -1.248 20 0 GAADRN COC(=O)Cc1c(F)ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1F ZINC001144907959 1075073372 /nfs/dbraw/zinc/07/33/72/1075073372.db2.gz XOXHJRPQAUUBHH-JIMOISOXSA-N 0 0 377.296 -1.737 20 0 GAADRN COC(=O)Cc1c(F)ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1F ZINC001144907961 1075073408 /nfs/dbraw/zinc/07/34/08/1075073408.db2.gz XOXHJRPQAUUBHH-OASPWFOLSA-N 0 0 377.296 -1.737 20 0 GAADRN COC(=O)Cc1c(F)ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1F ZINC001144907962 1075073455 /nfs/dbraw/zinc/07/34/55/1075073455.db2.gz XOXHJRPQAUUBHH-TVYUQYBPSA-N 0 0 377.296 -1.737 20 0 GAADRN COC(=O)Cc1c(F)ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1F ZINC001144907963 1075073396 /nfs/dbraw/zinc/07/33/96/1075073396.db2.gz XOXHJRPQAUUBHH-ZWKOPEQDSA-N 0 0 377.296 -1.737 20 0 GAADRN COc1ccccc1[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nnc(C)o1 ZINC001144908113 1075073438 /nfs/dbraw/zinc/07/34/38/1075073438.db2.gz SGZYAUSFGGADJA-DOERSZECSA-N 0 0 395.368 -1.764 20 0 GAADRN COc1ccccc1[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1nnc(C)o1 ZINC001144908114 1075073432 /nfs/dbraw/zinc/07/34/32/1075073432.db2.gz SGZYAUSFGGADJA-SCUASFONSA-N 0 0 395.368 -1.764 20 0 GAADRN COc1ccccc1[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1nnc(C)o1 ZINC001144908115 1075073445 /nfs/dbraw/zinc/07/34/45/1075073445.db2.gz SGZYAUSFGGADJA-VZZFWQQMSA-N 0 0 395.368 -1.764 20 0 GAADRN COc1ccccc1[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1nnc(C)o1 ZINC001144908116 1075073426 /nfs/dbraw/zinc/07/34/26/1075073426.db2.gz SGZYAUSFGGADJA-YXCITZCRSA-N 0 0 395.368 -1.764 20 0 GAADRN COC(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(C)c1F ZINC001144908164 1075073473 /nfs/dbraw/zinc/07/34/73/1075073473.db2.gz YVJCWAXNVJMWMR-GGZOMVNGSA-N 0 0 377.296 -1.358 20 0 GAADRN COC(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C)c1F ZINC001144908165 1075073449 /nfs/dbraw/zinc/07/34/49/1075073449.db2.gz YVJCWAXNVJMWMR-JFUSQASVSA-N 0 0 377.296 -1.358 20 0 GAADRN COC(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(C)c1F ZINC001144908166 1075073414 /nfs/dbraw/zinc/07/34/14/1075073414.db2.gz YVJCWAXNVJMWMR-KPXOXKRLSA-N 0 0 377.296 -1.358 20 0 GAADRN COC(=O)c1cc(F)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(C)c1F ZINC001144908167 1075073459 /nfs/dbraw/zinc/07/34/59/1075073459.db2.gz YVJCWAXNVJMWMR-XXILOJSOSA-N 0 0 377.296 -1.358 20 0 GAADRN O=C(NCC1(Cc2ccncc2)CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144908275 1075073636 /nfs/dbraw/zinc/07/36/36/1075073636.db2.gz UGIYIXGFSJEVGS-QLFBSQMISA-N 0 0 382.413 -1.819 20 0 GAADRN O=C(NCC1(Cc2ccncc2)CCOCC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908276 1075073650 /nfs/dbraw/zinc/07/36/50/1075073650.db2.gz UGIYIXGFSJEVGS-RBSFLKMASA-N 0 0 382.413 -1.819 20 0 GAADRN O=C(NCC1(Cc2ccncc2)CCOCC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144908277 1075073694 /nfs/dbraw/zinc/07/36/94/1075073694.db2.gz UGIYIXGFSJEVGS-RRFJBIMHSA-N 0 0 382.413 -1.819 20 0 GAADRN O=C(NCC1(Cc2ccncc2)CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144908278 1075073664 /nfs/dbraw/zinc/07/36/64/1075073664.db2.gz UGIYIXGFSJEVGS-SOUVJXGZSA-N 0 0 382.413 -1.819 20 0 GAADRN Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCOCC2)n1 ZINC001144908316 1075073712 /nfs/dbraw/zinc/07/37/12/1075073712.db2.gz VFORBNJFCFUVEY-AEGPPILISA-N 0 0 382.413 -1.801 20 0 GAADRN Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCOCC2)n1 ZINC001144908317 1075073690 /nfs/dbraw/zinc/07/36/90/1075073690.db2.gz VFORBNJFCFUVEY-BPLDGKMQSA-N 0 0 382.413 -1.801 20 0 GAADRN Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCOCC2)n1 ZINC001144908318 1075073668 /nfs/dbraw/zinc/07/36/68/1075073668.db2.gz VFORBNJFCFUVEY-NWANDNLSSA-N 0 0 382.413 -1.801 20 0 GAADRN Cc1cccc(C2(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCOCC2)n1 ZINC001144908319 1075073656 /nfs/dbraw/zinc/07/36/56/1075073656.db2.gz VFORBNJFCFUVEY-VHDGCEQUSA-N 0 0 382.413 -1.801 20 0 GAADRN O=C(NCc1ccnc(N2CCCCCC2=O)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144908327 1075073698 /nfs/dbraw/zinc/07/36/98/1075073698.db2.gz VNWSOSQUDNWXGZ-APHBMKBZSA-N 0 0 395.412 -1.751 20 0 GAADRN O=C(NCc1ccnc(N2CCCCCC2=O)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908328 1075073716 /nfs/dbraw/zinc/07/37/16/1075073716.db2.gz VNWSOSQUDNWXGZ-DAXOMENPSA-N 0 0 395.412 -1.751 20 0 GAADRN 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378.385 -1.863 20 0 GAADRN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001146619962 1075081917 /nfs/dbraw/zinc/08/19/17/1075081917.db2.gz XFLWLOYQGWXFOG-XJTKPRQNSA-N 0 0 396.440 -1.326 20 0 GAADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001146620207 1075081931 /nfs/dbraw/zinc/08/19/31/1075081931.db2.gz YFWBYWMDLLKERX-XJKCOSOUSA-N 0 0 379.417 -1.599 20 0 GAADRN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001146620855 1075081894 /nfs/dbraw/zinc/08/18/94/1075081894.db2.gz DWCGIHVREDBRBE-KYEXWDHISA-N 0 0 383.426 -1.626 20 0 GAADRN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001146620856 1075081904 /nfs/dbraw/zinc/08/19/04/1075081904.db2.gz DWCGIHVREDBRBE-RGCMKSIDSA-N 0 0 383.426 -1.626 20 0 GAADRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001146621046 1075081852 /nfs/dbraw/zinc/08/18/52/1075081852.db2.gz FTULDJVRTUWDTB-DDHJBXDOSA-N 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395.416 -2.362 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001146626534 1075081898 /nfs/dbraw/zinc/08/18/98/1075081898.db2.gz LQNFQWUMTYUVCG-AAJLLMFJSA-N 0 0 378.425 -1.119 20 0 GAADRN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001146626536 1075082221 /nfs/dbraw/zinc/08/22/21/1075082221.db2.gz LQNFQWUMTYUVCG-GFOCRRMGSA-N 0 0 378.425 -1.119 20 0 GAADRN O=C(CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)NCC(=O)OCc1ccccc1 ZINC001146626623 1075082138 /nfs/dbraw/zinc/08/21/38/1075082138.db2.gz NIDFRBOEZZAMLO-CKEIUWERSA-N 0 0 378.381 -1.625 20 0 GAADRN CC(=O)N1CC2(C1)CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[C@H]2C(=O)N(C)C ZINC001146627050 1075082209 /nfs/dbraw/zinc/08/22/09/1075082209.db2.gz MMSCZWCSRIXWBJ-GBJTYRQASA-N 0 0 381.429 -2.206 20 0 GAADRN CC(=O)N1CC2(C1)CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[C@@H]2C(=O)N(C)C ZINC001146627052 1075082225 /nfs/dbraw/zinc/08/22/25/1075082225.db2.gz MMSCZWCSRIXWBJ-KBUPBQIOSA-N 0 0 381.429 -2.206 20 0 GAADRN O=C(NC1CCN(S(=O)(=O)c2ccccn2)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146628427 1075081308 /nfs/dbraw/zinc/08/13/08/1075081308.db2.gz GRWVCKUPFCNDOF-IIAWOOMASA-N 0 0 397.453 -1.236 20 0 GAADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C(=O)C1 ZINC001146629039 1075081282 /nfs/dbraw/zinc/08/12/82/1075081282.db2.gz UXVZASMFIUBORV-UMVBOHGHSA-N 0 0 399.444 -1.405 20 0 GAADRN NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001146695488 1075082148 /nfs/dbraw/zinc/08/21/48/1075082148.db2.gz SVUUXMGKCBVWJV-ZDUSSCGKSA-N 0 0 379.438 -1.055 20 0 GAADRN O=C(Cn1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)n1)N1CCOCC1 ZINC001146698821 1075082076 /nfs/dbraw/zinc/08/20/76/1075082076.db2.gz FMJHQMWGAIASIN-UHFFFAOYSA-N 0 0 378.389 -1.349 20 0 GAADRN O=C(NC[C@]1(OCCO)CCOC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146731255 1075082057 /nfs/dbraw/zinc/08/20/57/1075082057.db2.gz DDPNAPPGZQWNSW-DVOMOZLQSA-N 0 0 390.458 -1.694 20 0 GAADRN 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CS(=O)(=O)Nc1cccc(CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC001156620724 1073921611 /nfs/dbraw/zinc/92/16/11/1073921611.db2.gz FXWVVQPASFLPQS-ZDUSSCGKSA-N 0 0 388.471 -1.039 20 0 GAADRN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001156620957 1073921662 /nfs/dbraw/zinc/92/16/62/1073921662.db2.gz GWYGHWZKCBZKSA-LLVKDONJSA-N 0 0 380.430 -1.045 20 0 GAADRN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001156620961 1073922446 /nfs/dbraw/zinc/92/24/46/1073922446.db2.gz GWYGHWZKCBZKSA-NSHDSACASA-N 0 0 380.430 -1.045 20 0 GAADRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001156621037 1073922311 /nfs/dbraw/zinc/92/23/11/1073922311.db2.gz HZATWJFAIGMVHI-NEPJUHHUSA-N 0 0 380.492 -1.591 20 0 GAADRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001156621040 1073922286 /nfs/dbraw/zinc/92/22/86/1073922286.db2.gz HZATWJFAIGMVHI-NWDGAFQWSA-N 0 0 380.492 -1.591 20 0 GAADRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 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Cn1cc([C@@H]2[C@@H](C(=O)N3CCN4CCOC[C@]4(CO)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001156866219 1073922908 /nfs/dbraw/zinc/92/29/08/1073922908.db2.gz GAWNZKHQFKIKEI-ATNYBXOESA-N 0 0 393.444 -2.184 20 0 GAADRN C[C@@H]1O[C@@H](OCCNC(=O)c2c[nH]c3c(c2=O)CCCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001156910583 1073922988 /nfs/dbraw/zinc/92/29/88/1073922988.db2.gz FFMWUCHGVJUAQN-GAUHXHAKSA-N 0 0 382.413 -1.172 20 0 GAADRN COc1nc(Nc2cc(=O)n(C)c(=O)n2C)nc(N2CCn3ccnc3C2)n1 ZINC001156962436 1073922832 /nfs/dbraw/zinc/92/28/32/1073922832.db2.gz UPIINGICVFFHDX-UHFFFAOYSA-N 0 0 385.388 -1.340 20 0 GAADRN COc1ccc2nc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cn2c1 ZINC001157088705 1073922940 /nfs/dbraw/zinc/92/29/40/1073922940.db2.gz KQFSMTBICPPFKT-NLYHGNEKSA-N 0 0 381.385 -1.083 20 0 GAADRN COC(=O)c1cc(S(N)(=O)=O)cnc1NCCNC(=O)N1CCOCC1 ZINC001157108897 1073922887 /nfs/dbraw/zinc/92/28/87/1073922887.db2.gz BEHBAMYEGNCKTH-UHFFFAOYSA-N 0 0 387.418 -1.031 20 0 GAADRN CCOC(=O)c1cnn2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc12 ZINC001157146560 1073923619 /nfs/dbraw/zinc/92/36/19/1073923619.db2.gz OYQROWKDJHEDGY-CVXDVXMKSA-N 0 0 395.368 -1.959 20 0 GAADRN CCOC(=O)c1cnn2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc12 ZINC001157146561 1073923726 /nfs/dbraw/zinc/92/37/26/1073923726.db2.gz OYQROWKDJHEDGY-LYUDMSCLSA-N 0 0 395.368 -1.959 20 0 GAADRN Cn1nc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c2cc(Br)cnc21 ZINC001157216358 1073923670 /nfs/dbraw/zinc/92/36/70/1073923670.db2.gz MRGPPUDPECNDBH-JBLDHEPKSA-N 0 0 381.238 -1.137 20 0 GAADRN Cn1nc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c2cc(Br)cnc21 ZINC001157216429 1073923863 /nfs/dbraw/zinc/92/38/63/1073923863.db2.gz MRGPPUDPECNDBH-JFGNBEQYSA-N 0 0 381.238 -1.137 20 0 GAADRN Cn1nc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c2cc(Br)cnc21 ZINC001157216430 1073923640 /nfs/dbraw/zinc/92/36/40/1073923640.db2.gz MRGPPUDPECNDBH-NHCYSSNCSA-N 0 0 381.238 -1.137 20 0 GAADRN Cn1nc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c2cc(Br)cnc21 ZINC001157216431 1073923734 /nfs/dbraw/zinc/92/37/34/1073923734.db2.gz MRGPPUDPECNDBH-SCVCMEIPSA-N 0 0 381.238 -1.137 20 0 GAADRN COc1ccc2c(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cnn2c1 ZINC001157235272 1073923772 /nfs/dbraw/zinc/92/37/72/1073923772.db2.gz UEMNQDFIJIXOSQ-NLYHGNEKSA-N 0 0 381.385 -1.083 20 0 GAADRN CCOC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)[C@@H](C)O ZINC001157267438 1073923830 /nfs/dbraw/zinc/92/38/30/1073923830.db2.gz PFRFCVWCFPAYBG-OLZOCXBDSA-N 0 0 396.448 -1.309 20 0 GAADRN OC[C@H]1C[C@@H](Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)[C@H](O)[C@@H]1O ZINC001157276274 1073923846 /nfs/dbraw/zinc/92/38/46/1073923846.db2.gz OXDLIJMIVGRVPN-KFZJALRRSA-N 0 0 395.460 -1.336 20 0 GAADRN O=C(c1ccc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc1)N1CCS(=O)(=O)CC1 ZINC001157284320 1073923879 /nfs/dbraw/zinc/92/38/79/1073923879.db2.gz UDSHMQGGKWSBAM-GBOPCIDUSA-N 0 0 385.442 -1.533 20 0 GAADRN 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/nfs/dbraw/zinc/95/13/49/1073951349.db2.gz WFERTYYFXHTMSC-YVEFUNNKSA-N 0 0 387.448 -1.066 20 0 GAADRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3nnn[n-]3)C2)C1=O ZINC001159491598 1073951240 /nfs/dbraw/zinc/95/12/40/1073951240.db2.gz FDGXJKBPPJZSJX-MEDUHNTESA-N 0 0 378.437 -2.001 20 0 GAADRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3nnn[n-]3)C2)C1=O ZINC001159491600 1073951445 /nfs/dbraw/zinc/95/14/45/1073951445.db2.gz FDGXJKBPPJZSJX-ZBEGNZNMSA-N 0 0 378.437 -2.001 20 0 GAADRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159530054 1073953132 /nfs/dbraw/zinc/95/31/32/1073953132.db2.gz OSXGRUNIRNPHNE-KBPBESRZSA-N 0 0 392.460 -1.124 20 0 GAADRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159530055 1073953305 /nfs/dbraw/zinc/95/33/05/1073953305.db2.gz OSXGRUNIRNPHNE-KGLIPLIRSA-N 0 0 392.460 -1.124 20 0 GAADRN CCN1CCN(CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C(=O)C1=O ZINC001159588055 1073953843 /nfs/dbraw/zinc/95/38/43/1073953843.db2.gz DFSMMQHDGFPQLR-UHFFFAOYSA-N 0 0 387.458 -1.517 20 0 GAADRN O=C(CN1CCS(=O)(=O)CC1)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001159589198 1075043169 /nfs/dbraw/zinc/04/31/69/1075043169.db2.gz XHOUMOGNMCHCMF-UHFFFAOYSA-N 0 0 380.488 -1.477 20 0 GAADRN O=C([C@@H]1COCN1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593346 1073953889 /nfs/dbraw/zinc/95/38/89/1073953889.db2.gz DEEXTMVEYFGGRM-AESZEHBQSA-N 0 0 394.453 -1.089 20 0 GAADRN NC(=O)c1cnc(Cl)nc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159597331 1073953902 /nfs/dbraw/zinc/95/39/02/1073953902.db2.gz CQSQONIAXNGJDL-VIFPVBQESA-N 0 0 381.780 -1.125 20 0 GAADRN NS(=O)(=O)c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc1 ZINC001159597726 1073953825 /nfs/dbraw/zinc/95/38/25/1073953825.db2.gz MIMVLLGBNGHQJX-NSHDSACASA-N 0 0 382.402 -1.625 20 0 GAADRN [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cc(N2CCOCC2)ncn1)C(=O)[O-] ZINC001159597929 1073953937 /nfs/dbraw/zinc/95/39/37/1073953937.db2.gz RYAGBTLRPHVSCH-ZDUSSCGKSA-N 0 0 389.416 -1.040 20 0 GAADRN NS(=O)(=O)c1cccnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159598308 1073953909 /nfs/dbraw/zinc/95/39/09/1073953909.db2.gz VSPSAMVRHNNELR-JTQLQIEISA-N 0 0 382.402 -1.625 20 0 GAADRN NC(=O)c1ncc(Cl)nc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159598331 1073953835 /nfs/dbraw/zinc/95/38/35/1073953835.db2.gz WVHKLAMDUSRYOV-QMMMGPOBSA-N 0 0 381.780 -1.125 20 0 GAADRN NC(=O)c1nc(Cl)cnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159599601 1073954557 /nfs/dbraw/zinc/95/45/57/1073954557.db2.gz FXNYPEWTFMRDCG-QMMMGPOBSA-N 0 0 381.780 -1.125 20 0 GAADRN CNS(=O)(=O)c1cccnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159599604 1073954582 /nfs/dbraw/zinc/95/45/82/1073954582.db2.gz GAAXZYRHASEFON-NSHDSACASA-N 0 0 396.429 -1.364 20 0 GAADRN [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccnc(N2CCOCC2)n1)C(=O)[O-] ZINC001159599868 1073954570 /nfs/dbraw/zinc/95/45/70/1073954570.db2.gz KUDXHABHFULDPW-ZDUSSCGKSA-N 0 0 389.416 -1.040 20 0 GAADRN CN1CC(=O)Nc2cnc(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc21 ZINC001159600180 1073954451 /nfs/dbraw/zinc/95/44/51/1073954451.db2.gz SOYRJMDKPDSXOJ-JTQLQIEISA-N 0 0 388.388 -1.489 20 0 GAADRN NC(=O)c1c(Cl)ncnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001159600367 1073954437 /nfs/dbraw/zinc/95/44/37/1073954437.db2.gz VCABGAYTUBPNLA-QMMMGPOBSA-N 0 0 381.780 -1.125 20 0 GAADRN NS(=O)(=O)c1ccnc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1 ZINC001159602507 1073954431 /nfs/dbraw/zinc/95/44/31/1073954431.db2.gz QKHQXMCREJRZKI-NSHDSACASA-N 0 0 382.402 -1.625 20 0 GAADRN CCNC(=O)c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nn1 ZINC001159602553 1073954381 /nfs/dbraw/zinc/95/43/81/1073954381.db2.gz SGNBGFSODUHYRF-LBPRGKRZSA-N 0 0 375.389 -1.127 20 0 GAADRN CNS(=O)(=O)c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc1 ZINC001159602798 1073954509 /nfs/dbraw/zinc/95/45/09/1073954509.db2.gz WLSODRXICBSLDU-LBPRGKRZSA-N 0 0 396.429 -1.364 20 0 GAADRN CN(C)C(=O)c1cncc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1 ZINC001159602828 1073954413 /nfs/dbraw/zinc/95/44/13/1073954413.db2.gz XUUDYDTXRVXKFD-NSHDSACASA-N 0 0 375.389 -1.175 20 0 GAADRN NS(=O)(=O)c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nn1 ZINC001159602834 1073954391 /nfs/dbraw/zinc/95/43/91/1073954391.db2.gz YBFPTXWLMZKQOL-VIFPVBQESA-N 0 0 383.390 -2.230 20 0 GAADRN Cc1cc2c(c(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])n1)C(=O)NC2=O ZINC001159602840 1073954518 /nfs/dbraw/zinc/95/45/18/1073954518.db2.gz YJZHHXAUHJGQHU-NSHDSACASA-N 0 0 386.368 -1.080 20 0 GAADRN COC(=O)c1ncnc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1OC ZINC001159604948 1073954397 /nfs/dbraw/zinc/95/43/97/1073954397.db2.gz GFSGOGZEYRBGNM-JTQLQIEISA-N 0 0 392.372 -1.082 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159611321 1073955206 /nfs/dbraw/zinc/95/52/06/1073955206.db2.gz YNIZJWOEWRGEGX-ZRGWGRIASA-N 0 0 399.455 -1.097 20 0 GAADRN CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)CN2CCN(S(C)(=O)=O)CC2)[nH]1 ZINC001159624273 1073955152 /nfs/dbraw/zinc/95/51/52/1073955152.db2.gz ILORHHBYZCAHLM-NEPJUHHUSA-N 0 0 386.478 -1.421 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159635391 1073955873 /nfs/dbraw/zinc/95/58/73/1073955873.db2.gz MTSZSQOHAHDYLC-LBPRGKRZSA-N 0 0 384.404 -1.697 20 0 GAADRN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159643456 1073955774 /nfs/dbraw/zinc/95/57/74/1073955774.db2.gz LYXQKXTWGSIYBT-KBXCAEBGSA-N 0 0 386.412 -1.071 20 0 GAADRN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159643457 1073955841 /nfs/dbraw/zinc/95/58/41/1073955841.db2.gz LYXQKXTWGSIYBT-KSSFIOAISA-N 0 0 386.412 -1.071 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654429 1073956843 /nfs/dbraw/zinc/95/68/43/1073956843.db2.gz MLIIPHXECUSDBS-LBPRGKRZSA-N 0 0 387.404 -1.716 20 0 GAADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CC2 ZINC001159663264 1073956942 /nfs/dbraw/zinc/95/69/42/1073956942.db2.gz HABMXCHWEQZAKH-LBPRGKRZSA-N 0 0 398.431 -1.423 20 0 GAADRN COC(=O)[C@@H](N)CC(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159737757 1073957526 /nfs/dbraw/zinc/95/75/26/1073957526.db2.gz MLDCLKPIVVLZEG-GLJUWKHASA-N 0 0 383.445 -1.009 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159738119 1073957564 /nfs/dbraw/zinc/95/75/64/1073957564.db2.gz PXYPFOXOTDGNNM-IGCXYCKISA-N 0 0 393.448 -1.817 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159746362 1073957615 /nfs/dbraw/zinc/95/76/15/1073957615.db2.gz MYDXVYJCSLSMJW-YNEHKIRRSA-N 0 0 375.364 -1.149 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159766005 1073957918 /nfs/dbraw/zinc/95/79/18/1073957918.db2.gz SJADOIPFENZFGY-MQYQWHSLSA-N 0 0 377.449 -1.293 20 0 GAADRN [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767796 1073958036 /nfs/dbraw/zinc/95/80/36/1073958036.db2.gz MIJOGRVPXOLJLB-MQYQWHSLSA-N 0 0 393.448 -1.961 20 0 GAADRN COC(=O)[C@@H](N)CC(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768116 1073958178 /nfs/dbraw/zinc/95/81/78/1073958178.db2.gz PCEVDSFQZRCWTF-KBXIAJHMSA-N 0 0 383.445 -1.153 20 0 GAADRN COC(=O)CNC(=O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001159823381 1073958715 /nfs/dbraw/zinc/95/87/15/1073958715.db2.gz HCSJZADSOBAEDS-UHFFFAOYSA-N 0 0 395.420 -2.332 20 0 GAADRN COC(=O)CNC(=O)CNc1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001159823961 1073958681 /nfs/dbraw/zinc/95/86/81/1073958681.db2.gz SUJPFNLUIXUISU-UHFFFAOYSA-N 0 0 394.432 -1.149 20 0 GAADRN COC(=O)CNC(=O)CNc1nc(OC)nc(N2CCn3ccnc3C2)n1 ZINC001159829333 1073958642 /nfs/dbraw/zinc/95/86/42/1073958642.db2.gz MPUZTOSYEMFTME-UHFFFAOYSA-N 0 0 376.377 -1.780 20 0 GAADRN COC(=O)CNC(=O)CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001159829787 1073958629 /nfs/dbraw/zinc/95/86/29/1073958629.db2.gz YSYIAGYLNCRUOQ-UHFFFAOYSA-N 0 0 384.414 -1.347 20 0 GAADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](CO)C1 ZINC001159873465 1073958601 /nfs/dbraw/zinc/95/86/01/1073958601.db2.gz GGGZZRHUZLQCQN-MNOVXSKESA-N 0 0 391.446 -1.660 20 0 GAADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](CO)C1 ZINC001159873466 1073958596 /nfs/dbraw/zinc/95/85/96/1073958596.db2.gz GGGZZRHUZLQCQN-QWRGUYRKSA-N 0 0 391.446 -1.660 20 0 GAADRN CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001159908129 1073958656 /nfs/dbraw/zinc/95/86/56/1073958656.db2.gz CLOZJQMRYHTHFB-NWDGAFQWSA-N 0 0 382.508 -1.863 20 0 GAADRN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1 ZINC001159915965 1073959335 /nfs/dbraw/zinc/95/93/35/1073959335.db2.gz NJCJLGFKLCGBJV-CYBMUJFWSA-N 0 0 398.485 -1.151 20 0 GAADRN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1 ZINC001159915966 1073959359 /nfs/dbraw/zinc/95/93/59/1073959359.db2.gz 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1074131558 /nfs/dbraw/zinc/13/15/58/1074131558.db2.gz HQJKEWJBBRDTCT-RMRHIDDWSA-N 0 0 397.464 -1.444 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cccnc4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC001254104407 1074131624 /nfs/dbraw/zinc/13/16/24/1074131624.db2.gz IEXPOPWBKUGZIK-TTZDDIAXSA-N 0 0 387.356 -1.682 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccncc4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104411 1074131617 /nfs/dbraw/zinc/13/16/17/1074131617.db2.gz IIGKHEGVSARTSM-TTZDDIAXSA-N 0 0 388.340 -1.802 20 0 GAADRN COC(=O)Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104416 1074131597 /nfs/dbraw/zinc/13/15/97/1074131597.db2.gz ISBOAVGWJIANHE-CIQGVGRVSA-N 0 0 383.317 -3.148 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccsc4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104420 1074131587 /nfs/dbraw/zinc/13/15/87/1074131587.db2.gz JCJDQEIRGUKLTJ-RMRHIDDWSA-N 0 0 393.381 -1.135 20 0 GAADRN CC1(c2cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)nn2)COC1 ZINC001254104432 1074131612 /nfs/dbraw/zinc/13/16/12/1074131612.db2.gz JPJXUZDCSVIRNX-UUIJZJDISA-N 0 0 381.345 -2.576 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C4CCOCC4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC001254104434 1074131498 /nfs/dbraw/zinc/13/14/98/1074131498.db2.gz JTRFLFITCGFYCF-TTZDDIAXSA-N 0 0 394.388 -1.850 20 0 GAADRN CCC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104546 1074131506 /nfs/dbraw/zinc/13/15/06/1074131506.db2.gz KMJPTRALLWSSNZ-RMRHIDDWSA-N 0 0 396.360 -2.291 20 0 GAADRN CCN(CC)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104547 1074131541 /nfs/dbraw/zinc/13/15/41/1074131541.db2.gz KRVXDYDEXSPHNH-TTZDDIAXSA-N 0 0 395.420 -1.903 20 0 GAADRN CCC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104552 1074131526 /nfs/dbraw/zinc/13/15/26/1074131526.db2.gz KZTUSZMAHWNGBU-RMRHIDDWSA-N 0 0 397.344 -2.411 20 0 GAADRN CCCCCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104616 1074132013 /nfs/dbraw/zinc/13/20/13/1074132013.db2.gz MWQRZWULBYONTB-TTZDDIAXSA-N 0 0 380.405 -1.012 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccccc4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC001254104653 1074132062 /nfs/dbraw/zinc/13/20/62/1074132062.db2.gz NCVHORLMSYZBHY-LJIGWXMPSA-N 0 0 386.368 -1.077 20 0 GAADRN CCOC(=O)c1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104669 1074132010 /nfs/dbraw/zinc/13/20/10/1074132010.db2.gz NUCPOSXKSMIWBD-KZWBYHQPSA-N 0 0 383.317 -2.687 20 0 GAADRN C=CC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104686 1074131995 /nfs/dbraw/zinc/13/19/95/1074131995.db2.gz OJMCPXZRKSWQRS-RMRHIDDWSA-N 0 0 394.344 -2.515 20 0 GAADRN CC1(c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3O)nn2)COC1 ZINC001254104718 1074132027 /nfs/dbraw/zinc/13/20/27/1074132027.db2.gz ORYRHHWDTJKMGU-UUIJZJDISA-N 0 0 380.361 -2.457 20 0 GAADRN CC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104732 1074132078 /nfs/dbraw/zinc/13/20/78/1074132078.db2.gz OZPCDYANJOMOCU-CIQGVGRVSA-N 0 0 382.333 -2.681 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccccn4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104761 1074132002 /nfs/dbraw/zinc/13/20/02/1074132002.db2.gz PQUJODLOUWDYBW-TTZDDIAXSA-N 0 0 388.340 -1.802 20 0 GAADRN CC(C)(C)OC(=O)c1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1 ZINC001254104821 1074132046 /nfs/dbraw/zinc/13/20/46/1074132046.db2.gz RBHGJPUOWNCZIJ-PVTKRXDGSA-N 0 0 393.356 -1.214 20 0 GAADRN CC(C)(C)OCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104876 1074132071 /nfs/dbraw/zinc/13/20/71/1074132071.db2.gz SDZGDDIMQWVKOK-BCUIYNNISA-N 0 0 397.388 -1.549 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(C4CCOCC4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104881 1074132057 /nfs/dbraw/zinc/13/20/57/1074132057.db2.gz SEQARNMURRCVJO-TTZDDIAXSA-N 0 0 395.372 -1.970 20 0 GAADRN CC(C)(Cl)c1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104914 1074132050 /nfs/dbraw/zinc/13/20/50/1074132050.db2.gz TUHDWCRTAWJONZ-KZWBYHQPSA-N 0 0 387.780 -1.390 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(C4CCCC4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104919 1074132037 /nfs/dbraw/zinc/13/20/37/1074132037.db2.gz TWWNYCIOIHTCHR-TTZDDIAXSA-N 0 0 379.373 -1.206 20 0 GAADRN CCN(CC)Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104922 1074132038 /nfs/dbraw/zinc/13/20/38/1074132038.db2.gz UDPIZOFWPGMZAX-TTZDDIAXSA-N 0 0 396.404 -2.022 20 0 GAADRN COC(=O)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104924 1074132065 /nfs/dbraw/zinc/13/20/65/1074132065.db2.gz UFBYULINNOAXRU-CIQGVGRVSA-N 0 0 382.333 -3.029 20 0 GAADRN O=c1ccn2c(n1)O[C@@H]1[C@H]2O[C@@](CO)(n2cc(C3CCOCC3)nn2)[C@H]1O ZINC001254104942 1074132054 /nfs/dbraw/zinc/13/20/54/1074132054.db2.gz VDWUQAPQQHKIMM-TTZDDIAXSA-N 0 0 377.357 -1.275 20 0 GAADRN C=CC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104943 1074132035 /nfs/dbraw/zinc/13/20/35/1074132035.db2.gz VEFPNQMAKJLEKN-RMRHIDDWSA-N 0 0 395.328 -2.635 20 0 GAADRN O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cccnc4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC001254104950 1074132714 /nfs/dbraw/zinc/13/27/14/1074132714.db2.gz VIFFKOTUEFDGBN-TTZDDIAXSA-N 0 0 388.340 -1.802 20 0 GAADRN COC(=O)CCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104968 1074132616 /nfs/dbraw/zinc/13/26/16/1074132616.db2.gz VSDNKAQOAXLPET-RMRHIDDWSA-N 0 0 397.344 -2.758 20 0 GAADRN C[Si](C)(C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104973 1074132697 /nfs/dbraw/zinc/13/26/97/1074132697.db2.gz VVFQPEREUXTHGA-RMRHIDDWSA-N 0 0 396.480 -1.325 20 0 GAADRN COC(=O)CCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105007 1074132639 /nfs/dbraw/zinc/13/26/39/1074132639.db2.gz WPZTYWTUUQNXOV-RMRHIDDWSA-N 0 0 396.360 -2.639 20 0 GAADRN CCOC(=O)c1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105039 1074132670 /nfs/dbraw/zinc/13/26/70/1074132670.db2.gz XBBXMRBOGIVASQ-KZWBYHQPSA-N 0 0 382.333 -2.568 20 0 GAADRN CC(C)(Cl)c1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105082 1074132630 /nfs/dbraw/zinc/13/26/30/1074132630.db2.gz XNAKDDKPYXIHBG-KZWBYHQPSA-N 0 0 386.796 -1.271 20 0 GAADRN CC(C)(C)OCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1 ZINC001254105122 1074132644 /nfs/dbraw/zinc/13/26/44/1074132644.db2.gz BDFOSTPCYJXSPQ-OQMKEHIESA-N 0 0 396.404 -1.429 20 0 GAADRN COC(=O)C(Cc1cn(CCOCCOCCOCCO)nn1)C(=O)OC ZINC001254105137 1074132721 /nfs/dbraw/zinc/13/27/21/1074132721.db2.gz XRKFRTJCMBBWPE-UHFFFAOYSA-N 0 0 389.405 -1.175 20 0 GAADRN CC(C)CCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105151 1074132726 /nfs/dbraw/zinc/13/27/26/1074132726.db2.gz XXBZDSDEPUZVLT-TTZDDIAXSA-N 0 0 380.405 -1.156 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccncc4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC001254105161 1074132734 /nfs/dbraw/zinc/13/27/34/1074132734.db2.gz YBNNWSNTMJWYHE-TTZDDIAXSA-N 0 0 387.356 -1.682 20 0 GAADRN CC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105170 1074132599 /nfs/dbraw/zinc/13/25/99/1074132599.db2.gz YNPOSYBHDGKJKL-CIQGVGRVSA-N 0 0 383.317 -2.801 20 0 GAADRN COC(=O)C(C)(C)c1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1 ZINC001254105180 1074132661 /nfs/dbraw/zinc/13/26/61/1074132661.db2.gz DAXCRILYNDXXFG-PVTKRXDGSA-N 0 0 393.356 -1.719 20 0 GAADRN CCCCCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254105181 1074132739 /nfs/dbraw/zinc/13/27/39/1074132739.db2.gz YRHQBLXYJXNQOO-TTZDDIAXSA-N 0 0 381.389 -1.131 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccccn4)nn3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC001254105208 1074132675 /nfs/dbraw/zinc/13/26/75/1074132675.db2.gz DOPMQGYFFXMPCF-HLPPOEQASA-N 0 0 387.356 -1.682 20 0 GAADRN 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Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cccnc4)nn3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC001254105342 1074132964 /nfs/dbraw/zinc/13/29/64/1074132964.db2.gz IEXPOPWBKUGZIK-HLPPOEQASA-N 0 0 387.356 -1.682 20 0 GAADRN CCOC(=O)CCc1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1 ZINC001254105353 1074132901 /nfs/dbraw/zinc/13/29/01/1074132901.db2.gz IKBRDQHRVVIHNH-TTZDDIAXSA-N 0 0 393.356 -1.674 20 0 GAADRN C=CC(=O)OCc1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1 ZINC001254105402 1074132945 /nfs/dbraw/zinc/13/29/45/1074132945.db2.gz JTMWLBQBOFTZGC-RMRHIDDWSA-N 0 0 377.313 -1.940 20 0 GAADRN Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C4CCOCC4)nn3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC001254105403 1074132981 /nfs/dbraw/zinc/13/29/81/1074132981.db2.gz JTRFLFITCGFYCF-HLPPOEQASA-N 0 0 394.388 -1.850 20 0 GAADRN CCC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1 ZINC001254105429 1074132908 /nfs/dbraw/zinc/13/29/08/1074132908.db2.gz KMJPTRALLWSSNZ-QVHKTLOISA-N 0 0 396.360 -2.291 20 0 GAADRN 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382.402 -1.258 20 0 GAADRN CS(=O)(=O)CCNC(=O)[C@@H]1COCCC12CN(C(=O)c1c[nH]c(=O)[nH]1)C2 ZINC001278056182 1074085494 /nfs/dbraw/zinc/08/54/94/1074085494.db2.gz NSGHYNKUDKMKSD-JTQLQIEISA-N 0 0 386.430 -1.245 20 0 GAADRN CS(=O)(=O)CCNC(=O)[C@H]1COCCC12CN(C(=O)c1c[nH]c(=O)[nH]1)C2 ZINC001278056217 1074086142 /nfs/dbraw/zinc/08/61/42/1074086142.db2.gz NSGHYNKUDKMKSD-SNVBAGLBSA-N 0 0 386.430 -1.245 20 0 GAADRN CS(=O)(=O)CCNC(=O)c1nnc2n1CCN(C(=O)c1c[nH]c(=O)[nH]1)C2 ZINC001278056692 1074085982 /nfs/dbraw/zinc/08/59/82/1074085982.db2.gz ZBUDQVKQAYAJFE-UHFFFAOYSA-N 0 0 383.390 -1.863 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ncon2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278079841 1074086170 /nfs/dbraw/zinc/08/61/70/1074086170.db2.gz WXNUMLFKSVQHRS-AWEZNQCLSA-N 0 0 386.434 -1.327 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ncon2)C[C@]2(CCCC(=O)N2)C1 ZINC001278079843 1074086066 /nfs/dbraw/zinc/08/60/66/1074086066.db2.gz WXNUMLFKSVQHRS-CQSZACIVSA-N 0 0 386.434 -1.327 20 0 GAADRN CCNC(=O)CN1CC2(CN(c3ccc(S(N)(=O)=O)cc3)C2)OCC1=O ZINC001278085664 1074086266 /nfs/dbraw/zinc/08/62/66/1074086266.db2.gz AFSCSSAQRFIERV-UHFFFAOYSA-N 0 0 382.442 -1.112 20 0 GAADRN CCNC(=O)CN1C(=O)COCC12CN(c1ccc(S(N)(=O)=O)cc1)C2 ZINC001278087633 1074086181 /nfs/dbraw/zinc/08/61/81/1074086181.db2.gz XFPVGVDPYAJRTK-UHFFFAOYSA-N 0 0 382.442 -1.112 20 0 GAADRN Cc1ncncc1C(=O)N1C[C@@H]2C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]2C1 ZINC001278103352 1074086148 /nfs/dbraw/zinc/08/61/48/1074086148.db2.gz SZTFONUDRBXMKA-NWDGAFQWSA-N 0 0 381.414 -1.227 20 0 GAADRN CCN(CC)C(=O)CN1C[C@]2(CCN(S(=O)(=O)N(C)C)C2)OCC1=O ZINC001278108722 1074086019 /nfs/dbraw/zinc/08/60/19/1074086019.db2.gz SZHOGIPTAIGFKL-HNNXBMFYSA-N 0 0 376.479 -1.036 20 0 GAADRN CCN(CC)C(=O)CN1C[C@@]2(CCN(S(=O)(=O)N(C)C)C2)OCC1=O ZINC001278108723 1074086133 /nfs/dbraw/zinc/08/61/33/1074086133.db2.gz SZHOGIPTAIGFKL-OAHLLOKOSA-N 0 0 376.479 -1.036 20 0 GAADRN CN(C)S(=O)(=O)N1C[C@]2(F)CN(CCN3CCOCC3)C(=O)[C@]2(F)C1 ZINC001278110990 1074086547 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RTTVAAHBVFXZRG-TVYUQYBPSA-N 0 0 385.389 -1.445 20 0 GAADRN CN(C)S(=O)(=O)N1CC[C@@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001278112447 1074087045 /nfs/dbraw/zinc/08/70/45/1074087045.db2.gz VFIHICUVTOCGJV-HNNXBMFYSA-N 0 0 376.479 -1.572 20 0 GAADRN CN(C)S(=O)(=O)N1CC[C@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001278112448 1074086935 /nfs/dbraw/zinc/08/69/35/1074086935.db2.gz VFIHICUVTOCGJV-OAHLLOKOSA-N 0 0 376.479 -1.572 20 0 GAADRN CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCCN(S(=O)(=O)N(C)C)C2 ZINC001278112855 1074086897 /nfs/dbraw/zinc/08/68/97/1074086897.db2.gz YPEWZJNACMEWSQ-HNNXBMFYSA-N 0 0 376.479 -1.132 20 0 GAADRN CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCCN(S(=O)(=O)N(C)C)C2 ZINC001278112856 1074086959 /nfs/dbraw/zinc/08/69/59/1074086959.db2.gz YPEWZJNACMEWSQ-OAHLLOKOSA-N 0 0 376.479 -1.132 20 0 GAADRN COC[C@H](C(=O)OC)N1C(=O)C[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1=O ZINC001278113033 1074086980 /nfs/dbraw/zinc/08/69/80/1074086980.db2.gz ZZQFGHYRWASCHU-ABAIWWIYSA-N 0 0 391.446 -1.178 20 0 GAADRN COC[C@H](C(=O)OC)N1C(=O)C[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1=O ZINC001278113034 1074086965 /nfs/dbraw/zinc/08/69/65/1074086965.db2.gz ZZQFGHYRWASCHU-IAQYHMDHSA-N 0 0 391.446 -1.178 20 0 GAADRN COC[C@@H](C(=O)OC)N1C(=O)C[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1=O ZINC001278113035 1074087022 /nfs/dbraw/zinc/08/70/22/1074087022.db2.gz ZZQFGHYRWASCHU-NHYWBVRUSA-N 0 0 391.446 -1.178 20 0 GAADRN COC[C@@H](C(=O)OC)N1C(=O)C[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1=O ZINC001278113038 1074087003 /nfs/dbraw/zinc/08/70/03/1074087003.db2.gz ZZQFGHYRWASCHU-XHDPSFHLSA-N 0 0 391.446 -1.178 20 0 GAADRN COC[C@H](C(=O)OC)N1C(=O)COCC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC001278137947 1074086997 /nfs/dbraw/zinc/08/69/97/1074086997.db2.gz BLKXADWGZUYVCV-MRVPVSSYSA-N 0 0 390.336 -1.063 20 0 GAADRN COC[C@@H](C(=O)OC)N1C(=O)COCC12CN(S(=O)(=O)C(F)(F)F)C2 ZINC001278137950 1074086952 /nfs/dbraw/zinc/08/69/52/1074086952.db2.gz BLKXADWGZUYVCV-QMMMGPOBSA-N 0 0 390.336 -1.063 20 0 GAADRN COC[C@H](C(=O)OC)N1CC2(CN(S(=O)(=O)C(F)(F)F)C2)OCC1=O ZINC001278139861 1074087050 /nfs/dbraw/zinc/08/70/50/1074087050.db2.gz OMPARTRKZBTLRH-MRVPVSSYSA-N 0 0 390.336 -1.063 20 0 GAADRN COC[C@@H](C(=O)OC)N1CC2(CN(S(=O)(=O)C(F)(F)F)C2)OCC1=O ZINC001278139864 1074086925 /nfs/dbraw/zinc/08/69/25/1074086925.db2.gz OMPARTRKZBTLRH-QMMMGPOBSA-N 0 0 390.336 -1.063 20 0 GAADRN C[C@H](CN1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2)C(F)(F)F ZINC001278142117 1074087399 /nfs/dbraw/zinc/08/73/99/1074087399.db2.gz KWOYJOOFOOFSFK-KXTOZSSYSA-N 0 0 384.351 -1.871 20 0 GAADRN C[C@@H](CN1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2)C(F)(F)F ZINC001278142118 1074087301 /nfs/dbraw/zinc/08/73/01/1074087301.db2.gz KWOYJOOFOOFSFK-NTWGFAFESA-N 0 0 384.351 -1.871 20 0 GAADRN C[C@@H](CN1CC2(C1)CN(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2)C(F)(F)F ZINC001278142119 1074087363 /nfs/dbraw/zinc/08/73/63/1074087363.db2.gz KWOYJOOFOOFSFK-URASHGAGSA-N 0 0 384.351 -1.871 20 0 GAADRN 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C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@@H](CO)O1 ZINC001323671461 1074604310 /nfs/dbraw/zinc/60/43/10/1074604310.db2.gz COLUTKOYOVLXEM-RYUDHWBXSA-N 0 0 386.430 -1.916 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@H](CO)O1 ZINC001323671462 1074604325 /nfs/dbraw/zinc/60/43/25/1074604325.db2.gz COLUTKOYOVLXEM-VXGBXAGGSA-N 0 0 386.430 -1.916 20 0 GAADRN CCN1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)CC1=O ZINC001323671536 1074604266 /nfs/dbraw/zinc/60/42/66/1074604266.db2.gz FNSPXVUDRSOFLL-UHFFFAOYSA-N 0 0 388.471 -1.167 20 0 GAADRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001323671784 1074604228 /nfs/dbraw/zinc/60/42/28/1074604228.db2.gz HBKZJOGKRRVCPO-CYBMUJFWSA-N 0 0 393.448 -1.372 20 0 GAADRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC001323671785 1074604277 /nfs/dbraw/zinc/60/42/77/1074604277.db2.gz HBKZJOGKRRVCPO-ZDUSSCGKSA-N 0 0 393.448 -1.372 20 0 GAADRN C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)S(C)(=O)=O ZINC001323672145 1074604306 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20 0 GAADRN CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCCCO[C@H]2CCOC2)C1 ZINC001323672518 1074604767 /nfs/dbraw/zinc/60/47/67/1074604767.db2.gz OJDHPHAIFSATRK-STQMWFEESA-N 0 0 377.463 -1.304 20 0 GAADRN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001323673572 1074604761 /nfs/dbraw/zinc/60/47/61/1074604761.db2.gz SSFGJIHYBZZHHI-LLVKDONJSA-N 0 0 383.430 -1.835 20 0 GAADRN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001323673585 1074604805 /nfs/dbraw/zinc/60/48/05/1074604805.db2.gz SSFGJIHYBZZHHI-NSHDSACASA-N 0 0 383.430 -1.835 20 0 GAADRN O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC001323674680 1074604743 /nfs/dbraw/zinc/60/47/43/1074604743.db2.gz YJOHJTDJAMNLRN-CYBMUJFWSA-N 0 0 397.457 -1.981 20 0 GAADRN O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001323674691 1074604826 /nfs/dbraw/zinc/60/48/26/1074604826.db2.gz YJOHJTDJAMNLRN-ZDUSSCGKSA-N 0 0 397.457 -1.981 20 0 GAADRN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC001323675587 1074604795 /nfs/dbraw/zinc/60/47/95/1074604795.db2.gz RDZYQKRGKOGWQY-CHWSQXEVSA-N 0 0 394.428 -1.510 20 0 GAADRN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC001323675588 1074604815 /nfs/dbraw/zinc/60/48/15/1074604815.db2.gz RDZYQKRGKOGWQY-OLZOCXBDSA-N 0 0 394.428 -1.510 20 0 GAADRN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC001323675589 1074604810 /nfs/dbraw/zinc/60/48/10/1074604810.db2.gz RDZYQKRGKOGWQY-QWHCGFSZSA-N 0 0 394.428 -1.510 20 0 GAADRN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC001323675590 1074604821 /nfs/dbraw/zinc/60/48/21/1074604821.db2.gz RDZYQKRGKOGWQY-STQMWFEESA-N 0 0 394.428 -1.510 20 0 GAADRN CC(C)C(=O)NCCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001323677667 1074604789 /nfs/dbraw/zinc/60/47/89/1074604789.db2.gz HPPGILWKDLIQFQ-LBPRGKRZSA-N 0 0 376.479 -1.243 20 0 GAADRN CO[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C ZINC001323677795 1074604775 /nfs/dbraw/zinc/60/47/75/1074604775.db2.gz PMHACQRMDBKLRC-CYBMUJFWSA-N 0 0 396.444 -1.407 20 0 GAADRN CO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C ZINC001323677797 1074604782 /nfs/dbraw/zinc/60/47/82/1074604782.db2.gz PMHACQRMDBKLRC-ZDUSSCGKSA-N 0 0 396.444 -1.407 20 0 GAADRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC001323678665 1074604751 /nfs/dbraw/zinc/60/47/51/1074604751.db2.gz KNYTWSZUGKXWCB-UHFFFAOYSA-N 0 0 382.442 -1.087 20 0 GAADRN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1=O ZINC001323678828 1074604801 /nfs/dbraw/zinc/60/48/01/1074604801.db2.gz XLELFCADAWSSEJ-LLVKDONJSA-N 0 0 398.441 -1.418 20 0 GAADRN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1=O ZINC001323678830 1074604771 /nfs/dbraw/zinc/60/47/71/1074604771.db2.gz XLELFCADAWSSEJ-NSHDSACASA-N 0 0 398.441 -1.418 20 0 GAADRN CC(C)C(=O)NCCCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC001323679264 1074604785 /nfs/dbraw/zinc/60/47/85/1074604785.db2.gz UJJBWSLSSOJRDM-UHFFFAOYSA-N 0 0 376.479 -1.241 20 0 GAADRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCCCNC(=O)C(C)C)CC1 ZINC001323679316 1074605352 /nfs/dbraw/zinc/60/53/52/1074605352.db2.gz VRGWLYDDHDEMCE-UHFFFAOYSA-N 0 0 397.476 -1.540 20 0 GAADRN CCOC(CNC(=O)CN1CCN(C)CC1)CNC(=O)CN1CCN(C)CC1 ZINC001323679528 1074605322 /nfs/dbraw/zinc/60/53/22/1074605322.db2.gz BZKVFAYDIQPJLF-UHFFFAOYSA-N 0 0 398.552 -1.881 20 0 GAADRN O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N1CCNC(=O)C1 ZINC001323680170 1074605274 /nfs/dbraw/zinc/60/52/74/1074605274.db2.gz BMWJLJBZKRFNOH-UHFFFAOYSA-N 0 0 394.862 -1.246 20 0 GAADRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001323681160 1074605349 /nfs/dbraw/zinc/60/53/49/1074605349.db2.gz PTXBGGTUEIZFER-JTQLQIEISA-N 0 0 379.421 -1.180 20 0 GAADRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001323681162 1074605335 /nfs/dbraw/zinc/60/53/35/1074605335.db2.gz PTXBGGTUEIZFER-SNVBAGLBSA-N 0 0 379.421 -1.180 20 0 GAADRN Cn1nnc(CNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)n1 ZINC001323682766 1074605301 /nfs/dbraw/zinc/60/53/01/1074605301.db2.gz COXPSBMONDOQPK-UHFFFAOYSA-N 0 0 383.363 -1.238 20 0 GAADRN COc1ccc(OC)c2c1CN(C(=O)C(=O)NCc1nnn(C)n1)C[C@@H]2O ZINC001323683151 1074605360 /nfs/dbraw/zinc/60/53/60/1074605360.db2.gz DSUUTIMUIZRNQK-JTQLQIEISA-N 0 0 376.373 -1.081 20 0 GAADRN COc1ccc(OC)c2c1CN(C(=O)C(=O)NCc1nnn(C)n1)C[C@H]2O ZINC001323683152 1074605261 /nfs/dbraw/zinc/60/52/61/1074605261.db2.gz DSUUTIMUIZRNQK-SNVBAGLBSA-N 0 0 376.373 -1.081 20 0 GAADRN COCCN1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1=O ZINC001323684358 1074605245 /nfs/dbraw/zinc/60/52/45/1074605245.db2.gz DJGYZLZIMVGTFN-GFCCVEGCSA-N 0 0 390.462 -2.156 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2nnn(C)n2)CC1 ZINC001323685308 1074605294 /nfs/dbraw/zinc/60/52/94/1074605294.db2.gz OXCHOLPEVKXFKZ-UHFFFAOYSA-N 0 0 389.438 -2.663 20 0 GAADRN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCc2nnn(C)n2)CC1 ZINC001323685317 1074605308 /nfs/dbraw/zinc/60/53/08/1074605308.db2.gz PFTIKGOIEPBUBH-UHFFFAOYSA-N 0 0 380.453 -1.771 20 0 GAADRN CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC001323685894 1074605363 /nfs/dbraw/zinc/60/53/63/1074605363.db2.gz NQEKJXDMMWXKLO-CYBMUJFWSA-N 0 0 388.490 -1.289 20 0 GAADRN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC001323685895 1074605287 /nfs/dbraw/zinc/60/52/87/1074605287.db2.gz NQEKJXDMMWXKLO-ZDUSSCGKSA-N 0 0 388.490 -1.289 20 0 GAADRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001323685937 1074605225 /nfs/dbraw/zinc/60/52/25/1074605225.db2.gz PHSYETJGLJYLTN-LLVKDONJSA-N 0 0 390.462 -1.981 20 0 GAADRN NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC001323686226 1074605268 /nfs/dbraw/zinc/60/52/68/1074605268.db2.gz OQLUKZOXQRZXPF-CABCVRRESA-N 0 0 388.424 -1.136 20 0 GAADRN NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC001323686227 1074605188 /nfs/dbraw/zinc/60/51/88/1074605188.db2.gz OQLUKZOXQRZXPF-GJZGRUSLSA-N 0 0 388.424 -1.136 20 0 GAADRN NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC001323686228 1074605345 /nfs/dbraw/zinc/60/53/45/1074605345.db2.gz OQLUKZOXQRZXPF-HUUCEWRRSA-N 0 0 388.424 -1.136 20 0 GAADRN NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 ZINC001323686229 1074605256 /nfs/dbraw/zinc/60/52/56/1074605256.db2.gz OQLUKZOXQRZXPF-LSDHHAIUSA-N 0 0 388.424 -1.136 20 0 GAADRN COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCO1 ZINC001323686382 1074605637 /nfs/dbraw/zinc/60/56/37/1074605637.db2.gz PQKWVGQRDWTNNB-NEPJUHHUSA-N 0 0 391.446 -1.683 20 0 GAADRN COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCO1 ZINC001323686383 1074605709 /nfs/dbraw/zinc/60/57/09/1074605709.db2.gz PQKWVGQRDWTNNB-VXGBXAGGSA-N 0 0 391.446 -1.683 20 0 GAADRN CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001323686399 1074605668 /nfs/dbraw/zinc/60/56/68/1074605668.db2.gz QIYHCKCVRMFMHS-CYBMUJFWSA-N 0 0 390.506 -1.701 20 0 GAADRN CC(C)(O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001323686400 1074605699 /nfs/dbraw/zinc/60/56/99/1074605699.db2.gz QIYHCKCVRMFMHS-ZDUSSCGKSA-N 0 0 390.506 -1.701 20 0 GAADRN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001323686601 1074605687 /nfs/dbraw/zinc/60/56/87/1074605687.db2.gz PUUBIURFVCCEAI-BXUZGUMPSA-N 0 0 387.396 -1.386 20 0 GAADRN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001323686605 1074605721 /nfs/dbraw/zinc/60/57/21/1074605721.db2.gz PUUBIURFVCCEAI-FZMZJTMJSA-N 0 0 387.396 -1.386 20 0 GAADRN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001323686609 1074605676 /nfs/dbraw/zinc/60/56/76/1074605676.db2.gz PUUBIURFVCCEAI-RISCZKNCSA-N 0 0 387.396 -1.386 20 0 GAADRN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001323686613 1074605617 /nfs/dbraw/zinc/60/56/17/1074605617.db2.gz PUUBIURFVCCEAI-SMDDNHRTSA-N 0 0 387.396 -1.386 20 0 GAADRN CCc1nsc(N2CCCN(C(=O)C(=O)NCc3nnn(C)n3)CC2)n1 ZINC001323686719 1074605684 /nfs/dbraw/zinc/60/56/84/1074605684.db2.gz XRHNWYWJXUGXPV-UHFFFAOYSA-N 0 0 379.450 -1.021 20 0 GAADRN CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC001323686867 1074605662 /nfs/dbraw/zinc/60/56/62/1074605662.db2.gz VHPCMEXCUBMLCD-DOMZBBRYSA-N 0 0 375.447 -1.598 20 0 GAADRN CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC001323686868 1074605629 /nfs/dbraw/zinc/60/56/29/1074605629.db2.gz VHPCMEXCUBMLCD-IUODEOHRSA-N 0 0 375.447 -1.598 20 0 GAADRN CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC001323686869 1074605692 /nfs/dbraw/zinc/60/56/92/1074605692.db2.gz VHPCMEXCUBMLCD-SWLSCSKDSA-N 0 0 375.447 -1.598 20 0 GAADRN CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC001323686870 1074605644 /nfs/dbraw/zinc/60/56/44/1074605644.db2.gz VHPCMEXCUBMLCD-WFASDCNBSA-N 0 0 375.447 -1.598 20 0 GAADRN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1OC ZINC001323687064 1074605717 /nfs/dbraw/zinc/60/57/17/1074605717.db2.gz WDACEHOCZFUQOC-RVMXOQNASA-N 0 0 377.463 -1.307 20 0 GAADRN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1OC ZINC001323687066 1074605680 /nfs/dbraw/zinc/60/56/80/1074605680.db2.gz WDACEHOCZFUQOC-WUHRBBMRSA-N 0 0 377.463 -1.307 20 0 GAADRN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1OC ZINC001323687068 1074605654 /nfs/dbraw/zinc/60/56/54/1074605654.db2.gz WDACEHOCZFUQOC-XQHKEYJVSA-N 0 0 377.463 -1.307 20 0 GAADRN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1OC ZINC001323687070 1074605704 /nfs/dbraw/zinc/60/57/04/1074605704.db2.gz WDACEHOCZFUQOC-YVECIDJPSA-N 0 0 377.463 -1.307 20 0 GAADRN CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001323687077 1074605696 /nfs/dbraw/zinc/60/56/96/1074605696.db2.gz WDNAMKWKKSXFHJ-CYBMUJFWSA-N 0 0 396.473 -1.477 20 0 GAADRN CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001323687083 1074605666 /nfs/dbraw/zinc/60/56/66/1074605666.db2.gz WDNAMKWKKSXFHJ-ZDUSSCGKSA-N 0 0 396.473 -1.477 20 0 GAADRN O=C(CNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)NCCO 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POSSUUDGFFAEFC-CYBMUJFWSA-N 0 0 382.508 -1.344 20 0 GAADRN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001323690205 1074606221 /nfs/dbraw/zinc/60/62/21/1074606221.db2.gz POSSUUDGFFAEFC-ZDUSSCGKSA-N 0 0 382.508 -1.344 20 0 GAADRN Cc1cnc(N(C)CCNS(C)(=O)=O)nc1N(C)CCNS(C)(=O)=O ZINC001323691336 1074606208 /nfs/dbraw/zinc/60/62/08/1074606208.db2.gz QUFDVSFUSLJBIJ-UHFFFAOYSA-N 0 0 394.523 -1.244 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001323691661 1074606233 /nfs/dbraw/zinc/60/62/33/1074606233.db2.gz TYHTTYRARRHXNG-AWEZNQCLSA-N 0 0 396.469 -1.122 20 0 GAADRN CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001323691663 1074606251 /nfs/dbraw/zinc/60/62/51/1074606251.db2.gz TYHTTYRARRHXNG-CQSZACIVSA-N 0 0 396.469 -1.122 20 0 GAADRN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(CCOC)C(=O)C1 ZINC001323693649 1074606297 /nfs/dbraw/zinc/60/62/97/1074606297.db2.gz IMOTZLVLOZAJAL-UHFFFAOYSA-N 0 0 381.433 -1.076 20 0 GAADRN COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cncn3)CC2)n1 ZINC001323694576 1074606300 /nfs/dbraw/zinc/60/63/00/1074606300.db2.gz KXZLXVQGSLUGEE-GFCCVEGCSA-N 0 0 392.420 -1.343 20 0 GAADRN COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cncn3)CC2)n1 ZINC001323694578 1074606280 /nfs/dbraw/zinc/60/62/80/1074606280.db2.gz KXZLXVQGSLUGEE-LBPRGKRZSA-N 0 0 392.420 -1.343 20 0 GAADRN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001323697388 1074606198 /nfs/dbraw/zinc/60/61/98/1074606198.db2.gz ZEIOOTGKWVGENT-BFQNTYOBSA-N 0 0 387.458 -1.472 20 0 GAADRN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001323697389 1074606255 /nfs/dbraw/zinc/60/62/55/1074606255.db2.gz ZEIOOTGKWVGENT-HSMVNMDESA-N 0 0 387.458 -1.472 20 0 GAADRN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001323697390 1074606292 /nfs/dbraw/zinc/60/62/92/1074606292.db2.gz ZEIOOTGKWVGENT-WQGACYEGSA-N 0 0 387.458 -1.472 20 0 GAADRN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001323697391 1074606288 /nfs/dbraw/zinc/60/62/88/1074606288.db2.gz ZEIOOTGKWVGENT-XHBSWPGZSA-N 0 0 387.458 -1.472 20 0 GAADRN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC001323703220 1074606295 /nfs/dbraw/zinc/60/62/95/1074606295.db2.gz URFJZEYBQACXOZ-AWEZNQCLSA-N 0 0 396.469 -1.041 20 0 GAADRN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001323703221 1074606266 /nfs/dbraw/zinc/60/62/66/1074606266.db2.gz URFJZEYBQACXOZ-CQSZACIVSA-N 0 0 396.469 -1.041 20 0 GAADRN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1=O ZINC001323703625 1074606658 /nfs/dbraw/zinc/60/66/58/1074606658.db2.gz FHGWLFKALZWZTB-LLVKDONJSA-N 0 0 385.446 -1.008 20 0 GAADRN CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1=O ZINC001323703626 1074606643 /nfs/dbraw/zinc/60/66/43/1074606643.db2.gz FHGWLFKALZWZTB-NSHDSACASA-N 0 0 385.446 -1.008 20 0 GAADRN CC(C)(C)OC(=O)CNC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O ZINC001323705475 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CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)NCCCN2CCCC2=O)C1=O ZINC001327249046 1074773410 /nfs/dbraw/zinc/77/34/10/1074773410.db2.gz CDMPXTVUDGAGHJ-XIKOKIGWSA-N 0 0 393.444 -1.048 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1C ZINC001327249169 1074773469 /nfs/dbraw/zinc/77/34/69/1074773469.db2.gz HMYDQLRFIYFRDV-NEPJUHHUSA-N 0 0 393.404 -2.246 20 0 GAADRN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1C ZINC001327249170 1074773557 /nfs/dbraw/zinc/77/35/57/1074773557.db2.gz HMYDQLRFIYFRDV-NWDGAFQWSA-N 0 0 393.404 -2.246 20 0 GAADRN COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1C ZINC001327249172 1074773451 /nfs/dbraw/zinc/77/34/51/1074773451.db2.gz HMYDQLRFIYFRDV-RYUDHWBXSA-N 0 0 393.404 -2.246 20 0 GAADRN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1C ZINC001327249174 1074773575 /nfs/dbraw/zinc/77/35/75/1074773575.db2.gz HMYDQLRFIYFRDV-VXGBXAGGSA-N 0 0 393.404 -2.246 20 0 GAADRN CS(=O)(=O)CC1(CNC(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC001327249752 1074773548 /nfs/dbraw/zinc/77/35/48/1074773548.db2.gz ZJMNZOBMQMYBKL-UHFFFAOYSA-N 0 0 380.488 -1.132 20 0 GAADRN O=S(=O)(CCCS(=O)(=O)N1CCn2nccc21)N1C[C@H](O)[C@@H](CO)C1 ZINC001327250061 1074773565 /nfs/dbraw/zinc/77/35/65/1074773565.db2.gz HBVKOTMLVMJACJ-NEPJUHHUSA-N 0 0 394.475 -1.962 20 0 GAADRN CCON(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001327250252 1074773444 /nfs/dbraw/zinc/77/34/44/1074773444.db2.gz OHXICADYSRKBHE-BETUJISGSA-N 0 0 392.478 -1.106 20 0 GAADRN CCON(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001327250253 1074773520 /nfs/dbraw/zinc/77/35/20/1074773520.db2.gz OHXICADYSRKBHE-CHWSQXEVSA-N 0 0 392.478 -1.106 20 0 GAADRN CCON(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001327250254 1074773425 /nfs/dbraw/zinc/77/34/25/1074773425.db2.gz OHXICADYSRKBHE-STQMWFEESA-N 0 0 392.478 -1.106 20 0 GAADRN O=S(=O)(CCCS(=O)(=O)N1CCn2nccc21)N1C[C@@H](O)[C@H](CO)C1 ZINC001327250264 1074773504 /nfs/dbraw/zinc/77/35/04/1074773504.db2.gz HBVKOTMLVMJACJ-NWDGAFQWSA-N 0 0 394.475 -1.962 20 0 GAADRN O=S(=O)(CCCS(=O)(=O)N1CCn2nccc21)N1C[C@H](O)[C@H](CO)C1 ZINC001327250265 1074773495 /nfs/dbraw/zinc/77/34/95/1074773495.db2.gz HBVKOTMLVMJACJ-RYUDHWBXSA-N 0 0 394.475 -1.962 20 0 GAADRN O=S(=O)(CCCS(=O)(=O)N1CCn2nccc21)N1C[C@H](CO)[C@H](O)C1 ZINC001327250267 1074773437 /nfs/dbraw/zinc/77/34/37/1074773437.db2.gz HBVKOTMLVMJACJ-VXGBXAGGSA-N 0 0 394.475 -1.962 20 0 GAADRN CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC001327252188 1074773833 /nfs/dbraw/zinc/77/38/33/1074773833.db2.gz ZUUHATYLWWMAFD-UHFFFAOYSA-N 0 0 395.460 -1.688 20 0 GAADRN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC001327253429 1074773726 /nfs/dbraw/zinc/77/37/26/1074773726.db2.gz AYELSZRQPBQCHJ-CYBMUJFWSA-N 0 0 380.426 -1.434 20 0 GAADRN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC001327253430 1074773753 /nfs/dbraw/zinc/77/37/53/1074773753.db2.gz AYELSZRQPBQCHJ-ZDUSSCGKSA-N 0 0 380.426 -1.434 20 0 GAADRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001327253566 1074773854 /nfs/dbraw/zinc/77/38/54/1074773854.db2.gz CIAQJSLWLKLFEZ-CABCVRRESA-N 0 0 393.488 -1.218 20 0 GAADRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001327253567 1074773718 /nfs/dbraw/zinc/77/37/18/1074773718.db2.gz CIAQJSLWLKLFEZ-GJZGRUSLSA-N 0 0 393.488 -1.218 20 0 GAADRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001327253568 1074773875 /nfs/dbraw/zinc/77/38/75/1074773875.db2.gz CIAQJSLWLKLFEZ-HUUCEWRRSA-N 0 0 393.488 -1.218 20 0 GAADRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001327253569 1074773772 /nfs/dbraw/zinc/77/37/72/1074773772.db2.gz CIAQJSLWLKLFEZ-LSDHHAIUSA-N 0 0 393.488 -1.218 20 0 GAADRN CCN(C(=O)COC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001327254192 1074773867 /nfs/dbraw/zinc/77/38/67/1074773867.db2.gz LRAUGYXOTQLJBP-LLVKDONJSA-N 0 0 399.491 -1.697 20 0 GAADRN CCN(C(=O)COC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001327254193 1074773846 /nfs/dbraw/zinc/77/38/46/1074773846.db2.gz LRAUGYXOTQLJBP-NSHDSACASA-N 0 0 399.491 -1.697 20 0 GAADRN CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001327254250 1074773790 /nfs/dbraw/zinc/77/37/90/1074773790.db2.gz GLWSYOXKZXLREX-UHFFFAOYSA-N 0 0 395.460 -1.336 20 0 GAADRN COC1CC(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC001327254279 1074773746 /nfs/dbraw/zinc/77/37/46/1074773746.db2.gz HCBSENVONGYPHY-UHFFFAOYSA-N 0 0 396.488 -1.079 20 0 GAADRN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001327254665 1074773734 /nfs/dbraw/zinc/77/37/34/1074773734.db2.gz JSLCOTJOOIOZFG-AWEZNQCLSA-N 0 0 384.433 -1.543 20 0 GAADRN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001327254669 1074773710 /nfs/dbraw/zinc/77/37/10/1074773710.db2.gz JSLCOTJOOIOZFG-CQSZACIVSA-N 0 0 384.433 -1.543 20 0 GAADRN O=C(CN1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1)N1CCOCC1 ZINC001327254686 1074773761 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OHMQAJQLMGOMOZ-WDEREUQCSA-N 0 0 384.401 -1.123 20 0 GAADRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 ZINC001327256613 1074774087 /nfs/dbraw/zinc/77/40/87/1074774087.db2.gz XANXSWAZBCUOLV-UHFFFAOYSA-N 0 0 379.421 -2.031 20 0 GAADRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001327256622 1074774004 /nfs/dbraw/zinc/77/40/04/1074774004.db2.gz XBWZAYRVEAXDJA-CYBMUJFWSA-N 0 0 388.490 -1.147 20 0 GAADRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001327256674 1074774154 /nfs/dbraw/zinc/77/41/54/1074774154.db2.gz YIKMLUFFPWRMKQ-UHFFFAOYSA-N 0 0 384.433 -2.472 20 0 GAADRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001327256700 1074774017 /nfs/dbraw/zinc/77/40/17/1074774017.db2.gz YZPAISWELLSXPD-LLVKDONJSA-N 0 0 390.387 -1.590 20 0 GAADRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](O)C(F)(F)C2)CC1 ZINC001327256701 1074774147 /nfs/dbraw/zinc/77/41/47/1074774147.db2.gz YZPAISWELLSXPD-NSHDSACASA-N 0 0 390.387 -1.590 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001327256702 1074774118 /nfs/dbraw/zinc/77/41/18/1074774118.db2.gz ZAAVOMFXUJQPDB-KBPBESRZSA-N 0 0 379.461 -1.654 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001327256703 1074774096 /nfs/dbraw/zinc/77/40/96/1074774096.db2.gz ZAAVOMFXUJQPDB-KGLIPLIRSA-N 0 0 379.461 -1.654 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001327256704 1074774025 /nfs/dbraw/zinc/77/40/25/1074774025.db2.gz ZAAVOMFXUJQPDB-UONOGXRCSA-N 0 0 379.461 -1.654 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001327256705 1074774072 /nfs/dbraw/zinc/77/40/72/1074774072.db2.gz ZAAVOMFXUJQPDB-ZIAGYGMSSA-N 0 0 379.461 -1.654 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)CC1 ZINC001327256863 1074774129 /nfs/dbraw/zinc/77/41/29/1074774129.db2.gz DJMFYHYNONWZET-UHFFFAOYSA-N 0 0 399.473 -1.667 20 0 GAADRN C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1(CO)CC1 ZINC001327256872 1074774080 /nfs/dbraw/zinc/77/40/80/1074774080.db2.gz DPNXYVGIPMIULM-GFCCVEGCSA-N 0 0 379.417 -1.042 20 0 GAADRN C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1(CO)CC1 ZINC001327256873 1074774140 /nfs/dbraw/zinc/77/41/40/1074774140.db2.gz DPNXYVGIPMIULM-LBPRGKRZSA-N 0 0 379.417 -1.042 20 0 GAADRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)n1 ZINC001327256987 1074774032 /nfs/dbraw/zinc/77/40/32/1074774032.db2.gz HFEDNUCJHLSEQI-LLVKDONJSA-N 0 0 378.389 -1.037 20 0 GAADRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)n1 ZINC001327256988 1074774051 /nfs/dbraw/zinc/77/40/51/1074774051.db2.gz HFEDNUCJHLSEQI-NSHDSACASA-N 0 0 378.389 -1.037 20 0 GAADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001327256993 1074774105 /nfs/dbraw/zinc/77/41/05/1074774105.db2.gz HIWGNZFXQWJPLR-AWEZNQCLSA-N 0 0 384.477 -1.609 20 0 GAADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001327256994 1074774042 /nfs/dbraw/zinc/77/40/42/1074774042.db2.gz 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C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001328496535 1074835059 /nfs/dbraw/zinc/83/50/59/1074835059.db2.gz JYCLKLWOZGCHEQ-ZCDIYMNCSA-N 0 0 384.502 -1.223 20 0 GAADRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001328496537 1074835081 /nfs/dbraw/zinc/83/50/81/1074835081.db2.gz JYCLKLWOZGCHEQ-QFDBLCPBSA-N 0 0 384.502 -1.223 20 0 GAADRN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@@H]1F ZINC001328496702 1074835077 /nfs/dbraw/zinc/83/50/77/1074835077.db2.gz LSHHLDDOUZQEPU-KBPBESRZSA-N 0 0 398.435 -1.278 20 0 GAADRN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@@H]1F ZINC001328496704 1074835079 /nfs/dbraw/zinc/83/50/79/1074835079.db2.gz LSHHLDDOUZQEPU-KGLIPLIRSA-N 0 0 398.435 -1.278 20 0 GAADRN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@H]1F ZINC001328496706 1074835092 /nfs/dbraw/zinc/83/50/92/1074835092.db2.gz LSHHLDDOUZQEPU-UONOGXRCSA-N 0 0 398.435 -1.278 20 0 GAADRN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@H]1F ZINC001328496708 1074835255 /nfs/dbraw/zinc/83/52/55/1074835255.db2.gz LSHHLDDOUZQEPU-ZIAGYGMSSA-N 0 0 398.435 -1.278 20 0 GAADRN COCCOC1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001328496721 1074835324 /nfs/dbraw/zinc/83/53/24/1074835324.db2.gz LTIQEYMSKLBRTE-UHFFFAOYSA-N 0 0 382.417 -2.190 20 0 GAADRN COCCOC1CN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001328496744 1074835328 /nfs/dbraw/zinc/83/53/28/1074835328.db2.gz LXQFGTPYPYVRAR-UHFFFAOYSA-N 0 0 381.393 -2.782 20 0 GAADRN COCCCOC1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001328497678 1074835271 /nfs/dbraw/zinc/83/52/71/1074835271.db2.gz MJHHXQYGWQMWMM-UHFFFAOYSA-N 0 0 396.444 -1.800 20 0 GAADRN CCCCCOC1CN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001328498221 1074835353 /nfs/dbraw/zinc/83/53/53/1074835353.db2.gz NBOJKLRORSMXSB-UHFFFAOYSA-N 0 0 393.448 -1.239 20 0 GAADRN COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](OC)[C@@H](OC)C3)CC2)n1 ZINC001328499235 1074835312 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SHBFCLHKDHCECR-OLZOCXBDSA-N 0 0 390.462 -1.822 20 0 GAADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC001328507802 1074835280 /nfs/dbraw/zinc/83/52/80/1074835280.db2.gz SHBFCLHKDHCECR-QWHCGFSZSA-N 0 0 390.462 -1.822 20 0 GAADRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC001328507803 1074835741 /nfs/dbraw/zinc/83/57/41/1074835741.db2.gz SHBFCLHKDHCECR-STQMWFEESA-N 0 0 390.462 -1.822 20 0 GAADRN C[C@@H]1[C@H](C)N(C(=O)CSCC(N)=O)CCN1C(=O)CSCC(N)=O ZINC001328512257 1074835750 /nfs/dbraw/zinc/83/57/50/1074835750.db2.gz MJUJOBZTKGDPOG-AOOOYVTPSA-N 0 0 376.504 -1.129 20 0 GAADRN C[C@@H]1[C@@H](C)N(C(=O)CSCC(N)=O)CCN1C(=O)CSCC(N)=O ZINC001328512258 1074835719 /nfs/dbraw/zinc/83/57/19/1074835719.db2.gz MJUJOBZTKGDPOG-NXEZZACHSA-N 0 0 376.504 -1.129 20 0 GAADRN C[C@H]1[C@H](C)N(C(=O)CSCC(N)=O)CCN1C(=O)CSCC(N)=O ZINC001328512259 1074835722 /nfs/dbraw/zinc/83/57/22/1074835722.db2.gz MJUJOBZTKGDPOG-UWVGGRQHSA-N 0 0 376.504 -1.129 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)CC1 ZINC001328512366 1074835713 /nfs/dbraw/zinc/83/57/13/1074835713.db2.gz HHVLTGHYCYNVFV-UHFFFAOYSA-N 0 0 396.491 -2.370 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)C3CC3)C[C@H]21 ZINC001328514264 1074835726 /nfs/dbraw/zinc/83/57/26/1074835726.db2.gz QCESNFDFIAKUFH-TUAOUCFPSA-N 0 0 394.471 -2.050 20 0 GAADRN COCCN1CCN(C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1=O ZINC001328514696 1074835696 /nfs/dbraw/zinc/83/56/96/1074835696.db2.gz QFHUVWQTQBETMS-UHFFFAOYSA-N 0 0 384.477 -1.127 20 0 GAADRN Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001328517741 1074835678 /nfs/dbraw/zinc/83/56/78/1074835678.db2.gz CWBPBIOTASLUSQ-INIZCTEOSA-N 0 0 391.428 -1.043 20 0 GAADRN Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001328517742 1074835753 /nfs/dbraw/zinc/83/57/53/1074835753.db2.gz CWBPBIOTASLUSQ-MRXNPFEDSA-N 0 0 391.428 -1.043 20 0 GAADRN CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCN(CCOC)C(=O)C3)CCN2C1=O ZINC001328518460 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ROCCGTNPCAKZTP-UHFFFAOYSA-N 0 0 389.474 -1.377 20 0 GAADRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nnnn2C2CC2)C1 ZINC001329272499 1074872344 /nfs/dbraw/zinc/87/23/44/1074872344.db2.gz IRJWBELTVOXKOW-GXSJLCMTSA-N 0 0 385.450 -1.275 20 0 GAADRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2nnnn2C2CC2)C1 ZINC001329272503 1074872375 /nfs/dbraw/zinc/87/23/75/1074872375.db2.gz IRJWBELTVOXKOW-KOLCDFICSA-N 0 0 385.450 -1.275 20 0 GAADRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2nnnn2C2CC2)C1 ZINC001329272506 1074872379 /nfs/dbraw/zinc/87/23/79/1074872379.db2.gz IRJWBELTVOXKOW-MWLCHTKSSA-N 0 0 385.450 -1.275 20 0 GAADRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nnnn2C2CC2)C1 ZINC001329272508 1074872359 /nfs/dbraw/zinc/87/23/59/1074872359.db2.gz IRJWBELTVOXKOW-ONGXEEELSA-N 0 0 385.450 -1.275 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001329272561 1074872571 /nfs/dbraw/zinc/87/25/71/1074872571.db2.gz WOBLPHLXAHLOBJ-GXTWGEPZSA-N 0 0 388.490 -1.147 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001329272563 1074872619 /nfs/dbraw/zinc/87/26/19/1074872619.db2.gz WOBLPHLXAHLOBJ-JSGCOSHPSA-N 0 0 388.490 -1.147 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001329272565 1074872653 /nfs/dbraw/zinc/87/26/53/1074872653.db2.gz WOBLPHLXAHLOBJ-OCCSQVGLSA-N 0 0 388.490 -1.147 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001329272568 1074872592 /nfs/dbraw/zinc/87/25/92/1074872592.db2.gz WOBLPHLXAHLOBJ-TZMCWYRMSA-N 0 0 388.490 -1.147 20 0 GAADRN Cn1cc(S(=O)(=O)N2CCC(NC(=O)CN3CCNCC3=O)CC2)cn1 ZINC001329272703 1074872537 /nfs/dbraw/zinc/87/25/37/1074872537.db2.gz LLQDHIJPLFLXKN-UHFFFAOYSA-N 0 0 384.462 -1.879 20 0 GAADRN Nc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC001329273021 1074872557 /nfs/dbraw/zinc/87/25/57/1074872557.db2.gz NUKBISQUWSXCEW-CYBMUJFWSA-N 0 0 381.458 -1.275 20 0 GAADRN Nc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC001329273022 1074872550 /nfs/dbraw/zinc/87/25/50/1074872550.db2.gz NUKBISQUWSXCEW-ZDUSSCGKSA-N 0 0 381.458 -1.275 20 0 GAADRN O=C(C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001329273214 1074872608 /nfs/dbraw/zinc/87/26/08/1074872608.db2.gz YIAADUWTEDUZPJ-NEPJUHHUSA-N 0 0 384.458 -1.498 20 0 GAADRN Cn1nc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ccc1=O ZINC001329273309 1074872648 /nfs/dbraw/zinc/87/26/48/1074872648.db2.gz HNDJNRBNCUFWIM-UHFFFAOYSA-N 0 0 377.448 -1.490 20 0 GAADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H](OC)C2)CC1 ZINC001329273464 1074872585 /nfs/dbraw/zinc/87/25/85/1074872585.db2.gz LZIAXLFEFOUGGF-ZDUSSCGKSA-N 0 0 376.479 -1.036 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC001329275481 1074872623 /nfs/dbraw/zinc/87/26/23/1074872623.db2.gz CUXUSKVDFSSYDV-ABAIWWIYSA-N 0 0 391.446 -1.683 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)C1 ZINC001329275482 1074872599 /nfs/dbraw/zinc/87/25/99/1074872599.db2.gz CUXUSKVDFSSYDV-IAQYHMDHSA-N 0 0 391.446 -1.683 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC001329275483 1074872614 /nfs/dbraw/zinc/87/26/14/1074872614.db2.gz CUXUSKVDFSSYDV-NHYWBVRUSA-N 0 0 391.446 -1.683 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)C1 ZINC001329275484 1074872563 /nfs/dbraw/zinc/87/25/63/1074872563.db2.gz CUXUSKVDFSSYDV-XHDPSFHLSA-N 0 0 391.446 -1.683 20 0 GAADRN CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCO[C@](C)(COC)C3)CCN2C1=O ZINC001329275917 1074872605 /nfs/dbraw/zinc/87/26/05/1074872605.db2.gz GYSYZUSGYMXSRL-PXAZEXFGSA-N 0 0 382.417 -1.255 20 0 GAADRN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)N3CCO[C@](C)(COC)C3)CCN2C1=O ZINC001329275918 1074872659 /nfs/dbraw/zinc/87/26/59/1074872659.db2.gz GYSYZUSGYMXSRL-SJCJKPOMSA-N 0 0 382.417 -1.255 20 0 GAADRN CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCO[C@@](C)(COC)C3)CCN2C1=O ZINC001329275919 1074872630 /nfs/dbraw/zinc/87/26/30/1074872630.db2.gz GYSYZUSGYMXSRL-SJKOYZFVSA-N 0 0 382.417 -1.255 20 0 GAADRN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)N3CCO[C@@](C)(COC)C3)CCN2C1=O ZINC001329275920 1074872643 /nfs/dbraw/zinc/87/26/43/1074872643.db2.gz GYSYZUSGYMXSRL-YVEFUNNKSA-N 0 0 382.417 -1.255 20 0 GAADRN CCN1CCCN(C(=O)C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1=O ZINC001329276186 1074872579 /nfs/dbraw/zinc/87/25/79/1074872579.db2.gz IPOAXRIENQWRHI-UHFFFAOYSA-N 0 0 391.432 -1.379 20 0 GAADRN O=C(N[C@H](CO)CN1CCOCC1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329276912 1074873015 /nfs/dbraw/zinc/87/30/15/1074873015.db2.gz QGVUSPDRCHZYRX-DZGCQCFKSA-N 0 0 393.444 -1.014 20 0 GAADRN O=C(N[C@@H](CO)CN1CCOCC1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329276913 1074872967 /nfs/dbraw/zinc/87/29/67/1074872967.db2.gz QGVUSPDRCHZYRX-HIFRSBDPSA-N 0 0 393.444 -1.014 20 0 GAADRN O=C(N[C@@H](CO)CN1CCOCC1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329276914 1074872995 /nfs/dbraw/zinc/87/29/95/1074872995.db2.gz QGVUSPDRCHZYRX-UKRRQHHQSA-N 0 0 393.444 -1.014 20 0 GAADRN O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001329276915 1074873026 /nfs/dbraw/zinc/87/30/26/1074873026.db2.gz QGVUSPDRCHZYRX-ZFWWWQNUSA-N 0 0 393.444 -1.014 20 0 GAADRN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001329277004 1074872999 /nfs/dbraw/zinc/87/29/99/1074872999.db2.gz FTDMPYRIXMHDJD-HZMBPMFUSA-N 0 0 391.432 -1.078 20 0 GAADRN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001329277005 1074872950 /nfs/dbraw/zinc/87/29/50/1074872950.db2.gz FTDMPYRIXMHDJD-IINYFYTJSA-N 0 0 391.432 -1.078 20 0 GAADRN COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC001329277376 1074872984 /nfs/dbraw/zinc/87/29/84/1074872984.db2.gz NSDRDYQAUQKSSK-AWEZNQCLSA-N 0 0 399.444 -1.032 20 0 GAADRN COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC001329277377 1074873010 /nfs/dbraw/zinc/87/30/10/1074873010.db2.gz NSDRDYQAUQKSSK-CQSZACIVSA-N 0 0 399.444 -1.032 20 0 GAADRN COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC001329277456 1074873006 /nfs/dbraw/zinc/87/30/06/1074873006.db2.gz OYVXDPDTEXLZOO-HNNXBMFYSA-N 0 0 376.431 -1.188 20 0 GAADRN COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC001329277457 1074872974 /nfs/dbraw/zinc/87/29/74/1074872974.db2.gz OYVXDPDTEXLZOO-OAHLLOKOSA-N 0 0 376.431 -1.188 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001329277876 1074873033 /nfs/dbraw/zinc/87/30/33/1074873033.db2.gz PNAVKFIFCAKSAK-UTUOFQBUSA-N 0 0 391.446 -1.685 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001329277877 1074872977 /nfs/dbraw/zinc/87/29/77/1074872977.db2.gz PNAVKFIFCAKSAK-WOPDTQHZSA-N 0 0 391.446 -1.685 20 0 GAADRN O=C(C(=O)N1CCC2(COC(=O)N2)CC1)N1CCN(c2nccnn2)CC1 ZINC001329277938 1074873043 /nfs/dbraw/zinc/87/30/43/1074873043.db2.gz QHJCXQQEBLMTKS-UHFFFAOYSA-N 0 0 375.389 -1.379 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278461 1074873037 /nfs/dbraw/zinc/87/30/37/1074873037.db2.gz SEPSKKRDLZOIMA-ACJLOTCBSA-N 0 0 399.444 -1.127 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278462 1074873020 /nfs/dbraw/zinc/87/30/20/1074873020.db2.gz SEPSKKRDLZOIMA-FZKQIMNGSA-N 0 0 399.444 -1.127 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278463 1074873028 /nfs/dbraw/zinc/87/30/28/1074873028.db2.gz SEPSKKRDLZOIMA-SCLBCKFNSA-N 0 0 399.444 -1.127 20 0 GAADRN COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278464 1074872957 /nfs/dbraw/zinc/87/29/57/1074872957.db2.gz SEPSKKRDLZOIMA-UGSOOPFHSA-N 0 0 399.444 -1.127 20 0 GAADRN COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001329278853 1074873341 /nfs/dbraw/zinc/87/33/41/1074873341.db2.gz VFTQEXOSWZVFCU-GOSISDBHSA-N 0 0 399.444 -1.032 20 0 GAADRN COC(=O)CCNC(=O)CCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001329278854 1074873236 /nfs/dbraw/zinc/87/32/36/1074873236.db2.gz VFTQEXOSWZVFCU-SFHVURJKSA-N 0 0 399.444 -1.032 20 0 GAADRN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CCO1 ZINC001329278861 1074873359 /nfs/dbraw/zinc/87/33/59/1074873359.db2.gz VMJGQGAHRMJEKM-LLVKDONJSA-N 0 0 383.405 -1.756 20 0 GAADRN CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC3(COC(=O)N3)CC2)CCO1 ZINC001329278862 1074873316 /nfs/dbraw/zinc/87/33/16/1074873316.db2.gz VMJGQGAHRMJEKM-NSHDSACASA-N 0 0 383.405 -1.756 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CCN1c1nccn2cnnc12 ZINC001329279491 1074873325 /nfs/dbraw/zinc/87/33/25/1074873325.db2.gz YPHXALJNSCKKOB-JHJVBQTASA-N 0 0 399.411 -1.207 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CCN1c1nccn2cnnc12 ZINC001329279493 1074873226 /nfs/dbraw/zinc/87/32/26/1074873226.db2.gz YPHXALJNSCKKOB-YNEHKIRRSA-N 0 0 399.411 -1.207 20 0 GAADRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC001329281180 1074873377 /nfs/dbraw/zinc/87/33/77/1074873377.db2.gz XMLLHNZQXBRFDM-LLVKDONJSA-N 0 0 393.491 -1.514 20 0 GAADRN CNS(=O)(=O)C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 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Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4COC[C@H](C3)O4)C2=O)n(C)n1 ZINC001329360621 1074877159 /nfs/dbraw/zinc/87/71/59/1074877159.db2.gz SCVIEBCZJNDSLX-FRRDWIJNSA-N 0 0 377.401 -1.424 20 0 GAADRN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3C[C@@H]4COC[C@H](C3)O4)C2=O)n(C)n1 ZINC001329360625 1074877241 /nfs/dbraw/zinc/87/72/41/1074877241.db2.gz SCVIEBCZJNDSLX-XQQFMLRXSA-N 0 0 377.401 -1.424 20 0 GAADRN COCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC001329361053 1074877209 /nfs/dbraw/zinc/87/72/09/1074877209.db2.gz UILRGPSMCXBIBC-CYBMUJFWSA-N 0 0 393.444 -1.050 20 0 GAADRN COCC1(O)CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC001329361055 1074877228 /nfs/dbraw/zinc/87/72/28/1074877228.db2.gz UILRGPSMCXBIBC-ZDUSSCGKSA-N 0 0 393.444 -1.050 20 0 GAADRN CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001329361537 1074877253 /nfs/dbraw/zinc/87/72/53/1074877253.db2.gz XIRNQOCUHNTNJH-GFCCVEGCSA-N 0 0 382.442 -1.084 20 0 GAADRN CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001329361539 1074877269 /nfs/dbraw/zinc/87/72/69/1074877269.db2.gz XIRNQOCUHNTNJH-LBPRGKRZSA-N 0 0 382.442 -1.084 20 0 GAADRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC001329361573 1074877151 /nfs/dbraw/zinc/87/71/51/1074877151.db2.gz XYGJLLCZCFDXEE-CYBMUJFWSA-N 0 0 394.453 -1.084 20 0 GAADRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC001329361575 1074877216 /nfs/dbraw/zinc/87/72/16/1074877216.db2.gz XYGJLLCZCFDXEE-ZDUSSCGKSA-N 0 0 394.453 -1.084 20 0 GAADRN CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C[C@H]2C1=O ZINC001329364469 1074877553 /nfs/dbraw/zinc/87/75/53/1074877553.db2.gz DTKKLPIIBFPDBA-MELADBBJSA-N 0 0 378.429 -1.617 20 0 GAADRN O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001329365217 1074877533 /nfs/dbraw/zinc/87/75/33/1074877533.db2.gz JSUNNKLBXFKCJV-HBUWYVDXSA-N 0 0 381.429 -1.242 20 0 GAADRN O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001329365218 1074877566 /nfs/dbraw/zinc/87/75/66/1074877566.db2.gz JSUNNKLBXFKCJV-PMUMKWKESA-N 0 0 381.429 -1.242 20 0 GAADRN O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001329365219 1074877509 /nfs/dbraw/zinc/87/75/09/1074877509.db2.gz JSUNNKLBXFKCJV-QWQRMKEZSA-N 0 0 381.429 -1.242 20 0 GAADRN O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001329365220 1074877569 /nfs/dbraw/zinc/87/75/69/1074877569.db2.gz JSUNNKLBXFKCJV-SUNYJGFJSA-N 0 0 381.429 -1.242 20 0 GAADRN Cn1c2ccc(S(=O)(=O)NC[C@]3(O)CCS(=O)(=O)C3)cc2oc1=O ZINC001329368031 1074877494 /nfs/dbraw/zinc/87/74/94/1074877494.db2.gz DEPQBYUMFQXBHD-CYBMUJFWSA-N 0 0 376.412 -1.041 20 0 GAADRN Cn1c2ccc(S(=O)(=O)NC[C@@]3(O)CCS(=O)(=O)C3)cc2oc1=O ZINC001329368032 1074877517 /nfs/dbraw/zinc/87/75/17/1074877517.db2.gz DEPQBYUMFQXBHD-ZDUSSCGKSA-N 0 0 376.412 -1.041 20 0 GAADRN CO[C@H](CS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[C@H]1CCOC1 ZINC001329368597 1074877531 /nfs/dbraw/zinc/87/75/31/1074877531.db2.gz HLEPGLFSPMNMJN-FRRDWIJNSA-N 0 0 385.508 -1.127 20 0 GAADRN CO[C@H](CS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[C@@H]1CCOC1 ZINC001329368598 1074877536 /nfs/dbraw/zinc/87/75/36/1074877536.db2.gz HLEPGLFSPMNMJN-JHJVBQTASA-N 0 0 385.508 -1.127 20 0 GAADRN CO[C@H](CS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[C@H]1CCOC1 ZINC001329368599 1074877538 /nfs/dbraw/zinc/87/75/38/1074877538.db2.gz HLEPGLFSPMNMJN-RWMBFGLXSA-N 0 0 385.508 -1.127 20 0 GAADRN CO[C@H](CS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[C@@H]1CCOC1 ZINC001329368600 1074877528 /nfs/dbraw/zinc/87/75/28/1074877528.db2.gz HLEPGLFSPMNMJN-YNEHKIRRSA-N 0 0 385.508 -1.127 20 0 GAADRN CN(C)S(=O)(=O)NCC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC001329369915 1074877506 /nfs/dbraw/zinc/87/75/06/1074877506.db2.gz OCDIVUWNMLQKON-YUMQZZPRSA-N 0 0 381.398 -1.184 20 0 GAADRN O=C(N[C@@H]1CCN(CC(F)F)C1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001329370722 1074877501 /nfs/dbraw/zinc/87/75/01/1074877501.db2.gz NNAYFLQFAIQWPA-ABAIWWIYSA-N 0 0 395.428 -1.142 20 0 GAADRN O=C(N[C@@H]1CCN(CC(F)F)C1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001329370725 1074877526 /nfs/dbraw/zinc/87/75/26/1074877526.db2.gz NNAYFLQFAIQWPA-IAQYHMDHSA-N 0 0 395.428 -1.142 20 0 GAADRN O=C(N[C@H]1CCN(CC(F)F)C1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001329370727 1074877564 /nfs/dbraw/zinc/87/75/64/1074877564.db2.gz NNAYFLQFAIQWPA-NHYWBVRUSA-N 0 0 395.428 -1.142 20 0 GAADRN O=C(N[C@H]1CCN(CC(F)F)C1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001329370730 1074877519 /nfs/dbraw/zinc/87/75/19/1074877519.db2.gz NNAYFLQFAIQWPA-XHDPSFHLSA-N 0 0 395.428 -1.142 20 0 GAADRN CS[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001329374976 1074877864 /nfs/dbraw/zinc/87/78/64/1074877864.db2.gz FFOSGQOBXFJLQM-GFCCVEGCSA-N 0 0 394.519 -1.425 20 0 GAADRN CS[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001329374977 1074877897 /nfs/dbraw/zinc/87/78/97/1074877897.db2.gz FFOSGQOBXFJLQM-LBPRGKRZSA-N 0 0 394.519 -1.425 20 0 GAADRN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC001329375022 1074877843 /nfs/dbraw/zinc/87/78/43/1074877843.db2.gz FYYSVTYZOSFKOR-FRRDWIJNSA-N 0 0 380.463 -1.185 20 0 GAADRN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC001329375024 1074877807 /nfs/dbraw/zinc/87/78/07/1074877807.db2.gz FYYSVTYZOSFKOR-JHJVBQTASA-N 0 0 380.463 -1.185 20 0 GAADRN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC001329375025 1074877763 /nfs/dbraw/zinc/87/77/63/1074877763.db2.gz FYYSVTYZOSFKOR-RWMBFGLXSA-N 0 0 380.463 -1.185 20 0 GAADRN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC001329375026 1074877800 /nfs/dbraw/zinc/87/78/00/1074877800.db2.gz FYYSVTYZOSFKOR-YNEHKIRRSA-N 0 0 380.463 -1.185 20 0 GAADRN CC[C@@H](NC(=O)C(=O)N(C)CCS(=O)(=O)CC)C(=O)N1CCOCC1 ZINC001329375027 1074877840 /nfs/dbraw/zinc/87/78/40/1074877840.db2.gz FZFZGRDHJIGVKZ-GFCCVEGCSA-N 0 0 377.463 -1.367 20 0 GAADRN CC[C@H](NC(=O)C(=O)N(C)CCS(=O)(=O)CC)C(=O)N1CCOCC1 ZINC001329375029 1074877792 /nfs/dbraw/zinc/87/77/92/1074877792.db2.gz FZFZGRDHJIGVKZ-LBPRGKRZSA-N 0 0 377.463 -1.367 20 0 GAADRN CN1CCO[C@H](CS(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC001329375438 1074877797 /nfs/dbraw/zinc/87/77/97/1074877797.db2.gz MHJVNUCDIJEUKW-AWEZNQCLSA-N 0 0 376.479 -1.283 20 0 GAADRN CN1CCO[C@@H](CS(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC001329375439 1074877781 /nfs/dbraw/zinc/87/77/81/1074877781.db2.gz MHJVNUCDIJEUKW-CQSZACIVSA-N 0 0 376.479 -1.283 20 0 GAADRN CC[C@@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)N1CCOCC1 ZINC001329376854 1074877913 /nfs/dbraw/zinc/87/79/13/1074877913.db2.gz XFCUJEMESUSPCM-CHWSQXEVSA-N 0 0 383.449 -1.353 20 0 GAADRN CC[C@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(=O)N1CCOCC1 ZINC001329376857 1074877907 /nfs/dbraw/zinc/87/79/07/1074877907.db2.gz XFCUJEMESUSPCM-OLZOCXBDSA-N 0 0 383.449 -1.353 20 0 GAADRN CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)N1CCOCC1 ZINC001329376860 1074877872 /nfs/dbraw/zinc/87/78/72/1074877872.db2.gz XFCUJEMESUSPCM-QWHCGFSZSA-N 0 0 383.449 -1.353 20 0 GAADRN CC[C@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(=O)N1CCOCC1 ZINC001329376862 1074877819 /nfs/dbraw/zinc/87/78/19/1074877819.db2.gz XFCUJEMESUSPCM-STQMWFEESA-N 0 0 383.449 -1.353 20 0 GAADRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 ZINC001329378749 1074877812 /nfs/dbraw/zinc/87/78/12/1074877812.db2.gz DUFLFGZMCDTTEQ-LLVKDONJSA-N 0 0 390.448 -1.565 20 0 GAADRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 ZINC001329378750 1074877772 /nfs/dbraw/zinc/87/77/72/1074877772.db2.gz DUFLFGZMCDTTEQ-NSHDSACASA-N 0 0 390.448 -1.565 20 0 GAADRN CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4F)CC3)C[C@H]2C1=O ZINC001329378913 1074877834 /nfs/dbraw/zinc/87/78/34/1074877834.db2.gz LFBIWSSPSQJIBH-TXEJJXNPSA-N 0 0 389.387 -1.058 20 0 GAADRN CC(C)[C@H](NC=O)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001329379121 1074877787 /nfs/dbraw/zinc/87/77/87/1074877787.db2.gz GANNYRIRRYXALG-HIFRSBDPSA-N 0 0 389.474 -1.369 20 0 GAADRN CC(C)[C@H](NC=O)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001329379125 1074878188 /nfs/dbraw/zinc/87/81/88/1074878188.db2.gz GANNYRIRRYXALG-ZFWWWQNUSA-N 0 0 389.474 -1.369 20 0 GAADRN CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001329379277 1074878192 /nfs/dbraw/zinc/87/81/92/1074878192.db2.gz IEUMHTNFXVLFLJ-GFCCVEGCSA-N 0 0 396.444 -1.360 20 0 GAADRN CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001329379281 1074878202 /nfs/dbraw/zinc/87/82/02/1074878202.db2.gz IEUMHTNFXVLFLJ-LBPRGKRZSA-N 0 0 396.444 -1.360 20 0 GAADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCn3cncc3C2)CC1 ZINC001329380491 1074878176 /nfs/dbraw/zinc/87/81/76/1074878176.db2.gz BXINOGDIKFLLEV-UHFFFAOYSA-N 0 0 398.489 -1.044 20 0 GAADRN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cn1 ZINC001329381549 1074878184 /nfs/dbraw/zinc/87/81/84/1074878184.db2.gz YPUVDRKUDNYVHD-UHFFFAOYSA-N 0 0 391.471 -1.006 20 0 GAADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC001329384388 1074878373 /nfs/dbraw/zinc/87/83/73/1074878373.db2.gz VACNLMYLRBZNMI-AWEZNQCLSA-N 0 0 390.506 -1.054 20 0 GAADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC001329384391 1074878480 /nfs/dbraw/zinc/87/84/80/1074878480.db2.gz VACNLMYLRBZNMI-CQSZACIVSA-N 0 0 390.506 -1.054 20 0 GAADRN COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001329386071 1074878493 /nfs/dbraw/zinc/87/84/93/1074878493.db2.gz JPBODQFIUCLCRZ-UHFFFAOYSA-N 0 0 375.407 -1.457 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)CCO1 ZINC001329386243 1074878472 /nfs/dbraw/zinc/87/84/72/1074878472.db2.gz LLFRMIFNPBEMNB-AWEZNQCLSA-N 0 0 392.412 -1.290 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)CCO1 ZINC001329386244 1074878403 /nfs/dbraw/zinc/87/84/03/1074878403.db2.gz LLFRMIFNPBEMNB-CQSZACIVSA-N 0 0 392.412 -1.290 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCOC(C)(C)C2)CC1 ZINC001329386796 1074878515 /nfs/dbraw/zinc/87/85/15/1074878515.db2.gz PZQBTDFPJFQWAX-UHFFFAOYSA-N 0 0 376.479 -1.036 20 0 GAADRN COC(=O)N1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001329387191 1074878501 /nfs/dbraw/zinc/87/85/01/1074878501.db2.gz VWPWUPVBAILZOA-UHFFFAOYSA-N 0 0 391.450 -2.152 20 0 GAADRN Cn1cc(N2C[C@H](C(=O)Nc3cnn(CC(=O)NCCO)c3)CC2=O)cn1 ZINC001329388763 1074878388 /nfs/dbraw/zinc/87/83/88/1074878388.db2.gz HWXHGGTUOGIAIO-LLVKDONJSA-N 0 0 375.389 -1.283 20 0 GAADRN Cn1cc(N2C[C@@H](C(=O)Nc3cnn(CC(=O)NCCO)c3)CC2=O)cn1 ZINC001329388768 1074878440 /nfs/dbraw/zinc/87/84/40/1074878440.db2.gz HWXHGGTUOGIAIO-NSHDSACASA-N 0 0 375.389 -1.283 20 0 GAADRN O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001329389419 1074878486 /nfs/dbraw/zinc/87/84/86/1074878486.db2.gz RLRHOEXZULLCEP-RWMBFGLXSA-N 0 0 396.421 -1.036 20 0 GAADRN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001329389420 1074878510 /nfs/dbraw/zinc/87/85/10/1074878510.db2.gz RLRHOEXZULLCEP-UPJWGTAASA-N 0 0 396.421 -1.036 20 0 GAADRN COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NCCCc3ncn(C)n3)C2)nn1 ZINC001329389693 1074878331 /nfs/dbraw/zinc/87/83/31/1074878331.db2.gz HXWQRKTVZUHIGU-LLVKDONJSA-N 0 0 390.404 -1.284 20 0 GAADRN COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)NCCCc3ncn(C)n3)C2)nn1 ZINC001329389695 1074878433 /nfs/dbraw/zinc/87/84/33/1074878433.db2.gz HXWQRKTVZUHIGU-NSHDSACASA-N 0 0 390.404 -1.284 20 0 GAADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCc2ncn(C)n2)CC1 ZINC001329390138 1074878397 /nfs/dbraw/zinc/87/83/97/1074878397.db2.gz LSZDDVDRXZMQMZ-AWEZNQCLSA-N 0 0 393.492 -1.077 20 0 GAADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCc2ncn(C)n2)CC1 ZINC001329390139 1074878528 /nfs/dbraw/zinc/87/85/28/1074878528.db2.gz LSZDDVDRXZMQMZ-CQSZACIVSA-N 0 0 393.492 -1.077 20 0 GAADRN CN(CCOCCO)C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001329390159 1074878383 /nfs/dbraw/zinc/87/83/83/1074878383.db2.gz WILZFVVBVHQYGO-GFCCVEGCSA-N 0 0 386.426 -1.195 20 0 GAADRN CN(CCOCCO)C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001329390160 1074878852 /nfs/dbraw/zinc/87/88/52/1074878852.db2.gz WILZFVVBVHQYGO-LBPRGKRZSA-N 0 0 386.426 -1.195 20 0 GAADRN Cn1cnc(CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC001329390547 1074878832 /nfs/dbraw/zinc/87/88/32/1074878832.db2.gz PNQRKSKKBHIGAE-UHFFFAOYSA-N 0 0 391.476 -1.370 20 0 GAADRN COC(C)(C)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001329391999 1074878768 /nfs/dbraw/zinc/87/87/68/1074878768.db2.gz MRPSWQXGVVTOGB-UHFFFAOYSA-N 0 0 384.477 -1.079 20 0 GAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN2CC3(C2)CCOCC3)CCO1 ZINC001329395226 1074878803 /nfs/dbraw/zinc/87/88/03/1074878803.db2.gz FAWSUZVEJRQFMY-AWEZNQCLSA-N 0 0 383.445 -1.042 20 0 GAADRN COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCN2CC3(C2)CCOCC3)CCO1 ZINC001329395229 1074878772 /nfs/dbraw/zinc/87/87/72/1074878772.db2.gz FAWSUZVEJRQFMY-CQSZACIVSA-N 0 0 383.445 -1.042 20 0 GAADRN CC(=O)NCCNC(=O)CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001329395552 1074878837 /nfs/dbraw/zinc/87/88/37/1074878837.db2.gz BPBASIVXNKVZKL-UHFFFAOYSA-N 0 0 394.432 -1.287 20 0 GAADRN Cn1cc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c(=O)n(C)c1=O ZINC001329395599 1074878794 /nfs/dbraw/zinc/87/87/94/1074878794.db2.gz BWKPCULPHIGWNC-UHFFFAOYSA-N 0 0 376.373 -1.608 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CO[C@H](C)C2)CC1 ZINC001329397094 1074878828 /nfs/dbraw/zinc/87/88/28/1074878828.db2.gz GUZDSFPXPOOGPN-CHWSQXEVSA-N 0 0 377.463 -1.210 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CO[C@H](C)C2)CC1 ZINC001329397096 1074878808 /nfs/dbraw/zinc/87/88/08/1074878808.db2.gz GUZDSFPXPOOGPN-OLZOCXBDSA-N 0 0 377.463 -1.210 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CO[C@@H](C)C2)CC1 ZINC001329397098 1074878789 /nfs/dbraw/zinc/87/87/89/1074878789.db2.gz GUZDSFPXPOOGPN-QWHCGFSZSA-N 0 0 377.463 -1.210 20 0 GAADRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)CC1 ZINC001329397099 1074878855 /nfs/dbraw/zinc/87/88/55/1074878855.db2.gz GUZDSFPXPOOGPN-STQMWFEESA-N 0 0 377.463 -1.210 20 0 GAADRN COCCNC(=O)Cn1cc(NC(=S)NCCNS(C)(=O)=O)cn1 ZINC001329397378 1074878800 /nfs/dbraw/zinc/87/88/00/1074878800.db2.gz KMODVSZEXXNIKX-UHFFFAOYSA-N 0 0 378.480 -1.519 20 0 GAADRN O=C(NCCO)C1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 ZINC001329398631 1074878864 /nfs/dbraw/zinc/87/88/64/1074878864.db2.gz ZITAXRMCPHGPNB-UHFFFAOYSA-N 0 0 376.404 -1.257 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N(CC(C)(C)O)C2CC2)CC1 ZINC001329399019 1074878859 /nfs/dbraw/zinc/87/88/59/1074878859.db2.gz CBZFMHGLCBSWCX-UHFFFAOYSA-N 0 0 376.479 -1.301 20 0 GAADRN COCCN1CCN(C(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1=O ZINC001329399364 1074878797 /nfs/dbraw/zinc/87/87/97/1074878797.db2.gz WFCHAEVWQWQEPW-UHFFFAOYSA-N 0 0 377.401 -1.027 20 0 GAADRN COC[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001329400205 1074879154 /nfs/dbraw/zinc/87/91/54/1074879154.db2.gz KJDPVVABGWYOIJ-CYBMUJFWSA-N 0 0 376.479 -1.036 20 0 GAADRN COC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001329400206 1074879119 /nfs/dbraw/zinc/87/91/19/1074879119.db2.gz KJDPVVABGWYOIJ-ZDUSSCGKSA-N 0 0 376.479 -1.036 20 0 GAADRN CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC001329401217 1074879210 /nfs/dbraw/zinc/87/92/10/1074879210.db2.gz UJQYCCFWXNJJCY-UHFFFAOYSA-N 0 0 377.401 -1.108 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)CC1 ZINC001329401226 1074879183 /nfs/dbraw/zinc/87/91/83/1074879183.db2.gz VYMIGQKMQAHFRH-UHFFFAOYSA-N 0 0 388.490 -1.034 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001329403073 1074879137 /nfs/dbraw/zinc/87/91/37/1074879137.db2.gz UDQVWNACPZMHGB-GFCCVEGCSA-N 0 0 382.508 -1.944 20 0 GAADRN CN(C)S(=O)(=O)N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001329403074 1074879113 /nfs/dbraw/zinc/87/91/13/1074879113.db2.gz UDQVWNACPZMHGB-LBPRGKRZSA-N 0 0 382.508 -1.944 20 0 GAADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC001329406144 1074879175 /nfs/dbraw/zinc/87/91/75/1074879175.db2.gz HFZMHHRNLSYKJB-UHFFFAOYSA-N 0 0 388.490 -1.034 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001329409592 1074879426 /nfs/dbraw/zinc/87/94/26/1074879426.db2.gz MIXBRHQPTUEVKR-AOOOYVTPSA-N 0 0 396.404 -2.216 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001329409595 1074879501 /nfs/dbraw/zinc/87/95/01/1074879501.db2.gz MIXBRHQPTUEVKR-NXEZZACHSA-N 0 0 396.404 -2.216 20 0 GAADRN C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001329409597 1074879432 /nfs/dbraw/zinc/87/94/32/1074879432.db2.gz MIXBRHQPTUEVKR-UWVGGRQHSA-N 0 0 396.404 -2.216 20 0 GAADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001329409621 1074879508 /nfs/dbraw/zinc/87/95/08/1074879508.db2.gz MSISCUSRHPMAQL-UHFFFAOYSA-N 0 0 379.377 -2.631 20 0 GAADRN CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001329413001 1074879494 /nfs/dbraw/zinc/87/94/94/1074879494.db2.gz PBAISXFLBOQXDA-AWEZNQCLSA-N 0 0 379.461 -1.207 20 0 GAADRN CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001329413002 1074879465 /nfs/dbraw/zinc/87/94/65/1074879465.db2.gz PBAISXFLBOQXDA-CQSZACIVSA-N 0 0 379.461 -1.207 20 0 GAADRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)cn3C)C[C@H]21 ZINC001329416479 1074879441 /nfs/dbraw/zinc/87/94/41/1074879441.db2.gz CYOOPKFKWADASP-WCQGTBRESA-N 0 0 377.444 -1.444 20 0 GAADRN CNS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)CC1 ZINC001329416898 1074879507 /nfs/dbraw/zinc/87/95/07/1074879507.db2.gz HSNQWQXEVNYGMP-FRRDWIJNSA-N 0 0 395.503 -1.567 20 0 GAADRN CS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001329418058 1074879461 /nfs/dbraw/zinc/87/94/61/1074879461.db2.gz DIVUNGMKLONBBI-AWEZNQCLSA-N 0 0 396.469 -1.041 20 0 GAADRN CS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001329418060 1074879510 /nfs/dbraw/zinc/87/95/10/1074879510.db2.gz DIVUNGMKLONBBI-CQSZACIVSA-N 0 0 396.469 -1.041 20 0 GAADRN COCCN1CCN(C(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001329418454 1074879487 /nfs/dbraw/zinc/87/94/87/1074879487.db2.gz GTNZVVJUOZLTHK-UHFFFAOYSA-N 0 0 390.506 -1.435 20 0 GAADRN CCS(=O)(=O)CCNC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC001329421516 1074879685 /nfs/dbraw/zinc/87/96/85/1074879685.db2.gz UHPRBFKLQALBMD-UHFFFAOYSA-N 0 0 397.519 -1.285 20 0 GAADRN CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCOC4(CCOCC4)CC3)C[C@H]2C1=O ZINC001329429226 1074879713 /nfs/dbraw/zinc/87/97/13/1074879713.db2.gz QOINMZNBWGPAKN-BETUJISGSA-N 0 0 379.413 -1.142 20 0 GAADRN CN1C(=O)C(=O)N(CC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1=O ZINC001329430765 1074879775 /nfs/dbraw/zinc/87/97/75/1074879775.db2.gz CVENBMZZGNXNJD-UHFFFAOYSA-N 0 0 386.411 -1.299 20 0 GAADRN CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001329432469 1074879648 /nfs/dbraw/zinc/87/96/48/1074879648.db2.gz DUWUEABDOHNWTP-UHFFFAOYSA-N 0 0 375.433 -1.049 20 0 GAADRN C[C@@H]1[C@H](C)N(C(=O)CN2C(=O)CNC2=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC001329432731 1074880163 /nfs/dbraw/zinc/88/01/63/1074880163.db2.gz WIUWUJIHSRJXIN-AOOOYVTPSA-N 0 0 394.388 -2.462 20 0 GAADRN C[C@@H]1[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC001329432732 1074880130 /nfs/dbraw/zinc/88/01/30/1074880130.db2.gz WIUWUJIHSRJXIN-NXEZZACHSA-N 0 0 394.388 -2.462 20 0 GAADRN C[C@H]1[C@H](C)N(C(=O)CN2C(=O)CNC2=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC001329432733 1074880106 /nfs/dbraw/zinc/88/01/06/1074880106.db2.gz WIUWUJIHSRJXIN-UWVGGRQHSA-N 0 0 394.388 -2.462 20 0 GAADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC001329434494 1074880082 /nfs/dbraw/zinc/88/00/82/1074880082.db2.gz SNOMNPVQIQOKMQ-GFCCVEGCSA-N 0 0 389.478 -1.648 20 0 GAADRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)C1 ZINC001329434497 1074880167 /nfs/dbraw/zinc/88/01/67/1074880167.db2.gz SNOMNPVQIQOKMQ-LBPRGKRZSA-N 0 0 389.478 -1.648 20 0 GAADRN COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001329437573 1074880111 /nfs/dbraw/zinc/88/01/11/1074880111.db2.gz XYYIPSXKOUSMMC-HZPDHXFCSA-N 0 0 377.445 -1.229 20 0 GAADRN CCN1C[C@H](C)N(C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)C[C@@H]1C ZINC001329437924 1074880397 /nfs/dbraw/zinc/88/03/97/1074880397.db2.gz 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/nfs/dbraw/zinc/12/98/29/1075129829.db2.gz IRACQANFXUSRNC-UHFFFAOYSA-N 0 0 398.431 -1.235 20 0 GAADRN O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CC[C@H](C2CCOCC2)C1 ZINC001345540315 1075129859 /nfs/dbraw/zinc/12/98/59/1075129859.db2.gz LAHBGKOOBBBPOA-KBPBESRZSA-N 0 0 386.474 -1.378 20 0 GAADRN O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CC[C@@H](C2CCOCC2)C1 ZINC001345540319 1075129748 /nfs/dbraw/zinc/12/97/48/1075129748.db2.gz LAHBGKOOBBBPOA-KGLIPLIRSA-N 0 0 386.474 -1.378 20 0 GAADRN O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CC[C@H](C2CCOCC2)C1 ZINC001345540321 1075129847 /nfs/dbraw/zinc/12/98/47/1075129847.db2.gz LAHBGKOOBBBPOA-UONOGXRCSA-N 0 0 386.474 -1.378 20 0 GAADRN O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CC[C@@H](C2CCOCC2)C1 ZINC001345540324 1075129793 /nfs/dbraw/zinc/12/97/93/1075129793.db2.gz LAHBGKOOBBBPOA-ZIAGYGMSSA-N 0 0 386.474 -1.378 20 0 GAADRN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC001345540404 1075129850 /nfs/dbraw/zinc/12/98/50/1075129850.db2.gz QYAXMEGLRHQGQV-AWEZNQCLSA-N 0 0 396.469 -1.041 20 0 GAADRN CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001345540405 1075129840 /nfs/dbraw/zinc/12/98/40/1075129840.db2.gz QYAXMEGLRHQGQV-CQSZACIVSA-N 0 0 396.469 -1.041 20 0 GAADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2nnc(C)n2C)CC1 ZINC001345540440 1075129863 /nfs/dbraw/zinc/12/98/63/1075129863.db2.gz RKQRRVHHBLYRTB-GFCCVEGCSA-N 0 0 379.465 -1.201 20 0 GAADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2nnc(C)n2C)CC1 ZINC001345540441 1075129777 /nfs/dbraw/zinc/12/97/77/1075129777.db2.gz RKQRRVHHBLYRTB-LBPRGKRZSA-N 0 0 379.465 -1.201 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001345544305 1075129854 /nfs/dbraw/zinc/12/98/54/1075129854.db2.gz QRVOWLHHNZFKJZ-HYFYGGESSA-N 0 0 389.474 -1.307 20 0 GAADRN C[C@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)CN1CCOCC1 ZINC001345546565 1075129763 /nfs/dbraw/zinc/12/97/63/1075129763.db2.gz GEZQTOXQVJEICD-CYBMUJFWSA-N 0 0 377.445 -1.251 20 0 GAADRN C[C@@H](CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)CN1CCOCC1 ZINC001345546577 1075129816 /nfs/dbraw/zinc/12/98/16/1075129816.db2.gz GEZQTOXQVJEICD-ZDUSSCGKSA-N 0 0 377.445 -1.251 20 0 GAADRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001345549721 1075129739 /nfs/dbraw/zinc/12/97/39/1075129739.db2.gz VPPWTRSDSAPALV-GFCCVEGCSA-N 0 0 390.462 -1.173 20 0 GAADRN COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001345549722 1075129784 /nfs/dbraw/zinc/12/97/84/1075129784.db2.gz VPPWTRSDSAPALV-LBPRGKRZSA-N 0 0 390.462 -1.173 20 0 GAADRN COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001345549783 1075129844 /nfs/dbraw/zinc/12/98/44/1075129844.db2.gz WOGHIFYGWXNVET-CYBMUJFWSA-N 0 0 383.449 -1.434 20 0 GAADRN COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001345549791 1075129798 /nfs/dbraw/zinc/12/97/98/1075129798.db2.gz WOGHIFYGWXNVET-ZDUSSCGKSA-N 0 0 383.449 -1.434 20 0 GAADRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC001345554406 1075129897 /nfs/dbraw/zinc/12/98/97/1075129897.db2.gz PBVOSWOAUIWNHT-UHFFFAOYSA-N 0 0 386.478 -1.039 20 0 GAADRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001345555326 1075130406 /nfs/dbraw/zinc/13/04/06/1075130406.db2.gz UIABZYISWXZCFW-MNOVXSKESA-N 0 0 376.435 -1.613 20 0 GAADRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001345556052 1075130307 /nfs/dbraw/zinc/13/03/07/1075130307.db2.gz YNMHIXJCYYOYKP-UHFFFAOYSA-N 0 0 383.492 -1.629 20 0 GAADRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC001345557835 1075130269 /nfs/dbraw/zinc/13/02/69/1075130269.db2.gz LKHDOWCXWBQFHY-UHFFFAOYSA-N 0 0 389.474 -1.112 20 0 GAADRN CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001345558904 1075130401 /nfs/dbraw/zinc/13/04/01/1075130401.db2.gz SZGUVNVDVRLZRG-GFCCVEGCSA-N 0 0 389.865 -1.002 20 0 GAADRN CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001345558910 1075130261 /nfs/dbraw/zinc/13/02/61/1075130261.db2.gz SZGUVNVDVRLZRG-LBPRGKRZSA-N 0 0 389.865 -1.002 20 0 GAADRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC001345572110 1075130727 /nfs/dbraw/zinc/13/07/27/1075130727.db2.gz DOHMVFXYZCRBMN-CYBMUJFWSA-N 0 0 386.474 -1.296 20 0 GAADRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC001345572111 1075130780 /nfs/dbraw/zinc/13/07/80/1075130780.db2.gz DOHMVFXYZCRBMN-ZDUSSCGKSA-N 0 0 386.474 -1.296 20 0 GAADRN O=C(NCCOc1cccnc1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345576894 1075130732 /nfs/dbraw/zinc/13/07/32/1075130732.db2.gz IEHMSZDATWDECS-UHFFFAOYSA-N 0 0 386.430 -1.645 20 0 GAADRN O=C(CCNC(=O)C(=O)N1CC(CO)C1)N1CCN(c2ccccn2)CC1 ZINC001345577050 1075130745 /nfs/dbraw/zinc/13/07/45/1075130745.db2.gz JLBKBQXVRVXABP-UHFFFAOYSA-N 0 0 375.429 -1.313 20 0 GAADRN CN(CCNS(C)(=O)=O)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC001345578075 1075130742 /nfs/dbraw/zinc/13/07/42/1075130742.db2.gz OCFYYTQMACLUHX-UHFFFAOYSA-N 0 0 376.479 -1.097 20 0 GAADRN CC(C)CN1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001345582277 1075131157 /nfs/dbraw/zinc/13/11/57/1075131157.db2.gz AOPDECLRZZOBRV-UHFFFAOYSA-N 0 0 390.506 -1.435 20 0 GAADRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N1CCCC2(C1)OCCO2 ZINC001345582358 1075131235 /nfs/dbraw/zinc/13/12/35/1075131235.db2.gz BQMLFDHMFUCDOP-UHFFFAOYSA-N 0 0 391.446 -1.870 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC001345582359 1075131110 /nfs/dbraw/zinc/13/11/10/1075131110.db2.gz BRSLUFRYZWQSPA-NEPJUHHUSA-N 0 0 379.435 -2.627 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H](CO)O1 ZINC001345582360 1075131272 /nfs/dbraw/zinc/13/12/72/1075131272.db2.gz BRSLUFRYZWQSPA-NWDGAFQWSA-N 0 0 379.435 -2.627 20 0 GAADRN C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H](CO)O1 ZINC001345582361 1075131229 /nfs/dbraw/zinc/13/12/29/1075131229.db2.gz BRSLUFRYZWQSPA-RYUDHWBXSA-N 0 0 379.435 -2.627 20 0 GAADRN C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H](CO)O1 ZINC001345582362 1075131258 /nfs/dbraw/zinc/13/12/58/1075131258.db2.gz BRSLUFRYZWQSPA-VXGBXAGGSA-N 0 0 379.435 -2.627 20 0 GAADRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC001345582363 1075131265 /nfs/dbraw/zinc/13/12/65/1075131265.db2.gz BTHKCFFIIHTMFH-KBPBESRZSA-N 0 0 389.474 -1.162 20 0 GAADRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001345582364 1075131490 /nfs/dbraw/zinc/13/14/90/1075131490.db2.gz BTHKCFFIIHTMFH-KGLIPLIRSA-N 0 0 389.474 -1.162 20 0 GAADRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001345582366 1075131487 /nfs/dbraw/zinc/13/14/87/1075131487.db2.gz BTHKCFFIIHTMFH-UONOGXRCSA-N 0 0 389.474 -1.162 20 0 GAADRN O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001345582368 1075131465 /nfs/dbraw/zinc/13/14/65/1075131465.db2.gz BTHKCFFIIHTMFH-ZIAGYGMSSA-N 0 0 389.474 -1.162 20 0 GAADRN CC(C)(C)C(=O)NCCNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345582414 1075131447 /nfs/dbraw/zinc/13/14/47/1075131447.db2.gz CLOMLKMOGVIJOP-UHFFFAOYSA-N 0 0 392.478 -1.957 20 0 GAADRN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCN2C(=O)COc3ccccc32)C1 ZINC001345582443 1075131484 /nfs/dbraw/zinc/13/14/84/1075131484.db2.gz DAIIXDMXHGGTTH-LLVKDONJSA-N 0 0 396.425 -1.582 20 0 GAADRN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCN2C(=O)COc3ccccc32)C1 ZINC001345582445 1075131493 /nfs/dbraw/zinc/13/14/93/1075131493.db2.gz DAIIXDMXHGGTTH-NSHDSACASA-N 0 0 396.425 -1.582 20 0 GAADRN CN(CCN1CCOCC1)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345582794 1075131467 /nfs/dbraw/zinc/13/14/67/1075131467.db2.gz GIEQAUBKTFLQDZ-UHFFFAOYSA-N 0 0 392.478 -2.445 20 0 GAADRN COCC1=CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001345583126 1075131469 /nfs/dbraw/zinc/13/14/69/1075131469.db2.gz HMUUPFGHTWXEDL-UHFFFAOYSA-N 0 0 375.447 -1.430 20 0 GAADRN O=C(NCCOC[C@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345583136 1075131445 /nfs/dbraw/zinc/13/14/45/1075131445.db2.gz HWTMCBJLSGFCOM-CYBMUJFWSA-N 0 0 393.462 -1.924 20 0 GAADRN O=C(NCCOC[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001345583137 1075131471 /nfs/dbraw/zinc/13/14/71/1075131471.db2.gz HWTMCBJLSGFCOM-ZDUSSCGKSA-N 0 0 393.462 -1.924 20 0 GAADRN CC(=O)NC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001345583145 1075131477 /nfs/dbraw/zinc/13/14/77/1075131477.db2.gz IHJOGWUHTIDYFN-UHFFFAOYSA-N 0 0 390.462 -2.108 20 0 GAADRN NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001345583164 1075131479 /nfs/dbraw/zinc/13/14/79/1075131479.db2.gz JCBMVSPHGSVRLT-GFCCVEGCSA-N 0 0 390.462 -2.121 20 0 GAADRN NC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001345583165 1075131475 /nfs/dbraw/zinc/13/14/75/1075131475.db2.gz JCBMVSPHGSVRLT-LBPRGKRZSA-N 0 0 390.462 -2.121 20 0 GAADRN C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001345583190 1075131473 /nfs/dbraw/zinc/13/14/73/1075131473.db2.gz JQHMVEURWFPSHT-AWEZNQCLSA-N 0 0 376.435 -2.512 20 0 GAADRN C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001345583191 1075131482 /nfs/dbraw/zinc/13/14/82/1075131482.db2.gz JQHMVEURWFPSHT-CQSZACIVSA-N 0 0 376.435 -2.512 20 0 GAADRN CC1(C)C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CCO1 ZINC001345583195 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383.492 -1.630 20 0 GAADRN O=C(CCN1CCCS1(=O)=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001464189904 1075269113 /nfs/dbraw/zinc/26/91/13/1075269113.db2.gz ODZCTLOLRAJUBQ-LLVKDONJSA-N 0 0 381.476 -1.778 20 0 GAADRN O=C(CCN1CCCS1(=O)=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001464189924 1075269032 /nfs/dbraw/zinc/26/90/32/1075269032.db2.gz ODZCTLOLRAJUBQ-NSHDSACASA-N 0 0 381.476 -1.778 20 0 GAADRN O=c1[nH]c2ccc(S(=O)(=O)NCC34COCCN3CCOC4)cc2[nH]c1=O ZINC001464198358 1075268958 /nfs/dbraw/zinc/26/89/58/1075268958.db2.gz WOURDFYEDHJMMZ-UHFFFAOYSA-N 0 0 396.425 -1.404 20 0 GAADRN NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCC(=O)N2CCC(O)CC2)C1 ZINC001464218261 1075269069 /nfs/dbraw/zinc/26/90/69/1075269069.db2.gz YRPRWTPSIOXFJD-GFCCVEGCSA-N 0 0 376.479 -1.218 20 0 GAADRN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC(=O)N2CCC(O)CC2)C1 ZINC001464218267 1075269022 /nfs/dbraw/zinc/26/90/22/1075269022.db2.gz YRPRWTPSIOXFJD-LBPRGKRZSA-N 0 0 376.479 -1.218 20 0 GAADRN COC(=O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC1(C(=O)OC)CC1 ZINC001464226095 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395.459 -1.399 20 0 GAADRN COC(=O)C1=NO[C@@]2(CCN(S(=O)(=O)CC3CN(S(C)(=O)=O)C3)C2)C1 ZINC001464309119 1075269806 /nfs/dbraw/zinc/26/98/06/1075269806.db2.gz HRVQXMXZUVKIMX-ZDUSSCGKSA-N 0 0 395.459 -1.399 20 0 GAADRN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC001464314322 1075269813 /nfs/dbraw/zinc/26/98/13/1075269813.db2.gz WFJVRWZTFMCKLE-NEPJUHHUSA-N 0 0 387.466 -1.502 20 0 GAADRN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC001464314323 1075269867 /nfs/dbraw/zinc/26/98/67/1075269867.db2.gz WFJVRWZTFMCKLE-VXGBXAGGSA-N 0 0 387.466 -1.502 20 0 GAADRN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC001464314933 1075269833 /nfs/dbraw/zinc/26/98/33/1075269833.db2.gz XTUGFUBZPCFUPH-GFCCVEGCSA-N 0 0 383.448 -1.351 20 0 GAADRN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC001464314952 1075269782 /nfs/dbraw/zinc/26/97/82/1075269782.db2.gz XTUGFUBZPCFUPH-LBPRGKRZSA-N 0 0 383.448 -1.351 20 0 GAADRN 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-1.246 20 0 GAADRN CN1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C(=O)N1 ZINC001466411345 1075273994 /nfs/dbraw/zinc/27/39/94/1075273994.db2.gz XERBXSSRDJZBTP-LLVKDONJSA-N 0 0 389.455 -1.420 20 0 GAADRN CN1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)C(=O)N1 ZINC001466411349 1075273941 /nfs/dbraw/zinc/27/39/41/1075273941.db2.gz XERBXSSRDJZBTP-NSHDSACASA-N 0 0 389.455 -1.420 20 0 GAADRN CN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)C1=O ZINC001466463765 1075273924 /nfs/dbraw/zinc/27/39/24/1075273924.db2.gz ZVZPPFRGAZUSJL-UHFFFAOYSA-N 0 0 386.430 -1.872 20 0 GAADRN C[C@H]1CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CCN1S(C)(=O)=O ZINC001466478157 1075274318 /nfs/dbraw/zinc/27/43/18/1075274318.db2.gz VYDDMRLGLBOKLT-IGHBBLSQSA-N 0 0 399.473 -1.597 20 0 GAADRN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001466479050 1075274363 /nfs/dbraw/zinc/27/43/63/1075274363.db2.gz IVYVIQOBRTXFRP-LBPRGKRZSA-N 0 0 377.463 -1.463 20 0 GAADRN 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ZINC001466781935 1075274465 /nfs/dbraw/zinc/27/44/65/1075274465.db2.gz NSIHPIMRLDFKNH-TZMCWYRMSA-N 0 0 379.417 -1.144 20 0 GAADRN CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](C(=O)NC)C2)[C@H]1c1ccnn1C ZINC001466782169 1075274507 /nfs/dbraw/zinc/27/45/07/1075274507.db2.gz WDEWLQWIENWVJR-CFVMTHIKSA-N 0 0 379.417 -1.318 20 0 GAADRN CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](C(=O)NC)C2)[C@H]1c1ccnn1C ZINC001466782170 1075274514 /nfs/dbraw/zinc/27/45/14/1075274514.db2.gz WDEWLQWIENWVJR-YUELXQCFSA-N 0 0 379.417 -1.318 20 0 GAADRN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCCN1CCNC(=O)C1 ZINC001466784472 1075274519 /nfs/dbraw/zinc/27/45/19/1075274519.db2.gz GYCQQEZDCNNPCV-CYBMUJFWSA-N 0 0 379.392 -1.653 20 0 GAADRN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCCN1CCNC(=O)C1 ZINC001466784475 1075274537 /nfs/dbraw/zinc/27/45/37/1075274537.db2.gz GYCQQEZDCNNPCV-ZDUSSCGKSA-N 0 0 379.392 -1.653 20 0 GAADRN CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001466851540 1075274498 /nfs/dbraw/zinc/27/44/98/1075274498.db2.gz KTPDHKQNQLMXGZ-CABCVRRESA-N 0 0 399.473 -1.072 20 0 GAADRN CS(=O)(=O)CC1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)COC1 ZINC001466865742 1075274484 /nfs/dbraw/zinc/27/44/84/1075274484.db2.gz WHQOJUNYLCYIDV-UHFFFAOYSA-N 0 0 392.459 -1.696 20 0 GAADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001466906734 1075274491 /nfs/dbraw/zinc/27/44/91/1075274491.db2.gz NRLRCLDUMHJLAF-UHFFFAOYSA-N 0 0 397.457 -1.700 20 0 GAADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001466906744 1075274855 /nfs/dbraw/zinc/27/48/55/1075274855.db2.gz NWZCIOKDKZPGMK-LLVKDONJSA-N 0 0 385.446 -1.558 20 0 GAADRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001466906745 1075274791 /nfs/dbraw/zinc/27/47/91/1075274791.db2.gz NWZCIOKDKZPGMK-NSHDSACASA-N 0 0 385.446 -1.558 20 0 GAADRN CCn1[nH]c(C)nc1=NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001466921707 1075274881 /nfs/dbraw/zinc/27/48/81/1075274881.db2.gz GGESTDBIFUXDBH-UHFFFAOYSA-N 0 0 379.421 -1.437 20 0 GAADRN 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/nfs/dbraw/zinc/45/57/37/947455737.db2.gz XIDCSQMAYAPAEC-ONGXEEELSA-N 0 0 388.392 -1.403 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)[C@H]1CCC(=O)N1 ZINC001573603190 947478821 /nfs/dbraw/zinc/47/88/21/947478821.db2.gz DMXYTIVMZMDNBQ-GHMZBOCLSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCC(=O)N1 ZINC001573603191 947479229 /nfs/dbraw/zinc/47/92/29/947479229.db2.gz DMXYTIVMZMDNBQ-MNOVXSKESA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCC(=O)N1 ZINC001573603192 947479537 /nfs/dbraw/zinc/47/95/37/947479537.db2.gz DMXYTIVMZMDNBQ-QWRGUYRKSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)[C@H]1CCC(=O)N1 ZINC001573603193 947478749 /nfs/dbraw/zinc/47/87/49/947478749.db2.gz DMXYTIVMZMDNBQ-WDEREUQCSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nc1)S(C)(=O)=O ZINC001573603465 947486657 /nfs/dbraw/zinc/48/66/57/947486657.db2.gz HSFSWLWMRBPDDY-JTQLQIEISA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nc1)S(C)(=O)=O ZINC001573603466 947487956 /nfs/dbraw/zinc/48/79/56/947487956.db2.gz HSFSWLWMRBPDDY-SNVBAGLBSA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573604156 947505188 /nfs/dbraw/zinc/50/51/88/947505188.db2.gz LZQCUPSAMANNBF-JTQLQIEISA-N 0 0 388.392 -1.402 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573604157 947505206 /nfs/dbraw/zinc/50/52/06/947505206.db2.gz LZQCUPSAMANNBF-SNVBAGLBSA-N 0 0 388.392 -1.402 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cncn1 ZINC001573604563 947512814 /nfs/dbraw/zinc/51/28/14/947512814.db2.gz PDVILOVYBQFLDC-JTQLQIEISA-N 0 0 388.392 -1.402 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cncn1 ZINC001573604564 947514072 /nfs/dbraw/zinc/51/40/72/947514072.db2.gz PDVILOVYBQFLDC-SNVBAGLBSA-N 0 0 388.392 -1.402 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)S(C)(=O)=O ZINC001573604999 947522070 /nfs/dbraw/zinc/52/20/70/947522070.db2.gz RYFWYLIRAYLXGT-SECBINFHSA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)S(C)(=O)=O ZINC001573605000 947520941 /nfs/dbraw/zinc/52/09/41/947520941.db2.gz RYFWYLIRAYLXGT-VIFPVBQESA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)cn1)S(C)(=O)=O ZINC001573605296 947528140 /nfs/dbraw/zinc/52/81/40/947528140.db2.gz VDCUTGIQOWFPER-JTQLQIEISA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)cn1)S(C)(=O)=O ZINC001573605297 947529797 /nfs/dbraw/zinc/52/97/97/947529797.db2.gz VDCUTGIQOWFPER-SNVBAGLBSA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001573606931 947534132 /nfs/dbraw/zinc/53/41/32/947534132.db2.gz AWIHWVSSIJGDAV-MRVPVSSYSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001573606932 947534394 /nfs/dbraw/zinc/53/43/94/947534394.db2.gz AWIHWVSSIJGDAV-QMMMGPOBSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)S(C)(=O)=O ZINC001573606975 947535982 /nfs/dbraw/zinc/53/59/82/947535982.db2.gz BQKXKHCBMPFWFL-MRVPVSSYSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)S(C)(=O)=O ZINC001573606976 947536012 /nfs/dbraw/zinc/53/60/12/947536012.db2.gz BQKXKHCBMPFWFL-QMMMGPOBSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573606977 947537101 /nfs/dbraw/zinc/53/71/01/947537101.db2.gz BTAAJKZEFHBEPQ-GHMZBOCLSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573606978 947536156 /nfs/dbraw/zinc/53/61/56/947536156.db2.gz BTAAJKZEFHBEPQ-MNOVXSKESA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573606979 947537273 /nfs/dbraw/zinc/53/72/73/947537273.db2.gz BTAAJKZEFHBEPQ-QWRGUYRKSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573606980 947536535 /nfs/dbraw/zinc/53/65/35/947536535.db2.gz BTAAJKZEFHBEPQ-WDEREUQCSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573607193 947541955 /nfs/dbraw/zinc/54/19/55/947541955.db2.gz GVVNHDVVMWWRTA-MRVPVSSYSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573607194 947542003 /nfs/dbraw/zinc/54/20/03/947542003.db2.gz GVVNHDVVMWWRTA-QMMMGPOBSA-N 0 0 381.418 -1.089 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573607365 947547087 /nfs/dbraw/zinc/54/70/87/947547087.db2.gz LPHDSGSMNUOPFF-SECBINFHSA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573607366 947547310 /nfs/dbraw/zinc/54/73/10/947547310.db2.gz LPHDSGSMNUOPFF-VIFPVBQESA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573608052 947557213 /nfs/dbraw/zinc/55/72/13/947557213.db2.gz VHGUDRSZEUZZNL-SECBINFHSA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573608053 947557265 /nfs/dbraw/zinc/55/72/65/947557265.db2.gz VHGUDRSZEUZZNL-VIFPVBQESA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573608210 947556894 /nfs/dbraw/zinc/55/68/94/947556894.db2.gz WFLXCSVKBRMHLI-GHMZBOCLSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573608211 947556680 /nfs/dbraw/zinc/55/66/80/947556680.db2.gz WFLXCSVKBRMHLI-MNOVXSKESA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573608212 947556272 /nfs/dbraw/zinc/55/62/72/947556272.db2.gz WFLXCSVKBRMHLI-QWRGUYRKSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573608213 947557179 /nfs/dbraw/zinc/55/71/79/947557179.db2.gz WFLXCSVKBRMHLI-WDEREUQCSA-N 0 0 389.420 -1.196 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)S(C)(=O)=O ZINC001573608300 947558282 /nfs/dbraw/zinc/55/82/82/947558282.db2.gz XWPBOLRUJWODPL-SECBINFHSA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)S(C)(=O)=O ZINC001573608301 947559486 /nfs/dbraw/zinc/55/94/86/947559486.db2.gz XWPBOLRUJWODPL-VIFPVBQESA-N 0 0 384.422 -1.677 20 0 GAADRN C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001573608302 947558529 /nfs/dbraw/zinc/55/85/29/947558529.db2.gz YAXDHHWAFBJJNF-MRVPVSSYSA-N 0 0 381.418 -1.184 20 0 GAADRN C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001573608303 947558354 /nfs/dbraw/zinc/55/83/54/947558354.db2.gz YAXDHHWAFBJJNF-QMMMGPOBSA-N 0 0 381.418 -1.184 20 0 GAADRN C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573608334 947561235 /nfs/dbraw/zinc/56/12/35/947561235.db2.gz YMPKOAGKPDTPTR-JTQLQIEISA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573608336 947560525 /nfs/dbraw/zinc/56/05/25/947560525.db2.gz YMPKOAGKPDTPTR-SNVBAGLBSA-N 0 0 383.434 -1.072 20 0 GAADRN C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573613607 947567009 /nfs/dbraw/zinc/56/70/09/947567009.db2.gz DGYNDBXJBOXCPX-SECBINFHSA-N 0 0 386.376 -1.649 20 0 GAADRN C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573613608 947566013 /nfs/dbraw/zinc/56/60/13/947566013.db2.gz DGYNDBXJBOXCPX-VIFPVBQESA-N 0 0 386.376 -1.649 20 0 GAADRN C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)n1cccn1 ZINC001573613996 947576324 /nfs/dbraw/zinc/57/63/24/947576324.db2.gz KDQMRKISCMKFAV-JTQLQIEISA-N 0 0 385.388 -1.044 20 0 GAADRN C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)n1cccn1 ZINC001573613997 947575846 /nfs/dbraw/zinc/57/58/46/947575846.db2.gz KDQMRKISCMKFAV-SNVBAGLBSA-N 0 0 385.388 -1.044 20 0 GAADRN C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573615059 947598289 /nfs/dbraw/zinc/59/82/89/947598289.db2.gz PVSJESNNKCWHQR-JTQLQIEISA-N 0 0 385.388 -1.044 20 0 GAADRN C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573615060 947597514 /nfs/dbraw/zinc/59/75/14/947597514.db2.gz PVSJESNNKCWHQR-SNVBAGLBSA-N 0 0 385.388 -1.044 20 0 GAADRN C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)S(C)(=O)=O ZINC001573615295 947604195 /nfs/dbraw/zinc/60/41/95/947604195.db2.gz DDHJLBJGXOUHQQ-BDAKNGLRSA-N 0 0 381.418 -1.041 20 0 GAADRN C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)S(C)(=O)=O ZINC001573615305 947604145 /nfs/dbraw/zinc/60/41/45/947604145.db2.gz DDHJLBJGXOUHQQ-IUCAKERBSA-N 0 0 381.418 -1.041 20 0 GAADRN C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001573616487 947622710 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C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F)S(C)(=O)=O ZINC001573678404 948150741 /nfs/dbraw/zinc/15/07/41/948150741.db2.gz DIOAARJHDZCEAI-VXNVDRBHSA-N 0 0 387.397 -1.277 20 0 GAADRN C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573679238 948159961 /nfs/dbraw/zinc/15/99/61/948159961.db2.gz KAVMNZODLGTESU-BXKDBHETSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573679240 948159791 /nfs/dbraw/zinc/15/97/91/948159791.db2.gz KAVMNZODLGTESU-CABZTGNLSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573679242 948160415 /nfs/dbraw/zinc/16/04/15/948160415.db2.gz KAVMNZODLGTESU-JOYOIKCWSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573679244 948161034 /nfs/dbraw/zinc/16/10/34/948161034.db2.gz KAVMNZODLGTESU-SKDRFNHKSA-N 0 0 387.404 -1.061 20 0 GAADRN 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C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccnn1C ZINC001573689914 948221928 /nfs/dbraw/zinc/22/19/28/948221928.db2.gz AJBAZJJRTOLBOD-MWLCHTKSSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccnn1C ZINC001573689915 948220204 /nfs/dbraw/zinc/22/02/04/948220204.db2.gz AJBAZJJRTOLBOD-ONGXEEELSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573690254 948223986 /nfs/dbraw/zinc/22/39/86/948223986.db2.gz BXDCQMCYCIKSPW-BXKDBHETSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573690255 948222611 /nfs/dbraw/zinc/22/26/11/948222611.db2.gz BXDCQMCYCIKSPW-CABZTGNLSA-N 0 0 387.404 -1.061 20 0 GAADRN C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnn(C)c1 ZINC001573690256 948222580 /nfs/dbraw/zinc/22/25/80/948222580.db2.gz BXDCQMCYCIKSPW-JOYOIKCWSA-N 0 0 387.404 -1.061 20 0 GAADRN 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383.438 -1.099 20 0 GAADRN C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001574693118 949047807 /nfs/dbraw/zinc/04/78/07/949047807.db2.gz AMBNUKKIKAJFCC-LLVKDONJSA-N 0 0 388.436 -1.263 20 0 GAADRN C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001574693120 949046787 /nfs/dbraw/zinc/04/67/87/949046787.db2.gz AMBNUKKIKAJFCC-NSHDSACASA-N 0 0 388.436 -1.263 20 0 GAADRN C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CN1CCOCC1=O ZINC001574693155 949049894 /nfs/dbraw/zinc/04/98/94/949049894.db2.gz BDHJNFNSKPGLCD-JTQLQIEISA-N 0 0 375.393 -1.178 20 0 GAADRN C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CN1CCOCC1=O ZINC001574693156 949050551 /nfs/dbraw/zinc/05/05/51/949050551.db2.gz BDHJNFNSKPGLCD-SNVBAGLBSA-N 0 0 375.393 -1.178 20 0 GAADRN C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CCNS(C)(=O)=O ZINC001574695166 949105715 /nfs/dbraw/zinc/10/57/15/949105715.db2.gz DERYNQXMMINXDY-SECBINFHSA-N 0 0 383.438 -1.097 20 0 GAADRN C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CCNS(C)(=O)=O ZINC001574695167 949103947 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1075339435 /nfs/dbraw/zinc/33/94/35/1075339435.db2.gz MKFQLKZOTXXXFR-UHFFFAOYSA-N 0 0 390.408 -1.957 20 0 GAADRN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1cn[nH]n1 ZINC001577769292 1075339487 /nfs/dbraw/zinc/33/94/87/1075339487.db2.gz MSCXWNSOGDODHT-CMPLNLGQSA-N 0 0 377.405 -1.803 20 0 GAADRN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1cn[nH]n1 ZINC001577769297 1075339418 /nfs/dbraw/zinc/33/94/18/1075339418.db2.gz MSCXWNSOGDODHT-ZYHUDNBSSA-N 0 0 377.405 -1.803 20 0 GAADRN O=C(CC(=O)N[C@@H](CO)CNC(=O)CC1CCOCC1)NCc1cn[nH]n1 ZINC001577769306 1075339312 /nfs/dbraw/zinc/33/93/12/1075339312.db2.gz MWCXWYHDXLAXBH-CYBMUJFWSA-N 0 0 382.421 -1.779 20 0 GAADRN O=C(CC(=O)N[C@H](CO)CNC(=O)CC1CCOCC1)NCc1cn[nH]n1 ZINC001577769307 1075339506 /nfs/dbraw/zinc/33/95/06/1075339506.db2.gz MWCXWYHDXLAXBH-ZDUSSCGKSA-N 0 0 382.421 -1.779 20 0 GAADRN O=C(CO[C@@H]1CCOC1)N[C@@H]1CN(C(=O)CC(=O)NCc2cn[nH]n2)C[C@H]1O ZINC001577769312 1075339347 /nfs/dbraw/zinc/33/93/47/1075339347.db2.gz MYOHGFCXBUHOGU-JHJVBQTASA-N 0 0 396.404 -2.696 20 0 GAADRN O=C(CO[C@H]1CCOC1)N[C@@H]1CN(C(=O)CC(=O)NCc2cn[nH]n2)C[C@H]1O ZINC001577769315 1075339496 /nfs/dbraw/zinc/33/94/96/1075339496.db2.gz MYOHGFCXBUHOGU-YNEHKIRRSA-N 0 0 396.404 -2.696 20 0 GAADRN O=C(CC(=O)NC1(CNC(=O)c2cnn3cc[nH]c23)CC1)NCc1cn[nH]n1 ZINC001577769329 1075339477 /nfs/dbraw/zinc/33/94/77/1075339477.db2.gz NCBUEQHPWJEWOR-UHFFFAOYSA-N 0 0 385.388 -1.134 20 0 GAADRN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ncnn2)C1)NCc1cn[nH]n1 ZINC001577769336 1075339403 /nfs/dbraw/zinc/33/94/03/1075339403.db2.gz NCQLYYFZWMUEEC-WDEREUQCSA-N 0 0 390.408 -2.101 20 0 GAADRN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1conc1C1CC1)NCc1cn[nH]n1 ZINC001577769344 1075339410 /nfs/dbraw/zinc/33/94/10/1075339410.db2.gz NKJCCJGKRMITMD-LLVKDONJSA-N 0 0 391.388 -1.417 20 0 GAADRN O=C(CC(=O)N[C@H](CO)CNC(=O)c1conc1C1CC1)NCc1cn[nH]n1 ZINC001577769346 1075339394 /nfs/dbraw/zinc/33/93/94/1075339394.db2.gz NKJCCJGKRMITMD-NSHDSACASA-N 0 0 391.388 -1.417 20 0 GAADRN O=C(CC(=O)N1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](O)C1)NCc1cn[nH]n1 ZINC001577769353 1075339385 /nfs/dbraw/zinc/33/93/85/1075339385.db2.gz NMNKOBFJUQKYFP-OAGGEKHMSA-N 0 0 398.423 -1.161 20 0 GAADRN O=C(CC(=O)N1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](O)C1)NCc1cn[nH]n1 ZINC001577769356 1075339322 /nfs/dbraw/zinc/33/93/22/1075339322.db2.gz NMNKOBFJUQKYFP-XHSDSOJGSA-N 0 0 398.423 -1.161 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)NCc1cn[nH]n1 ZINC001577769357 1075339425 /nfs/dbraw/zinc/33/94/25/1075339425.db2.gz NNJPBPOUTNQILK-CAFXUDQZSA-N 0 0 376.417 -1.455 20 0 GAADRN O=C(CC(=O)N1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@@H](O)C1)NCc1cn[nH]n1 ZINC001577769366 1075339871 /nfs/dbraw/zinc/33/98/71/1075339871.db2.gz OBNDBABITDACBT-ZJUUUORDSA-N 0 0 386.359 -1.456 20 0 GAADRN O=C(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577769405 1075339818 /nfs/dbraw/zinc/33/98/18/1075339818.db2.gz OLEQPILBLWUPRG-MBNYWOFBSA-N 0 0 376.417 -1.093 20 0 GAADRN O=C(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577769406 1075339917 /nfs/dbraw/zinc/33/99/17/1075339917.db2.gz OLEQPILBLWUPRG-YRGRVCCFSA-N 0 0 376.417 -1.093 20 0 GAADRN O=C(CC(=O)N[C@H](CNC(=O)CN1CCCC1=O)C1CC1)NCc1cn[nH]n1 ZINC001577769442 1075339951 /nfs/dbraw/zinc/33/99/51/1075339951.db2.gz OTJGFXCLWVHWFF-CYBMUJFWSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1)NCc1cn[nH]n1 ZINC001577769444 1075339809 /nfs/dbraw/zinc/33/98/09/1075339809.db2.gz OTJGFXCLWVHWFF-ZDUSSCGKSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1)NCc1cn[nH]n1 ZINC001577769453 1075339911 /nfs/dbraw/zinc/33/99/11/1075339911.db2.gz OYVLZMPXSPGEQJ-VXGBXAGGSA-N 0 0 391.363 -1.653 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1)NCc1cn[nH]n1 ZINC001577769477 1075339797 /nfs/dbraw/zinc/33/97/97/1075339797.db2.gz PQQJJIVAYVOYLJ-ZIAGYGMSSA-N 0 0 387.400 -1.863 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1)NCc1cn[nH]n1 ZINC001577769479 1075339851 /nfs/dbraw/zinc/33/98/51/1075339851.db2.gz PRUFABYGUMZFMD-CHWSQXEVSA-N 0 0 391.363 -1.653 20 0 GAADRN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2cncn2)C1)NCc1cn[nH]n1 ZINC001577769493 1075339892 /nfs/dbraw/zinc/33/98/92/1075339892.db2.gz PXKONQSEQISTLT-NWDGAFQWSA-N 0 0 389.420 -1.496 20 0 GAADRN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577769507 1075339924 /nfs/dbraw/zinc/33/99/24/1075339924.db2.gz QEAFZWUQWXMBIZ-GXTWGEPZSA-N 0 0 386.416 -1.233 20 0 GAADRN O=C(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O)NCc1cn[nH]n1 ZINC001577769509 1075339830 /nfs/dbraw/zinc/33/98/30/1075339830.db2.gz QFGRXTWDVQWJAI-HBYGRHMLSA-N 0 0 385.384 -1.202 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1)NCc1cn[nH]n1 ZINC001577769522 1075339939 /nfs/dbraw/zinc/33/99/39/1075339939.db2.gz QJOKFIQUZSAHRW-GHMZBOCLSA-N 0 0 395.807 -1.206 20 0 GAADRN O=C(CC[C@H]1CCCO1)N[C@@H]1CN(C(=O)CC(=O)NCc2cn[nH]n2)C[C@@H]1O ZINC001577769536 1075339899 /nfs/dbraw/zinc/33/98/99/1075339899.db2.gz QWSCSDFGHHJBBJ-MCIONIFRSA-N 0 0 394.432 -1.542 20 0 GAADRN O=C(CC[C@@H]1CCCO1)N[C@@H]1CN(C(=O)CC(=O)NCc2cn[nH]n2)C[C@@H]1O ZINC001577769537 1075339947 /nfs/dbraw/zinc/33/99/47/1075339947.db2.gz QWSCSDFGHHJBBJ-MJBXVCDLSA-N 0 0 394.432 -1.542 20 0 GAADRN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577769567 1075339860 /nfs/dbraw/zinc/33/98/60/1075339860.db2.gz RNFXUPNYIRSGAR-SMDDNHRTSA-N 0 0 386.416 -1.164 20 0 GAADRN O=C(CC(=O)NC1CCN(C(=O)CNC(=O)C2CC2)CC1)NCc1cn[nH]n1 ZINC001577769635 1075339933 /nfs/dbraw/zinc/33/99/33/1075339933.db2.gz RVECMSYVNCQZLN-UHFFFAOYSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NCc1cn[nH]n1 ZINC001577769643 1075339879 /nfs/dbraw/zinc/33/98/79/1075339879.db2.gz SADJLOGGTRETOQ-AAEUAGOBSA-N 0 0 380.405 -1.809 20 0 GAADRN O=C(CC(=O)NC[C@H]1CCN(C(=O)[C@H]2COCCO2)C1)NCc1cn[nH]n1 ZINC001577769646 1075339943 /nfs/dbraw/zinc/33/99/43/1075339943.db2.gz SADJLOGGTRETOQ-DGCLKSJQSA-N 0 0 380.405 -1.809 20 0 GAADRN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1)NCc1cn[nH]n1 ZINC001577769647 1075340297 /nfs/dbraw/zinc/34/02/97/1075340297.db2.gz SADJLOGGTRETOQ-WCQYABFASA-N 0 0 380.405 -1.809 20 0 GAADRN O=C(CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NCc1cn[nH]n1 ZINC001577769649 1075340167 /nfs/dbraw/zinc/34/01/67/1075340167.db2.gz SADJLOGGTRETOQ-YPMHNXCESA-N 0 0 380.405 -1.809 20 0 GAADRN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577769652 1075340325 /nfs/dbraw/zinc/34/03/25/1075340325.db2.gz SARBNSMOYYBFHU-NEPJUHHUSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577769653 1075340267 /nfs/dbraw/zinc/34/02/67/1075340267.db2.gz SARBNSMOYYBFHU-NWDGAFQWSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577769655 1075340215 /nfs/dbraw/zinc/34/02/15/1075340215.db2.gz SARBNSMOYYBFHU-RYUDHWBXSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577769657 1075340149 /nfs/dbraw/zinc/34/01/49/1075340149.db2.gz SARBNSMOYYBFHU-VXGBXAGGSA-N 0 0 391.432 -1.556 20 0 GAADRN O=C(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1COC(=O)C1)NCc1cn[nH]n1 ZINC001577769686 1075340159 /nfs/dbraw/zinc/34/01/59/1075340159.db2.gz SJMMOKQJDGBXRR-DRZSPHRISA-N 0 0 390.400 -1.424 20 0 GAADRN O=C(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1COC(=O)C1)NCc1cn[nH]n1 ZINC001577769687 1075340121 /nfs/dbraw/zinc/34/01/21/1075340121.db2.gz SJMMOKQJDGBXRR-WXHSDQCUSA-N 0 0 390.400 -1.424 20 0 GAADRN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1)NCc1cn[nH]n1 ZINC001577769694 1075340231 /nfs/dbraw/zinc/34/02/31/1075340231.db2.gz SSXJMSIKECTENA-GFCCVEGCSA-N 0 0 377.361 -2.649 20 0 GAADRN O=C(CC(=O)N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1)NCc1cn[nH]n1 ZINC001577769696 1075340252 /nfs/dbraw/zinc/34/02/52/1075340252.db2.gz SSXJMSIKECTENA-LBPRGKRZSA-N 0 0 377.361 -2.649 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1)NCc1cn[nH]n1 ZINC001577769699 1075340102 /nfs/dbraw/zinc/34/01/02/1075340102.db2.gz SUHPMQHCGITMGN-GMTAPVOTSA-N 0 0 386.359 -1.456 20 0 GAADRN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1)NCc1cn[nH]n1 ZINC001577769701 1075340114 /nfs/dbraw/zinc/34/01/14/1075340114.db2.gz SUHPMQHCGITMGN-HBNTYKKESA-N 0 0 386.359 -1.456 20 0 GAADRN O=C(CCc1ccoc1)N[C@@H]1CN(C(=O)CC(=O)NCc2cn[nH]n2)C[C@H]1O ZINC001577769702 1075340175 /nfs/dbraw/zinc/34/01/75/1075340175.db2.gz SWWJFYAMTXIWFI-ZIAGYGMSSA-N 0 0 390.400 -1.275 20 0 GAADRN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1cn[nH]n1 ZINC001577769706 1075340186 /nfs/dbraw/zinc/34/01/86/1075340186.db2.gz SZODFMIDJFJXLF-CMPLNLGQSA-N 0 0 377.405 -1.946 20 0 GAADRN 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O=C(CN1C[C@@H](NC(=O)C2CCN(Cc3cn[nH]n3)CC2)[C@@H](O)C1)N1CCC1 ZINC001578019330 1075381905 /nfs/dbraw/zinc/38/19/05/1075381905.db2.gz LPLFAVVYNRNFKT-CVEARBPZSA-N 0 0 391.476 -1.590 20 0 GAADRN O=C(Cn1cnnn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001578019367 1075382031 /nfs/dbraw/zinc/38/20/31/1075382031.db2.gz MNFZBFOOXCRINQ-FRRDWIJNSA-N 0 0 390.408 -2.856 20 0 GAADRN O=C(N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc(-c2c[nH]nn2)cc1 ZINC001578019389 1075381967 /nfs/dbraw/zinc/38/19/67/1075381967.db2.gz NAINSYFVSNXNNZ-HUUCEWRRSA-N 0 0 399.411 -1.202 20 0 GAADRN O=C(CCOCc1cn[nH]n1)N1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001578019492 1075381990 /nfs/dbraw/zinc/38/19/90/1075381990.db2.gz NXBVWMBVVVOABR-YPMHNXCESA-N 0 0 376.373 -1.186 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001578019498 1075382193 /nfs/dbraw/zinc/38/21/93/1075382193.db2.gz OGTBJSPHNQQLLO-FUAJKEFHSA-N 0 0 393.444 -1.133 20 0 GAADRN O=C(Cn1cccn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001578019506 1075382047 /nfs/dbraw/zinc/38/20/47/1075382047.db2.gz OMRGSBJRYLQPOV-QLFBSQMISA-N 0 0 388.432 -1.646 20 0 GAADRN O=C(Cc1nnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001578019518 1075382084 /nfs/dbraw/zinc/38/20/84/1075382084.db2.gz PDFQOCSPIBBNDM-FRRDWIJNSA-N 0 0 389.420 -2.182 20 0 GAADRN O=C(CNC(=O)C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]n3)nc2)C1 ZINC001578019522 1075382110 /nfs/dbraw/zinc/38/21/10/1075382110.db2.gz PFIAEQSNEPDNQK-HUUCEWRRSA-N 0 0 399.411 -1.306 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C[C@@H]1O)c1n[nH]cc1F ZINC001578019543 1075381894 /nfs/dbraw/zinc/38/18/94/1075381894.db2.gz QSZVAYRWISLJIB-AGIUHOORSA-N 0 0 392.395 -1.367 20 0 GAADRN O=C(CCn1cnnn1)N1C[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)cc2)[C@@H](O)C1 ZINC001578019545 1075382166 /nfs/dbraw/zinc/38/21/66/1075382166.db2.gz QVNIDHVUYJWMCW-CABCVRRESA-N 0 0 397.399 -1.150 20 0 GAADRN O=C(CCOCc1cn[nH]n1)N1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 ZINC001578019571 1075382177 /nfs/dbraw/zinc/38/21/77/1075382177.db2.gz RNPWOHXEIPNUDE-OLZOCXBDSA-N 0 0 388.388 -1.311 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001578019666 1075382584 /nfs/dbraw/zinc/38/25/84/1075382584.db2.gz RXIKJTPQIMNFBR-CYZMBNFOSA-N 0 0 385.446 -1.750 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001578019669 1075382604 /nfs/dbraw/zinc/38/26/04/1075382604.db2.gz RXIKJTPQIMNFBR-RAIGVLPGSA-N 0 0 385.446 -1.750 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O)c1cncc(-c2c[nH]nn2)c1 ZINC001578019694 1075382536 /nfs/dbraw/zinc/38/25/36/1075382536.db2.gz SIIGZCYCIAFOHR-ZIAGYGMSSA-N 0 0 396.367 -1.022 20 0 GAADRN O=C(N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc(-c2cn[nH]n2)nc1 ZINC001578019712 1075382613 /nfs/dbraw/zinc/38/26/13/1075382613.db2.gz SPKSBOQQTLLDMC-CABCVRRESA-N 0 0 399.411 -1.209 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001578019713 1075382548 /nfs/dbraw/zinc/38/25/48/1075382548.db2.gz SQTKDNIEWQNHRU-WOPDTQHZSA-N 0 0 375.393 -2.111 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O)c1cncc(-c2c[nH]nn2)c1 ZINC001578019721 1075382557 /nfs/dbraw/zinc/38/25/57/1075382557.db2.gz TUDJDUSLJOOQJY-ZIAGYGMSSA-N 0 0 396.367 -1.435 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)c2cncc(-c3c[nH]nn3)c2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001578019749 1075382490 /nfs/dbraw/zinc/38/24/90/1075382490.db2.gz VQHMATYNSPCXFO-KGLIPLIRSA-N 0 0 396.367 -1.022 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C[C@H]1O)c1ccncn1 ZINC001578019757 1075382541 /nfs/dbraw/zinc/38/25/41/1075382541.db2.gz VWYJAJOUTXTGSS-QLFBSQMISA-N 0 0 386.416 -1.439 20 0 GAADRN O=C(Cc1nnc[nH]1)N1C[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)cn2)[C@@H](O)C1 ZINC001578019766 1075382461 /nfs/dbraw/zinc/38/24/61/1075382461.db2.gz WFAUVEJFPVJERI-OLZOCXBDSA-N 0 0 383.372 -1.471 20 0 GAADRN O=C(CCOCc1cn[nH]n1)N1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001578019788 1075382528 /nfs/dbraw/zinc/38/25/28/1075382528.db2.gz XHISHJGGTGTPRB-KGLIPLIRSA-N 0 0 389.416 -1.075 20 0 GAADRN O=C(N[C@@H]1CN(C(=O)C2CCN(Cc3cn[nH]n3)CC2)C[C@@H]1O)c1ccn[nH]1 ZINC001578019820 1075382520 /nfs/dbraw/zinc/38/25/20/1075382520.db2.gz YXGDCERZJPOVGI-CABCVRRESA-N 0 0 388.432 -1.259 20 0 GAADRN O=C(CCOCc1cn[nH]n1)N1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001578019864 1075382561 /nfs/dbraw/zinc/38/25/61/1075382561.db2.gz ZUGTUHUUVRVKJP-NEPJUHHUSA-N 0 0 377.361 -1.791 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001578019920 1075382502 /nfs/dbraw/zinc/38/25/02/1075382502.db2.gz AHMOPVYHTLJSLH-FZMZJTMJSA-N 0 0 386.416 -1.117 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1)[C@H]1COCCO1 ZINC001578019983 1075382477 /nfs/dbraw/zinc/38/24/77/1075382477.db2.gz BSWCDNGTFAEEOZ-AEGPPILISA-N 0 0 378.433 -1.098 20 0 GAADRN O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1)[C@@H]1COCCO1 ZINC001578019984 1075382509 /nfs/dbraw/zinc/38/25/09/1075382509.db2.gz BSWCDNGTFAEEOZ-QEJZJMRPSA-N 0 0 378.433 -1.098 20 0 GAADRN O=C(Cn1cnnn1)N1CC[C@H](NC(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001578020520 1075382553 /nfs/dbraw/zinc/38/25/53/1075382553.db2.gz RNRDGGFDPMPSJP-ZDUSSCGKSA-N 0 0 388.436 -1.580 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001578022031 1075382575 /nfs/dbraw/zinc/38/25/75/1075382575.db2.gz VDWAUUMVSMKQQE-QWHCGFSZSA-N 0 0 384.462 -1.074 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001578022035 1075382565 /nfs/dbraw/zinc/38/25/65/1075382565.db2.gz VDWAUUMVSMKQQE-STQMWFEESA-N 0 0 384.462 -1.074 20 0 GAADRN O=C(Cn1ncnn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2cn[nH]n2)nc1 ZINC001578022406 1075382899 /nfs/dbraw/zinc/38/28/99/1075382899.db2.gz MWLRMIDURWQFGS-HBYGRHMLSA-N 0 0 380.372 -1.260 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001578022766 1075383013 /nfs/dbraw/zinc/38/30/13/1075383013.db2.gz MLTATFGHIJVASZ-CZXHOFHRSA-N 0 0 382.446 -1.608 20 0 GAADRN O=C(CCCc1cn[nH]n1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001578022767 1075383029 /nfs/dbraw/zinc/38/30/29/1075383029.db2.gz MLTATFGHIJVASZ-KZVDOYCCSA-N 0 0 382.446 -1.608 20 0 GAADRN O=C(c1ccc2nnnn2c1)N1CC(n2cc(CNCc3cn[nH]n3)nn2)C1 ZINC001578034985 1075383055 /nfs/dbraw/zinc/38/30/55/1075383055.db2.gz IYBQIDOQVWLTKZ-UHFFFAOYSA-N 0 0 380.376 -1.179 20 0 GAADRN CCN(CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(-c2nn[nH]n2)nn1 ZINC001578036888 1075382907 /nfs/dbraw/zinc/38/29/07/1075382907.db2.gz FIVZDEYLCUBJFI-UHFFFAOYSA-N 0 0 386.376 -1.438 20 0 GAADRN O=C(c1ccon1)N1CC(S(=O)(=O)N2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001578036926 1075382846 /nfs/dbraw/zinc/38/28/46/1075382846.db2.gz FBZGAHUPGGIMFS-UHFFFAOYSA-N 0 0 381.418 -1.235 20 0 GAADRN CCN(CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1cncc(-c2nn[nH]n2)n1 ZINC001578037379 1075382950 /nfs/dbraw/zinc/38/29/50/1075382950.db2.gz HMNZIQPNHREBTC-UHFFFAOYSA-N 0 0 386.376 -1.438 20 0 GAADRN CCN(CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nccnc1-c1nn[nH]n1 ZINC001578037634 1075382961 /nfs/dbraw/zinc/38/29/61/1075382961.db2.gz KFFKROFWVJQYKJ-UHFFFAOYSA-N 0 0 386.376 -1.438 20 0 GAADRN CCN(CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1cnc(-c2nn[nH]n2)cn1 ZINC001578038256 1075382930 /nfs/dbraw/zinc/38/29/30/1075382930.db2.gz RZUVDDMATFVZAR-UHFFFAOYSA-N 0 0 386.376 -1.438 20 0 GAADRN O=C(c1cn[nH]c(=O)c1)N1CCN(CCc2cn[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001578038615 1075382942 /nfs/dbraw/zinc/38/29/42/1075382942.db2.gz FNWSXKKFNFTRKT-QWHCGFSZSA-N 0 0 393.429 -1.534 20 0 GAADRN O=C(c1csc(CO)n1)N1CCN(S(=O)(=O)NCc2cn[nH]n2)CC1 ZINC001578041453 1075382828 /nfs/dbraw/zinc/38/28/28/1075382828.db2.gz BSTYPXSKZLNZDZ-UHFFFAOYSA-N 0 0 387.447 -1.454 20 0 GAADRN O=C(c1cnsn1)N1CCN(CCc2cn[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001578041748 1075383064 /nfs/dbraw/zinc/38/30/64/1075383064.db2.gz GHZGTWBSWKUSTF-NWDGAFQWSA-N 0 0 383.459 -1.178 20 0 GAADRN O=C(CCOCc1cn[nH]n1)N1[C@@H]2CC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001578044761 1075382870 /nfs/dbraw/zinc/38/28/70/1075382870.db2.gz AJHDWUKHWBICRX-OKILXGFUSA-N 0 0 391.432 -1.062 20 0 GAADRN O=C(Cc1ccccc1-c1c[nH]nn1)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O ZINC001578044819 1075383339 /nfs/dbraw/zinc/38/33/39/1075383339.db2.gz ATRKEULZGURXLF-BMFZPTHFSA-N 0 0 398.423 -1.019 20 0 GAADRN CCN(CCNC(=O)Cn1nc(C)n(C)c1=O)c1nccnc1-c1nn[nH]n1 ZINC001578044822 1075383440 /nfs/dbraw/zinc/38/34/40/1075383440.db2.gz DGEBVZDEZBOMAD-UHFFFAOYSA-N 0 0 387.408 -1.497 20 0 GAADRN CCN(CCNC(=O)Cn1nc(C)n(C)c1=O)c1ccc(-c2nn[nH]n2)nn1 ZINC001578044849 1075383472 /nfs/dbraw/zinc/38/34/72/1075383472.db2.gz DVONUWCFNNPNHV-UHFFFAOYSA-N 0 0 387.408 -1.497 20 0 GAADRN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1)[C@@H]1CCC(=O)N1 ZINC001578044874 1075383483 /nfs/dbraw/zinc/38/34/83/1075383483.db2.gz BORNSJPLDAJWGA-IMIFBBOLSA-N 0 0 375.433 -1.189 20 0 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CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226323 1075406314 /nfs/dbraw/zinc/40/63/14/1075406314.db2.gz PBXZVISOQLYSGQ-WCQYABFASA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226324 1075406421 /nfs/dbraw/zinc/40/64/21/1075406421.db2.gz PBXZVISOQLYSGQ-YPMHNXCESA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226329 1075406542 /nfs/dbraw/zinc/40/65/42/1075406542.db2.gz PDBSFLKGWTZGLD-CMPLNLGQSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226330 1075406404 /nfs/dbraw/zinc/40/64/04/1075406404.db2.gz PDBSFLKGWTZGLD-JQWIXIFHSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226331 1075406358 /nfs/dbraw/zinc/40/63/58/1075406358.db2.gz PDBSFLKGWTZGLD-PWSUYJOCSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226332 1075406498 /nfs/dbraw/zinc/40/64/98/1075406498.db2.gz PDBSFLKGWTZGLD-ZYHUDNBSSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578226345 1075406514 /nfs/dbraw/zinc/40/65/14/1075406514.db2.gz PEKKFVNZZMEPNN-GWCFXTLKSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578226346 1075406390 /nfs/dbraw/zinc/40/63/90/1075406390.db2.gz PEKKFVNZZMEPNN-GXFFZTMASA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578226347 1075406433 /nfs/dbraw/zinc/40/64/33/1075406433.db2.gz PEKKFVNZZMEPNN-MFKMUULPSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578226348 1075406531 /nfs/dbraw/zinc/40/65/31/1075406531.db2.gz PEKKFVNZZMEPNN-ZWNOBZJWSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001578226351 1075406469 /nfs/dbraw/zinc/40/64/69/1075406469.db2.gz PIMGIQXHXNXUFV-AAEUAGOBSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001578226352 1075406455 /nfs/dbraw/zinc/40/64/55/1075406455.db2.gz PIMGIQXHXNXUFV-DGCLKSJQSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001578226353 1075406555 /nfs/dbraw/zinc/40/65/55/1075406555.db2.gz PIMGIQXHXNXUFV-WCQYABFASA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 ZINC001578226354 1075406327 /nfs/dbraw/zinc/40/63/27/1075406327.db2.gz PIMGIQXHXNXUFV-YPMHNXCESA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578226473 1075406909 /nfs/dbraw/zinc/40/69/09/1075406909.db2.gz RFXTWQSPMUHCLP-CYBMUJFWSA-N 0 0 391.436 -1.390 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578226474 1075407042 /nfs/dbraw/zinc/40/70/42/1075407042.db2.gz RFXTWQSPMUHCLP-ZDUSSCGKSA-N 0 0 391.436 -1.390 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226517 1075406841 /nfs/dbraw/zinc/40/68/41/1075406841.db2.gz SDYPWLPSIRRGMH-AAEUAGOBSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226518 1075406857 /nfs/dbraw/zinc/40/68/57/1075406857.db2.gz SDYPWLPSIRRGMH-DGCLKSJQSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226519 1075406933 /nfs/dbraw/zinc/40/69/33/1075406933.db2.gz SDYPWLPSIRRGMH-WCQYABFASA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001578226520 1075406983 /nfs/dbraw/zinc/40/69/83/1075406983.db2.gz SDYPWLPSIRRGMH-YPMHNXCESA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578226549 1075407073 /nfs/dbraw/zinc/40/70/73/1075407073.db2.gz SUNLDZZTWJABPY-AAEUAGOBSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578226550 1075407000 /nfs/dbraw/zinc/40/70/00/1075407000.db2.gz SUNLDZZTWJABPY-DGCLKSJQSA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578226551 1075407060 /nfs/dbraw/zinc/40/70/60/1075407060.db2.gz SUNLDZZTWJABPY-WCQYABFASA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578226552 1075406944 /nfs/dbraw/zinc/40/69/44/1075406944.db2.gz SUNLDZZTWJABPY-YPMHNXCESA-N 0 0 392.420 -1.878 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578226627 1075406875 /nfs/dbraw/zinc/40/68/75/1075406875.db2.gz UVORSQJMIKZUDG-CMPLNLGQSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578226628 1075406828 /nfs/dbraw/zinc/40/68/28/1075406828.db2.gz UVORSQJMIKZUDG-JQWIXIFHSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578226629 1075406961 /nfs/dbraw/zinc/40/69/61/1075406961.db2.gz UVORSQJMIKZUDG-PWSUYJOCSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578226630 1075406811 /nfs/dbraw/zinc/40/68/11/1075406811.db2.gz UVORSQJMIKZUDG-ZYHUDNBSSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578226669 1075406888 /nfs/dbraw/zinc/40/68/88/1075406888.db2.gz VPVORUYPDZXFDD-CHWSQXEVSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578226670 1075407524 /nfs/dbraw/zinc/40/75/24/1075407524.db2.gz VPVORUYPDZXFDD-OLZOCXBDSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578226671 1075407541 /nfs/dbraw/zinc/40/75/41/1075407541.db2.gz VPVORUYPDZXFDD-QWHCGFSZSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001578226672 1075407507 /nfs/dbraw/zinc/40/75/07/1075407507.db2.gz VPVORUYPDZXFDD-STQMWFEESA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226803 1075407388 /nfs/dbraw/zinc/40/73/88/1075407388.db2.gz YBGOUFIOJREISO-AAEUAGOBSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226804 1075407432 /nfs/dbraw/zinc/40/74/32/1075407432.db2.gz YBGOUFIOJREISO-DGCLKSJQSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226805 1075407379 /nfs/dbraw/zinc/40/73/79/1075407379.db2.gz YBGOUFIOJREISO-WCQYABFASA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578226806 1075407531 /nfs/dbraw/zinc/40/75/31/1075407531.db2.gz YBGOUFIOJREISO-YPMHNXCESA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226883 1075407367 /nfs/dbraw/zinc/40/73/67/1075407367.db2.gz ZNLLNAMITBQJDU-NEPJUHHUSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226884 1075407463 /nfs/dbraw/zinc/40/74/63/1075407463.db2.gz ZNLLNAMITBQJDU-NWDGAFQWSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226885 1075407358 /nfs/dbraw/zinc/40/73/58/1075407358.db2.gz ZNLLNAMITBQJDU-RYUDHWBXSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226886 1075407478 /nfs/dbraw/zinc/40/74/78/1075407478.db2.gz ZNLLNAMITBQJDU-VXGBXAGGSA-N 0 0 391.436 -1.391 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578226893 1075407860 /nfs/dbraw/zinc/40/78/60/1075407860.db2.gz ZRVJJXLVVDRJFO-GXTWGEPZSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578226894 1075407876 /nfs/dbraw/zinc/40/78/76/1075407876.db2.gz ZRVJJXLVVDRJFO-JSGCOSHPSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578226895 1075408020 /nfs/dbraw/zinc/40/80/20/1075408020.db2.gz ZRVJJXLVVDRJFO-OCCSQVGLSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001578226896 1075407824 /nfs/dbraw/zinc/40/78/24/1075407824.db2.gz ZRVJJXLVVDRJFO-TZMCWYRMSA-N 0 0 376.421 -1.129 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226897 1075408002 /nfs/dbraw/zinc/40/80/02/1075408002.db2.gz ZTALHCLBFYEQNL-GHMZBOCLSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226898 1075407936 /nfs/dbraw/zinc/40/79/36/1075407936.db2.gz ZTALHCLBFYEQNL-MNOVXSKESA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226899 1075407983 /nfs/dbraw/zinc/40/79/83/1075407983.db2.gz ZTALHCLBFYEQNL-QWRGUYRKSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001578226900 1075408028 /nfs/dbraw/zinc/40/80/28/1075408028.db2.gz ZTALHCLBFYEQNL-WDEREUQCSA-N 0 0 377.409 -1.734 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001578227353 1075407993 /nfs/dbraw/zinc/40/79/93/1075407993.db2.gz DURDXHOBVHCCSQ-OICBVUGWSA-N 0 0 385.432 -1.072 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001578227354 1075407841 /nfs/dbraw/zinc/40/78/41/1075407841.db2.gz DURDXHOBVHCCSQ-YODMDTAWSA-N 0 0 385.432 -1.072 20 0 GAADRN CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001578227384 1075407888 /nfs/dbraw/zinc/40/78/88/1075407888.db2.gz FXLRPUASLRGALC-OICBVUGWSA-N 0 0 385.432 -1.072 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001578227385 1075407949 /nfs/dbraw/zinc/40/79/49/1075407949.db2.gz FXLRPUASLRGALC-YODMDTAWSA-N 0 0 385.432 -1.072 20 0 GAADRN CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001578227408 1075407965 /nfs/dbraw/zinc/40/79/65/1075407965.db2.gz GPIPOBIXXPEYCJ-FRRDWIJNSA-N 0 0 389.420 -1.957 20 0 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ZINC001578228836 1075408884 /nfs/dbraw/zinc/40/88/84/1075408884.db2.gz QODVEONCIJDKRO-MRXNPFEDSA-N 0 0 389.420 -1.370 20 0 GAADRN CCNC(=O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578228928 1075409024 /nfs/dbraw/zinc/40/90/24/1075409024.db2.gz SUTVLXZFDYQHJT-INIZCTEOSA-N 0 0 390.404 -1.586 20 0 GAADRN CCNC(=O)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578228929 1075408814 /nfs/dbraw/zinc/40/88/14/1075408814.db2.gz SUTVLXZFDYQHJT-MRXNPFEDSA-N 0 0 390.404 -1.586 20 0 GAADRN CCNC(=O)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[nH]n1 ZINC001578229098 1075408965 /nfs/dbraw/zinc/40/89/65/1075408965.db2.gz ULOWPNRYODUQRK-JTQLQIEISA-N 0 0 375.393 -1.496 20 0 GAADRN CCNC(=O)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[nH]n1 ZINC001578229101 1075408867 /nfs/dbraw/zinc/40/88/67/1075408867.db2.gz ULOWPNRYODUQRK-SNVBAGLBSA-N 0 0 375.393 -1.496 20 0 GAADRN CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001578229135 1075409301 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/nfs/dbraw/zinc/42/25/64/1075422564.db2.gz NPSRUQHSJUIWLI-SECBINFHSA-N 0 0 383.438 -1.463 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001578414599 1075422574 /nfs/dbraw/zinc/42/25/74/1075422574.db2.gz NPSRUQHSJUIWLI-VIFPVBQESA-N 0 0 383.438 -1.463 20 0 GAADRN CCS(=O)(=O)N(C)CC(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001578414613 1075422496 /nfs/dbraw/zinc/42/24/96/1075422496.db2.gz NXMGBSYDWNNVEK-UHFFFAOYSA-N 0 0 383.438 -1.509 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001578414648 1075422785 /nfs/dbraw/zinc/42/27/85/1075422785.db2.gz PGXUXOBFDZKVSS-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001578414649 1075422902 /nfs/dbraw/zinc/42/29/02/1075422902.db2.gz PGXUXOBFDZKVSS-VIFPVBQESA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001578414653 1075422798 /nfs/dbraw/zinc/42/27/98/1075422798.db2.gz PKBXSMPZSZWPCI-SECBINFHSA-N 0 0 381.422 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CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578414685 1075422894 /nfs/dbraw/zinc/42/28/94/1075422894.db2.gz QMDITSRPGPEOQK-IUCAKERBSA-N 0 0 383.438 -1.099 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001578414686 1075422887 /nfs/dbraw/zinc/42/28/87/1075422887.db2.gz QMDITSRPGPEOQK-RKDXNWHRSA-N 0 0 383.438 -1.099 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001578414689 1075422908 /nfs/dbraw/zinc/42/29/08/1075422908.db2.gz QRLAZLHQUOVHGR-UHFFFAOYSA-N 0 0 383.438 -1.225 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001578414692 1075422915 /nfs/dbraw/zinc/42/29/15/1075422915.db2.gz QYSGOKLVEHUCGS-SECBINFHSA-N 0 0 383.438 -1.463 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001578414693 1075422827 /nfs/dbraw/zinc/42/28/27/1075422827.db2.gz QYSGOKLVEHUCGS-VIFPVBQESA-N 0 0 383.438 -1.463 20 0 GAADRN CCS(=O)(=O)N(C)CC(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001578414695 1075422880 /nfs/dbraw/zinc/42/28/80/1075422880.db2.gz REGPHRNUDJRMLZ-UHFFFAOYSA-N 0 0 383.438 -1.509 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578414714 1075423308 /nfs/dbraw/zinc/42/33/08/1075423308.db2.gz RRWVFRBSJQBFGJ-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001578414715 1075423334 /nfs/dbraw/zinc/42/33/34/1075423334.db2.gz RRWVFRBSJQBFGJ-VIFPVBQESA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001578414719 1075423248 /nfs/dbraw/zinc/42/32/48/1075423248.db2.gz RUHVHJNQFJVMAS-UHFFFAOYSA-N 0 0 381.422 -1.755 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578414729 1075423292 /nfs/dbraw/zinc/42/32/92/1075423292.db2.gz SEEQQULCPZEGCA-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578414730 1075423272 /nfs/dbraw/zinc/42/32/72/1075423272.db2.gz SEEQQULCPZEGCA-VIFPVBQESA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578414759 1075423388 /nfs/dbraw/zinc/42/33/88/1075423388.db2.gz UVUKUAQPXVTLNK-UHFFFAOYSA-N 0 0 382.406 -1.925 20 0 GAADRN CCS(=O)(=O)N(C)CC(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001578414770 1075423360 /nfs/dbraw/zinc/42/33/60/1075423360.db2.gz VHAQYLUTAUUDCR-UHFFFAOYSA-N 0 0 383.438 -1.192 20 0 GAADRN CCS(=O)(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001578414772 1075423322 /nfs/dbraw/zinc/42/33/22/1075423322.db2.gz VILQXIQLKRUTJH-UHFFFAOYSA-N 0 0 381.422 -1.755 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001578414782 1075423299 /nfs/dbraw/zinc/42/32/99/1075423299.db2.gz VMYSQPSHKZODPN-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001578414783 1075423230 /nfs/dbraw/zinc/42/32/30/1075423230.db2.gz VMYSQPSHKZODPN-VIFPVBQESA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001578414801 1075423348 /nfs/dbraw/zinc/42/33/48/1075423348.db2.gz WNBCWWUYJULIFJ-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001578414802 1075423368 /nfs/dbraw/zinc/42/33/68/1075423368.db2.gz WNBCWWUYJULIFJ-VIFPVBQESA-N 0 0 383.438 -1.145 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578414804 1075423379 /nfs/dbraw/zinc/42/33/79/1075423379.db2.gz WPYBSVKTIKYUPK-BDAKNGLRSA-N 0 0 383.438 -1.099 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578414805 1075423832 /nfs/dbraw/zinc/42/38/32/1075423832.db2.gz WPYBSVKTIKYUPK-DTWKUNHWSA-N 0 0 383.438 -1.099 20 0 GAADRN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578414806 1075423753 /nfs/dbraw/zinc/42/37/53/1075423753.db2.gz WPYBSVKTIKYUPK-IUCAKERBSA-N 0 0 383.438 -1.099 20 0 GAADRN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001578414807 1075423792 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CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](CNC(=O)c3nnn(C)n3)C2)n1 ZINC001578581173 1075431201 /nfs/dbraw/zinc/43/12/01/1075431201.db2.gz QFRWKKJKXQOGEU-SECBINFHSA-N 0 0 384.408 -1.001 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](CNC(=O)c3nnn(C)n3)C2)n1 ZINC001578581174 1075431655 /nfs/dbraw/zinc/43/16/55/1075431655.db2.gz QFRWKKJKXQOGEU-VIFPVBQESA-N 0 0 384.408 -1.001 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@](C)(NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001578581268 1075431624 /nfs/dbraw/zinc/43/16/24/1075431624.db2.gz SQEULEFXLGITOD-HWPZZCPQSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@](C)(NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001578581269 1075431634 /nfs/dbraw/zinc/43/16/34/1075431634.db2.gz SQEULEFXLGITOD-MGPLVRAMSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@](C)(NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001578581270 1075431643 /nfs/dbraw/zinc/43/16/43/1075431643.db2.gz SQEULEFXLGITOD-QFYYESIMSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@](C)(NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001578581271 1075431658 /nfs/dbraw/zinc/43/16/58/1075431658.db2.gz SQEULEFXLGITOD-QLJPJBMISA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](N(C)C(=O)Cn3ncnn3)C2)n1 ZINC001578584797 1075431618 /nfs/dbraw/zinc/43/16/18/1075431618.db2.gz OVNBAUZSWGKNRF-JTQLQIEISA-N 0 0 384.408 -1.057 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](N(C)C(=O)Cn3ncnn3)C2)n1 ZINC001578584799 1075431600 /nfs/dbraw/zinc/43/16/00/1075431600.db2.gz OVNBAUZSWGKNRF-SNVBAGLBSA-N 0 0 384.408 -1.057 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](N(C)C(=O)Cn3cnnn3)C2)n1 ZINC001578585629 1075431605 /nfs/dbraw/zinc/43/16/05/1075431605.db2.gz UXRKXFSWWIFWLR-JTQLQIEISA-N 0 0 384.408 -1.057 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](N(C)C(=O)Cn3cnnn3)C2)n1 ZINC001578585630 1075431629 /nfs/dbraw/zinc/43/16/29/1075431629.db2.gz UXRKXFSWWIFWLR-SNVBAGLBSA-N 0 0 384.408 -1.057 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001578585852 1075431676 /nfs/dbraw/zinc/43/16/76/1075431676.db2.gz XFZMPFCPKSMPNB-LLVKDONJSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001578585853 1075431584 /nfs/dbraw/zinc/43/15/84/1075431584.db2.gz XFZMPFCPKSMPNB-NSHDSACASA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)n1 ZINC001578586345 1075431594 /nfs/dbraw/zinc/43/15/94/1075431594.db2.gz CTCVAXOGODCSKH-JTQLQIEISA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)n1 ZINC001578586346 1075431613 /nfs/dbraw/zinc/43/16/13/1075431613.db2.gz CTCVAXOGODCSKH-SNVBAGLBSA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC(NC(=O)Cn3ncnn3)CC2)n1 ZINC001578586404 1075431589 /nfs/dbraw/zinc/43/15/89/1075431589.db2.gz DWPUTPPBFWZEQJ-UHFFFAOYSA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@](O)(CNC(=O)CNC(C)=O)C2)n1 ZINC001578587149 1075431663 /nfs/dbraw/zinc/43/16/63/1075431663.db2.gz XEGMPDQFUDBFEO-INIZCTEOSA-N 0 0 389.420 -1.587 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@](O)(CNC(=O)CNC(C)=O)C2)n1 ZINC001578587150 1075431638 /nfs/dbraw/zinc/43/16/38/1075431638.db2.gz XEGMPDQFUDBFEO-MRXNPFEDSA-N 0 0 389.420 -1.587 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)n1 ZINC001578588232 1075431652 /nfs/dbraw/zinc/43/16/52/1075431652.db2.gz FYPGNKRYDOYHLA-JTQLQIEISA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)n1 ZINC001578588233 1075431647 /nfs/dbraw/zinc/43/16/47/1075431647.db2.gz FYPGNKRYDOYHLA-SNVBAGLBSA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCCN(C(=O)Cn3cnnn3)CC2)n1 ZINC001578588695 1075431671 /nfs/dbraw/zinc/43/16/71/1075431671.db2.gz KDFUHFSFYZNMIA-UHFFFAOYSA-N 0 0 384.408 -1.056 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001578590933 1075431576 /nfs/dbraw/zinc/43/15/76/1075431576.db2.gz LKVVMMRWLKRLOX-JTQLQIEISA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001578590934 1075432200 /nfs/dbraw/zinc/43/22/00/1075432200.db2.gz LKVVMMRWLKRLOX-SNVBAGLBSA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001578592020 1075432256 /nfs/dbraw/zinc/43/22/56/1075432256.db2.gz UYPQNMOMDJGVBG-GXSJLCMTSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001578592021 1075432120 /nfs/dbraw/zinc/43/21/20/1075432120.db2.gz UYPQNMOMDJGVBG-ONGXEEELSA-N 0 0 386.420 -1.015 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001578592205 1075432172 /nfs/dbraw/zinc/43/21/72/1075432172.db2.gz WPVLYZXXDDGFMO-JTQLQIEISA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001578592206 1075432091 /nfs/dbraw/zinc/43/20/91/1075432091.db2.gz WPVLYZXXDDGFMO-SNVBAGLBSA-N 0 0 384.408 -1.009 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)n1 ZINC001578592560 1075432050 /nfs/dbraw/zinc/43/20/50/1075432050.db2.gz KXVTUKOXCWNQHE-LLVKDONJSA-N 0 0 386.420 -1.109 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)n1 ZINC001578592561 1075432241 /nfs/dbraw/zinc/43/22/41/1075432241.db2.gz KXVTUKOXCWNQHE-NSHDSACASA-N 0 0 386.420 -1.109 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCN(CCN(C)C(=O)C(N)=O)CC2)n1 ZINC001578593946 1075432268 /nfs/dbraw/zinc/43/22/68/1075432268.db2.gz MPPPESNJZYNSSN-UHFFFAOYSA-N 0 0 388.436 -1.715 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCO[C@H](CNC(=O)c3nnc[nH]3)C2)n1 ZINC001578593992 1075432107 /nfs/dbraw/zinc/43/21/07/1075432107.db2.gz OFEHEPDTLCKDKN-SECBINFHSA-N 0 0 385.392 -1.028 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCO[C@@H](CNC(=O)c3nnc[nH]3)C2)n1 ZINC001578593993 1075432185 /nfs/dbraw/zinc/43/21/85/1075432185.db2.gz OFEHEPDTLCKDKN-VIFPVBQESA-N 0 0 385.392 -1.028 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001578593994 1075432066 /nfs/dbraw/zinc/43/20/66/1075432066.db2.gz OFHDBIPKDFBXOT-KOLCDFICSA-N 0 0 386.420 -1.062 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001578593995 1075432149 /nfs/dbraw/zinc/43/21/49/1075432149.db2.gz OFHDBIPKDFBXOT-MWLCHTKSSA-N 0 0 386.420 -1.062 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCOC[C@H]2CNC(=O)c2nnc[nH]2)n1 ZINC001578594107 1075432291 /nfs/dbraw/zinc/43/22/91/1075432291.db2.gz TXFSGYOAKBVWEO-SECBINFHSA-N 0 0 385.392 -1.028 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCOC[C@@H]2CNC(=O)c2nnc[nH]2)n1 ZINC001578594108 1075432230 /nfs/dbraw/zinc/43/22/30/1075432230.db2.gz TXFSGYOAKBVWEO-VIFPVBQESA-N 0 0 385.392 -1.028 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001578594173 1075432216 /nfs/dbraw/zinc/43/22/16/1075432216.db2.gz WUFVDWPMMLKCPA-SNVBAGLBSA-N 0 0 392.445 -1.041 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCN(C(=O)CCn3cnnn3)CC2)n1 ZINC001578594187 1075432030 /nfs/dbraw/zinc/43/20/30/1075432030.db2.gz XNMANBPNTUMWJF-UHFFFAOYSA-N 0 0 384.408 -1.056 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCN(C(=O)CS(C)(=O)=O)CC2)n1 ZINC001578594238 1075432130 /nfs/dbraw/zinc/43/21/30/1075432130.db2.gz ZHVCAKFMZNHESG-UHFFFAOYSA-N 0 0 380.434 -1.088 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCOC[C@H]2CNC(=O)CNC(C)=O)n1 ZINC001578594240 1075432139 /nfs/dbraw/zinc/43/21/39/1075432139.db2.gz ZMQSZQYUPXALAX-LLVKDONJSA-N 0 0 389.420 -1.323 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CCOC[C@@H]2CNC(=O)CNC(C)=O)n1 ZINC001578594241 1075432080 /nfs/dbraw/zinc/43/20/80/1075432080.db2.gz ZMQSZQYUPXALAX-NSHDSACASA-N 0 0 389.420 -1.323 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)n1 ZINC001578594340 1075432159 /nfs/dbraw/zinc/43/21/59/1075432159.db2.gz HLIWUXZLMQMIOY-SECBINFHSA-N 0 0 380.434 -1.041 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C)n1 ZINC001578594448 1075432548 /nfs/dbraw/zinc/43/25/48/1075432548.db2.gz TXLBPAYIOFWHDX-WCABBAIRSA-N 0 0 386.420 -1.016 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C)n1 ZINC001578594449 1075432571 /nfs/dbraw/zinc/43/25/71/1075432571.db2.gz TXLBPAYIOFWHDX-YWVKMMECSA-N 0 0 386.420 -1.016 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)CS(C)(=O)=O)C2)n1 ZINC001578595731 1075432625 /nfs/dbraw/zinc/43/26/25/1075432625.db2.gz HLIWUXZLMQMIOY-VIFPVBQESA-N 0 0 380.434 -1.041 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)Cn3ncnn3)[C@H]2C)n1 ZINC001578595736 1075432486 /nfs/dbraw/zinc/43/24/86/1075432486.db2.gz IADQVIJDESQDGB-ZJUUUORDSA-N 0 0 384.408 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001578596003 1075432642 /nfs/dbraw/zinc/43/26/42/1075432642.db2.gz WUFVDWPMMLKCPA-JTQLQIEISA-N 0 0 392.445 -1.041 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)n1 ZINC001578596703 1075432586 /nfs/dbraw/zinc/43/25/86/1075432586.db2.gz AGUIQNAVGJJDQL-VXGBXAGGSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C2)n1 ZINC001578596705 1075432716 /nfs/dbraw/zinc/43/27/16/1075432716.db2.gz AIBDXYOHHCHTPA-VXGBXAGGSA-N 0 0 389.420 -1.325 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](C)[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001578596738 1075432727 /nfs/dbraw/zinc/43/27/27/1075432727.db2.gz BJSJVLRZSIKGOL-PSASIEDQSA-N 0 0 384.408 -1.003 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001578596758 1075432444 /nfs/dbraw/zinc/43/24/44/1075432444.db2.gz BZLUAHJHJVQVEB-FBIMIBRVSA-N 0 0 387.404 -1.837 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001578596807 1075432682 /nfs/dbraw/zinc/43/26/82/1075432682.db2.gz FBKUXJJIODPHIW-YUDUNRHGSA-N 0 0 386.416 -1.223 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001578596831 1075432658 /nfs/dbraw/zinc/43/26/58/1075432658.db2.gz FUQTYGFGQWDGHV-VXGBXAGGSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C2)n1 ZINC001578596868 1075432704 /nfs/dbraw/zinc/43/27/04/1075432704.db2.gz FWUWWIBTGJEXQV-VXGBXAGGSA-N 0 0 389.420 -1.637 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC001578596869 1075432692 /nfs/dbraw/zinc/43/26/92/1075432692.db2.gz FZMAQHRVOLCESJ-GHMZBOCLSA-N 0 0 385.392 -1.824 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)n1 ZINC001578596910 1075432530 /nfs/dbraw/zinc/43/25/30/1075432530.db2.gz GRUMEBUNLABUDU-VXGBXAGGSA-N 0 0 384.404 -1.149 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C2)n1 ZINC001578596977 1075432672 /nfs/dbraw/zinc/43/26/72/1075432672.db2.gz HTURGAIYKOGAHO-IJLUTSLNSA-N 0 0 392.420 -1.454 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C2)n1 ZINC001578596978 1075432752 /nfs/dbraw/zinc/43/27/52/1075432752.db2.gz HTURGAIYKOGAHO-UTUOFQBUSA-N 0 0 392.420 -1.454 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001578597006 1075432741 /nfs/dbraw/zinc/43/27/41/1075432741.db2.gz IRKUTMSWVZVGCE-GHMZBOCLSA-N 0 0 388.388 -1.227 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)n1 ZINC001578597033 1075432510 /nfs/dbraw/zinc/43/25/10/1075432510.db2.gz KRSBHDSJCFUVDF-JTNHKYCSSA-N 0 0 376.421 -1.098 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1 ZINC001578597049 1075432602 /nfs/dbraw/zinc/43/26/02/1075432602.db2.gz LDSMUGKIXDIPDY-VXGBXAGGSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)n1 ZINC001578597054 1075433083 /nfs/dbraw/zinc/43/30/83/1075433083.db2.gz LHTNOTBXZJELEN-GHMZBOCLSA-N 0 0 384.404 -1.149 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC001578597082 1075433139 /nfs/dbraw/zinc/43/31/39/1075433139.db2.gz MDFDIKJPQLXJOI-IJLUTSLNSA-N 0 0 390.404 -1.700 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC001578597083 1075433242 /nfs/dbraw/zinc/43/32/42/1075433242.db2.gz MDFDIKJPQLXJOI-UTUOFQBUSA-N 0 0 390.404 -1.700 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)n1 ZINC001578597098 1075433194 /nfs/dbraw/zinc/43/31/94/1075433194.db2.gz MYAKQOZXRBLVKD-VXGBXAGGSA-N 0 0 384.404 -1.149 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001578597104 1075433031 /nfs/dbraw/zinc/43/30/31/1075433031.db2.gz NHRIZXREVOWRFD-MWLCHTKSSA-N 0 0 385.392 -1.673 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)n1 ZINC001578597147 1075433076 /nfs/dbraw/zinc/43/30/76/1075433076.db2.gz NYEIQDCGXGYYFA-VXGBXAGGSA-N 0 0 384.404 -1.219 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](C)[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001578597168 1075433151 /nfs/dbraw/zinc/43/31/51/1075433151.db2.gz OQRKZUQVXFMSLA-MWLCHTKSSA-N 0 0 384.408 -1.153 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3nnc[nH]3)[C@H](OC)C2)n1 ZINC001578597170 1075433182 /nfs/dbraw/zinc/43/31/82/1075433182.db2.gz OREQGIDEBDCMFR-NXEZZACHSA-N 0 0 385.392 -1.029 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cccnn3)[C@@H](O)C2)n1 ZINC001578597201 1075433102 /nfs/dbraw/zinc/43/31/02/1075433102.db2.gz AGUIQNAVGJJDQL-NEPJUHHUSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)n1 ZINC001578597234 1075433067 /nfs/dbraw/zinc/43/30/67/1075433067.db2.gz BIWRTTZFTYUIEL-ATZCPNFKSA-N 0 0 384.404 -1.310 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001578597236 1075433046 /nfs/dbraw/zinc/43/30/46/1075433046.db2.gz BIWRTTZFTYUIEL-QXEWZRGKSA-N 0 0 384.404 -1.310 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)[C@@H](O)C2)n1 ZINC001578597262 1075433039 /nfs/dbraw/zinc/43/30/39/1075433039.db2.gz BZLUAHJHJVQVEB-GDPRMGEGSA-N 0 0 387.404 -1.837 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)[C@@H](O)C2)n1 ZINC001578597263 1075433227 /nfs/dbraw/zinc/43/32/27/1075433227.db2.gz BZLUAHJHJVQVEB-IEBDPFPHSA-N 0 0 387.404 -1.837 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)n1 ZINC001578597319 1075433211 /nfs/dbraw/zinc/43/32/11/1075433211.db2.gz DQWNUTFPDXSVEO-CMPLNLGQSA-N 0 0 396.419 -1.057 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)n1 ZINC001578597322 1075433170 /nfs/dbraw/zinc/43/31/70/1075433170.db2.gz FBKUXJJIODPHIW-AOLZUGRHSA-N 0 0 386.416 -1.223 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cnn(C)c3)[C@@H](O)C2)n1 ZINC001578597338 1075433127 /nfs/dbraw/zinc/43/31/27/1075433127.db2.gz FUQTYGFGQWDGHV-NEPJUHHUSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C2)n1 ZINC001578597389 1075433706 /nfs/dbraw/zinc/43/37/06/1075433706.db2.gz QRASBRSPEFDKHE-GGZOMVNGSA-N 0 0 389.420 -1.591 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C2)n1 ZINC001578597390 1075433587 /nfs/dbraw/zinc/43/35/87/1075433587.db2.gz QRASBRSPEFDKHE-XXILOJSOSA-N 0 0 389.420 -1.591 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cn[nH]n3)[C@H](OC)C2)n1 ZINC001578597401 1075433534 /nfs/dbraw/zinc/43/35/34/1075433534.db2.gz QYAQAWMWBQGBOX-GHMZBOCLSA-N 0 0 385.392 -1.029 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C2)n1 ZINC001578597518 1075433093 /nfs/dbraw/zinc/43/30/93/1075433093.db2.gz FWUWWIBTGJEXQV-NEPJUHHUSA-N 0 0 389.420 -1.637 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)n1 ZINC001578597529 1075433601 /nfs/dbraw/zinc/43/36/01/1075433601.db2.gz FZMAQHRVOLCESJ-MNOVXSKESA-N 0 0 385.392 -1.824 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)n1 ZINC001578597564 1075433557 /nfs/dbraw/zinc/43/35/57/1075433557.db2.gz GRUMEBUNLABUDU-NEPJUHHUSA-N 0 0 384.404 -1.149 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)n1 ZINC001578597580 1075433575 /nfs/dbraw/zinc/43/35/75/1075433575.db2.gz HKTITLJYLDUPFH-MNOVXSKESA-N 0 0 385.392 -1.673 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)n1 ZINC001578597588 1075433516 /nfs/dbraw/zinc/43/35/16/1075433516.db2.gz HQNCVPAKUDISLD-ZJUUUORDSA-N 0 0 385.392 -1.673 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](O)C2)n1 ZINC001578597593 1075433717 /nfs/dbraw/zinc/43/37/17/1075433717.db2.gz HTURGAIYKOGAHO-GRYCIOLGSA-N 0 0 392.420 -1.454 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](O)C2)n1 ZINC001578597594 1075433678 /nfs/dbraw/zinc/43/36/78/1075433678.db2.gz HTURGAIYKOGAHO-WOPDTQHZSA-N 0 0 392.420 -1.454 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)n1 ZINC001578597617 1075433647 /nfs/dbraw/zinc/43/36/47/1075433647.db2.gz IQHKFHYFQVKBGX-NEPJUHHUSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)n1 ZINC001578597618 1075433688 /nfs/dbraw/zinc/43/36/88/1075433688.db2.gz IRKUTMSWVZVGCE-MNOVXSKESA-N 0 0 388.388 -1.227 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3ccncn3)[C@@H](O)C2)n1 ZINC001578597632 1075433698 /nfs/dbraw/zinc/43/36/98/1075433698.db2.gz JQABUNJMVXNNEY-NEPJUHHUSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)n1 ZINC001578597638 1075433635 /nfs/dbraw/zinc/43/36/35/1075433635.db2.gz KBTRXZFUXSCCTN-KOLCDFICSA-N 0 0 385.392 -1.673 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)n1 ZINC001578597646 1075433658 /nfs/dbraw/zinc/43/36/58/1075433658.db2.gz SFTWXIAHTBMVBW-UQONFHDTSA-N 0 0 386.416 -1.079 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)n3)C2)n1 ZINC001578597656 1075433669 /nfs/dbraw/zinc/43/36/69/1075433669.db2.gz SRNAPADRZKSQNH-VXGBXAGGSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)n1 ZINC001578597679 1075433618 /nfs/dbraw/zinc/43/36/18/1075433618.db2.gz UORONPYEKOZUSZ-GHMZBOCLSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)n1 ZINC001578597700 1075433524 /nfs/dbraw/zinc/43/35/24/1075433524.db2.gz VJICEEGLTUZZMV-VXGBXAGGSA-N 0 0 382.388 -1.011 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001578597760 1075433727 /nfs/dbraw/zinc/43/37/27/1075433727.db2.gz WTDOTBQXRQISMR-DVVUODLYSA-N 0 0 386.420 -1.159 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001578597761 1075433504 /nfs/dbraw/zinc/43/35/04/1075433504.db2.gz WTDOTBQXRQISMR-FBIMIBRVSA-N 0 0 386.420 -1.159 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](O)C2)n1 ZINC001578597973 1075434002 /nfs/dbraw/zinc/43/40/02/1075434002.db2.gz KRSBHDSJCFUVDF-UHIISALHSA-N 0 0 376.421 -1.098 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H](O)C2)n1 ZINC001578598037 1075434241 /nfs/dbraw/zinc/43/42/41/1075434241.db2.gz MDFDIKJPQLXJOI-GRYCIOLGSA-N 0 0 390.404 -1.700 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H]3COCCO3)[C@@H](O)C2)n1 ZINC001578598038 1075434022 /nfs/dbraw/zinc/43/40/22/1075434022.db2.gz MDFDIKJPQLXJOI-WOPDTQHZSA-N 0 0 390.404 -1.700 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(=O)NC)n1 ZINC001578598066 1075434215 /nfs/dbraw/zinc/43/42/15/1075434215.db2.gz MTQRDUJGOGTLDE-UWVGGRQHSA-N 0 0 386.420 -1.062 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)n1 ZINC001578598088 1075434182 /nfs/dbraw/zinc/43/41/82/1075434182.db2.gz MYAKQOZXRBLVKD-NEPJUHHUSA-N 0 0 384.404 -1.149 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)n1 ZINC001578598100 1075434197 /nfs/dbraw/zinc/43/41/97/1075434197.db2.gz NHRIZXREVOWRFD-KOLCDFICSA-N 0 0 385.392 -1.673 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)n1 ZINC001578598115 1075434079 /nfs/dbraw/zinc/43/40/79/1075434079.db2.gz NYEIQDCGXGYYFA-NEPJUHHUSA-N 0 0 384.404 -1.219 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C2)n1 ZINC001578598217 1075434066 /nfs/dbraw/zinc/43/40/66/1075434066.db2.gz NZCVKPITAKHOPX-MNOVXSKESA-N 0 0 375.393 -1.979 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)n1 ZINC001578598242 1075434011 /nfs/dbraw/zinc/43/40/11/1075434011.db2.gz PFITVNRIQKCTGJ-NEPJUHHUSA-N 0 0 384.404 -1.219 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)n1 ZINC001578598265 1075434108 /nfs/dbraw/zinc/43/41/08/1075434108.db2.gz QABUNOFAFSTAGN-UWVGGRQHSA-N 0 0 382.392 -1.305 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C2)n1 ZINC001578598281 1075433992 /nfs/dbraw/zinc/43/39/92/1075433992.db2.gz QRASBRSPEFDKHE-AXTRIDKLSA-N 0 0 389.420 -1.591 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C2)n1 ZINC001578598282 1075434059 /nfs/dbraw/zinc/43/40/59/1075434059.db2.gz QRASBRSPEFDKHE-FXAINCCUSA-N 0 0 389.420 -1.591 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)n1 ZINC001578598424 1075434048 /nfs/dbraw/zinc/43/40/48/1075434048.db2.gz SFTWXIAHTBMVBW-STCNSTQBSA-N 0 0 386.416 -1.079 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3ccn(C)n3)[C@@H](O)C2)n1 ZINC001578598463 1075434134 /nfs/dbraw/zinc/43/41/34/1075434134.db2.gz SRNAPADRZKSQNH-NEPJUHHUSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3ccnn3C)[C@@H](O)C2)n1 ZINC001578598573 1075434150 /nfs/dbraw/zinc/43/41/50/1075434150.db2.gz VXGIWBGJLJDKPB-PWSUYJOCSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)n1 ZINC001578598583 1075434207 /nfs/dbraw/zinc/43/42/07/1075434207.db2.gz WGKYKZOKZWFWFB-PWSUYJOCSA-N 0 0 384.404 -1.068 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001578598979 1075434711 /nfs/dbraw/zinc/43/47/11/1075434711.db2.gz CTSXNZFCSDTIBR-FDHIIDCNSA-N 0 0 383.416 -1.109 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnn(C)n2)n1 ZINC001578599260 1075434613 /nfs/dbraw/zinc/43/46/13/1075434613.db2.gz IXVFOYXXQCNTRS-JDICNCQASA-N 0 0 382.392 -1.393 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)n1 ZINC001578599390 1075434642 /nfs/dbraw/zinc/43/46/42/1075434642.db2.gz LILHQGOAWMQXAJ-QRJZZWFUSA-N 0 0 386.420 -1.172 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)n1 ZINC001578599472 1075434775 /nfs/dbraw/zinc/43/47/75/1075434775.db2.gz OBVBUCADXWYVQZ-QRJZZWFUSA-N 0 0 392.445 -1.186 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)NC)n1 ZINC001578599556 1075434632 /nfs/dbraw/zinc/43/46/32/1075434632.db2.gz PXLIUUKIMZZBLX-QRJZZWFUSA-N 0 0 386.420 -1.301 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)NC(N)=O)n1 ZINC001578599678 1075434756 /nfs/dbraw/zinc/43/47/56/1075434756.db2.gz RVDYZEGAQBXDQO-NMSKTSORSA-N 0 0 386.420 -1.173 20 0 GAADRN CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)n1 ZINC001578599773 1075434598 /nfs/dbraw/zinc/43/45/98/1075434598.db2.gz UOBAKIMHPJTHRB-QRJZZWFUSA-N 0 0 382.392 -1.543 20 0 GAADRN CCc1nc(N[C@@H](C)CNC(=O)CN2CCOCC2=O)cc(-c2nn[nH]n2)n1 ZINC001578626063 1075434652 /nfs/dbraw/zinc/43/46/52/1075434652.db2.gz DJJVLESHQCCIAJ-JTQLQIEISA-N 0 0 389.420 -1.006 20 0 GAADRN CCc1nc(N[C@H](C)CNC(=O)CN2CCOCC2=O)cc(-c2nn[nH]n2)n1 ZINC001578626064 1075434666 /nfs/dbraw/zinc/43/46/66/1075434666.db2.gz DJJVLESHQCCIAJ-SNVBAGLBSA-N 0 0 389.420 -1.006 20 0 GAADRN CCc1nc(N[C@H](C)CNC(=O)Cn2ncn(C)c2=O)cc(-c2nn[nH]n2)n1 ZINC001578628147 1075434726 /nfs/dbraw/zinc/43/47/26/1075434726.db2.gz LNCJYSWVTKWARS-SECBINFHSA-N 0 0 387.408 -1.269 20 0 GAADRN 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ZINC001578750837 1075439824 /nfs/dbraw/zinc/43/98/24/1075439824.db2.gz NBOZZWXANHBAIL-PWSUYJOCSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)nn1 ZINC001578750838 1075439957 /nfs/dbraw/zinc/43/99/57/1075439957.db2.gz NBOZZWXANHBAIL-ZYHUDNBSSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)nn1 ZINC001578750921 1075439863 /nfs/dbraw/zinc/43/98/63/1075439863.db2.gz SWVZTYLXOUKSJI-PWSUYJOCSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 ZINC001578751857 1075439949 /nfs/dbraw/zinc/43/99/49/1075439949.db2.gz GKLCLHOGKMWVKE-PWSUYJOCSA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001578751858 1075439883 /nfs/dbraw/zinc/43/98/83/1075439883.db2.gz GKLCLHOGKMWVKE-ZYHUDNBSSA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)nn1 ZINC001578751904 1075439760 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GAADRN CCn1cc(CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 ZINC001578756403 1075440505 /nfs/dbraw/zinc/44/05/05/1075440505.db2.gz INJFMYFJGGVQGG-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 ZINC001578757259 1075440445 /nfs/dbraw/zinc/44/04/45/1075440445.db2.gz PQZIEOBPLTULKG-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 ZINC001578757260 1075440486 /nfs/dbraw/zinc/44/04/86/1075440486.db2.gz PQZIEOBPLTULKG-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 ZINC001578757269 1075440412 /nfs/dbraw/zinc/44/04/12/1075440412.db2.gz PRRVDWHBRBUVPY-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 ZINC001578757271 1075440317 /nfs/dbraw/zinc/44/03/17/1075440317.db2.gz PRRVDWHBRBUVPY-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001578757745 1075440509 /nfs/dbraw/zinc/44/05/09/1075440509.db2.gz SFPVONDYJRIVGR-LLVKDONJSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1cc(CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001578757746 1075440497 /nfs/dbraw/zinc/44/04/97/1075440497.db2.gz SFPVONDYJRIVGR-NSHDSACASA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001578771754 1075440453 /nfs/dbraw/zinc/44/04/53/1075440453.db2.gz DGJRMZBGHGIEJL-NEPJUHHUSA-N 0 0 384.404 -1.219 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001578771757 1075440868 /nfs/dbraw/zinc/44/08/68/1075440868.db2.gz DGJRMZBGHGIEJL-VXGBXAGGSA-N 0 0 384.404 -1.219 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578771836 1075440684 /nfs/dbraw/zinc/44/06/84/1075440684.db2.gz GIGZIQGPTJYFHZ-CHWSQXEVSA-N 0 0 384.404 -1.219 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001578772142 1075440960 /nfs/dbraw/zinc/44/09/60/1075440960.db2.gz KJNGTHIBHZGQEQ-OLZOCXBDSA-N 0 0 384.404 -1.219 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001578772390 1075440736 /nfs/dbraw/zinc/44/07/36/1075440736.db2.gz PEQJQBSNKLLVQE-CHWSQXEVSA-N 0 0 384.404 -1.219 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)n1 ZINC001578772558 1075440901 /nfs/dbraw/zinc/44/09/01/1075440901.db2.gz XDJDGNCHVWEDJA-KGLIPLIRSA-N 0 0 399.415 -1.045 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578772618 1075440921 /nfs/dbraw/zinc/44/09/21/1075440921.db2.gz ACWYVMBFYFAZLY-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578772619 1075440982 /nfs/dbraw/zinc/44/09/82/1075440982.db2.gz ACWYVMBFYFAZLY-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578772745 1075440853 /nfs/dbraw/zinc/44/08/53/1075440853.db2.gz DLMIBXBRMJZHLJ-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578772746 1075440838 /nfs/dbraw/zinc/44/08/38/1075440838.db2.gz DLMIBXBRMJZHLJ-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578772926 1075440883 /nfs/dbraw/zinc/44/08/83/1075440883.db2.gz GRMHKDLATSFFMP-LLVKDONJSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578772927 1075440811 /nfs/dbraw/zinc/44/08/11/1075440811.db2.gz GRMHKDLATSFFMP-NSHDSACASA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773087 1075440794 /nfs/dbraw/zinc/44/07/94/1075440794.db2.gz LBXGUHUIWQIQHV-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773088 1075440942 /nfs/dbraw/zinc/44/09/42/1075440942.db2.gz LBXGUHUIWQIQHV-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578773316 1075440779 /nfs/dbraw/zinc/44/07/79/1075440779.db2.gz RZGUYDKCJMDVIJ-LLVKDONJSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578773317 1075440972 /nfs/dbraw/zinc/44/09/72/1075440972.db2.gz RZGUYDKCJMDVIJ-NSHDSACASA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773427 1075440700 /nfs/dbraw/zinc/44/07/00/1075440700.db2.gz VFDATOXOTDOIKD-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773428 1075440825 /nfs/dbraw/zinc/44/08/25/1075440825.db2.gz VFDATOXOTDOIKD-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773434 1075441317 /nfs/dbraw/zinc/44/13/17/1075441317.db2.gz VMGHDYWBXSEIFO-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578773435 1075441341 /nfs/dbraw/zinc/44/13/41/1075441341.db2.gz VMGHDYWBXSEIFO-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578773682 1075441369 /nfs/dbraw/zinc/44/13/69/1075441369.db2.gz YTQSOMWNSLIJFN-GFCCVEGCSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1ccc(CC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578773683 1075441286 /nfs/dbraw/zinc/44/12/86/1075441286.db2.gz YTQSOMWNSLIJFN-LBPRGKRZSA-N 0 0 387.404 -1.139 20 0 GAADRN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001578805048 1075441229 /nfs/dbraw/zinc/44/12/29/1075441229.db2.gz FTNJPJRPXVZVEN-MNOVXSKESA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578805305 1075441324 /nfs/dbraw/zinc/44/13/24/1075441324.db2.gz IHNNLRXFNZBGIV-GHMZBOCLSA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578805306 1075441349 /nfs/dbraw/zinc/44/13/49/1075441349.db2.gz IHNNLRXFNZBGIV-MNOVXSKESA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001578805827 1075441279 /nfs/dbraw/zinc/44/12/79/1075441279.db2.gz NQELIPPMTNXCOO-MNOVXSKESA-N 0 0 385.392 -1.444 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)c2cncc(-c3nn[nH]n3)n2)n1 ZINC001578811698 1075441879 /nfs/dbraw/zinc/44/18/79/1075441879.db2.gz CSTCMWKTIPNQHF-JTQLQIEISA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)c2cncc(-c3nn[nH]n3)n2)n1 ZINC001578811699 1075441821 /nfs/dbraw/zinc/44/18/21/1075441821.db2.gz CSTCMWKTIPNQHF-SNVBAGLBSA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578811760 1075441918 /nfs/dbraw/zinc/44/19/18/1075441918.db2.gz FTDHESIARKOJPD-JTQLQIEISA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578811761 1075441806 /nfs/dbraw/zinc/44/18/06/1075441806.db2.gz FTDHESIARKOJPD-SNVBAGLBSA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001578811784 1075441842 /nfs/dbraw/zinc/44/18/42/1075441842.db2.gz GOOBMBAEZBUOBL-JTQLQIEISA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001578811785 1075441745 /nfs/dbraw/zinc/44/17/45/1075441745.db2.gz GOOBMBAEZBUOBL-SNVBAGLBSA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578811943 1075441862 /nfs/dbraw/zinc/44/18/62/1075441862.db2.gz HQRYHLBLRGIURM-SECBINFHSA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578811945 1075441953 /nfs/dbraw/zinc/44/19/53/1075441953.db2.gz HQRYHLBLRGIURM-VIFPVBQESA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001578812021 1075441910 /nfs/dbraw/zinc/44/19/10/1075441910.db2.gz JCQLIHBFQPPXNJ-UHFFFAOYSA-N 0 0 386.376 -1.577 20 0 GAADRN CCn1ncc(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578812296 1075441944 /nfs/dbraw/zinc/44/19/44/1075441944.db2.gz MNHBFZCLGBKJQF-UHFFFAOYSA-N 0 0 388.392 -1.329 20 0 GAADRN CCn1ncc(C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578812442 1075441833 /nfs/dbraw/zinc/44/18/33/1075441833.db2.gz NUMLOAFSFZPPHR-UHFFFAOYSA-N 0 0 388.392 -1.329 20 0 GAADRN CCn1ncc(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001578812463 1075441767 /nfs/dbraw/zinc/44/17/67/1075441767.db2.gz OEUOGESDGAKSIQ-UHFFFAOYSA-N 0 0 386.376 -1.577 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nn[nH]n3)cn2)n1 ZINC001578812570 1075441790 /nfs/dbraw/zinc/44/17/90/1075441790.db2.gz PYVAHSDBXFBYAB-JTQLQIEISA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)c2cnc(-c3nn[nH]n3)cn2)n1 ZINC001578812572 1075441936 /nfs/dbraw/zinc/44/19/36/1075441936.db2.gz PYVAHSDBXFBYAB-SNVBAGLBSA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578812656 1075441900 /nfs/dbraw/zinc/44/19/00/1075441900.db2.gz QXQCQRXCNQQGRW-UHFFFAOYSA-N 0 0 388.392 -1.329 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)c2nccnc2-c2nn[nH]n2)n1 ZINC001578812759 1075441850 /nfs/dbraw/zinc/44/18/50/1075441850.db2.gz UPNNYEODVOMQGW-JTQLQIEISA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)c2nccnc2-c2nn[nH]n2)n1 ZINC001578812760 1075441925 /nfs/dbraw/zinc/44/19/25/1075441925.db2.gz UPNNYEODVOMQGW-SNVBAGLBSA-N 0 0 387.408 -1.163 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001578814278 1075441887 /nfs/dbraw/zinc/44/18/87/1075441887.db2.gz CYTJLMRNEUZJMU-VXGBXAGGSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001578814434 1075442433 /nfs/dbraw/zinc/44/24/33/1075442433.db2.gz KTESNDXDTFSUJY-VXGBXAGGSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001578814809 1075442266 /nfs/dbraw/zinc/44/22/66/1075442266.db2.gz USPQHRNKXMJBRH-VXGBXAGGSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)n1 ZINC001578815459 1075442248 /nfs/dbraw/zinc/44/22/48/1075442248.db2.gz CYTJLMRNEUZJMU-NEPJUHHUSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001578815468 1075442226 /nfs/dbraw/zinc/44/22/26/1075442226.db2.gz DBRFLBBSWLWJSX-BXKDBHETSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001578815469 1075442416 /nfs/dbraw/zinc/44/24/16/1075442416.db2.gz DBRFLBBSWLWJSX-CABZTGNLSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001578815470 1075442343 /nfs/dbraw/zinc/44/23/43/1075442343.db2.gz DBRFLBBSWLWJSX-JOYOIKCWSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001578815471 1075442405 /nfs/dbraw/zinc/44/24/05/1075442405.db2.gz DBRFLBBSWLWJSX-SKDRFNHKSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001578816084 1075442315 /nfs/dbraw/zinc/44/23/15/1075442315.db2.gz KTESNDXDTFSUJY-NEPJUHHUSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578816254 1075442301 /nfs/dbraw/zinc/44/23/01/1075442301.db2.gz MFDPQENRXWHOAY-BXKDBHETSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578816255 1075442426 /nfs/dbraw/zinc/44/24/26/1075442426.db2.gz MFDPQENRXWHOAY-CABZTGNLSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578816256 1075442199 /nfs/dbraw/zinc/44/21/99/1075442199.db2.gz MFDPQENRXWHOAY-JOYOIKCWSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578816257 1075442393 /nfs/dbraw/zinc/44/23/93/1075442393.db2.gz MFDPQENRXWHOAY-SKDRFNHKSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001578816388 1075442213 /nfs/dbraw/zinc/44/22/13/1075442213.db2.gz NZJIBCWMSODSCY-BXKDBHETSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001578816389 1075442284 /nfs/dbraw/zinc/44/22/84/1075442284.db2.gz NZJIBCWMSODSCY-CABZTGNLSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001578816390 1075442752 /nfs/dbraw/zinc/44/27/52/1075442752.db2.gz NZJIBCWMSODSCY-JOYOIKCWSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001578816391 1075442777 /nfs/dbraw/zinc/44/27/77/1075442777.db2.gz NZJIBCWMSODSCY-SKDRFNHKSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001578816580 1075442813 /nfs/dbraw/zinc/44/28/13/1075442813.db2.gz RYGJFKDDUCBJOD-GXSJLCMTSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001578816581 1075442832 /nfs/dbraw/zinc/44/28/32/1075442832.db2.gz RYGJFKDDUCBJOD-KOLCDFICSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001578816582 1075442825 /nfs/dbraw/zinc/44/28/25/1075442825.db2.gz RYGJFKDDUCBJOD-MWLCHTKSSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001578816583 1075442849 /nfs/dbraw/zinc/44/28/49/1075442849.db2.gz RYGJFKDDUCBJOD-ONGXEEELSA-N 0 0 385.392 -1.362 20 0 GAADRN CCn1ncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001578816677 1075442837 /nfs/dbraw/zinc/44/28/37/1075442837.db2.gz USPQHRNKXMJBRH-NEPJUHHUSA-N 0 0 386.376 -1.579 20 0 GAADRN CCn1ncc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001578817021 1075442855 /nfs/dbraw/zinc/44/28/55/1075442855.db2.gz BTQKDNMIEAYNAF-HNNXBMFYSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001578817022 1075442765 /nfs/dbraw/zinc/44/27/65/1075442765.db2.gz BTQKDNMIEAYNAF-OAHLLOKOSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578817457 1075442786 /nfs/dbraw/zinc/44/27/86/1075442786.db2.gz JFROEDVFSYMYIG-JTQLQIEISA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578817458 1075442797 /nfs/dbraw/zinc/44/27/97/1075442797.db2.gz JFROEDVFSYMYIG-SNVBAGLBSA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)n1 ZINC001578817743 1075442843 /nfs/dbraw/zinc/44/28/43/1075442843.db2.gz LYSNWXZAZJJTHT-HNNXBMFYSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)n1 ZINC001578817744 1075442819 /nfs/dbraw/zinc/44/28/19/1075442819.db2.gz LYSNWXZAZJJTHT-OAHLLOKOSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578817957 1075442866 /nfs/dbraw/zinc/44/28/66/1075442866.db2.gz MJFWPCFCFFJNBL-JTQLQIEISA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001578817958 1075442723 /nfs/dbraw/zinc/44/27/23/1075442723.db2.gz MJFWPCFCFFJNBL-SNVBAGLBSA-N 0 0 388.392 -1.331 20 0 GAADRN CCn1ncc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)n1 ZINC001578818019 1075442739 /nfs/dbraw/zinc/44/27/39/1075442739.db2.gz OANVMNGPUVLIFQ-HNNXBMFYSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)n1 ZINC001578818020 1075442701 /nfs/dbraw/zinc/44/27/01/1075442701.db2.gz OANVMNGPUVLIFQ-OAHLLOKOSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)n1 ZINC001578818184 1075442806 /nfs/dbraw/zinc/44/28/06/1075442806.db2.gz PKUOYFMWHYOCAG-HNNXBMFYSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)n1 ZINC001578818186 1075443211 /nfs/dbraw/zinc/44/32/11/1075443211.db2.gz PKUOYFMWHYOCAG-OAHLLOKOSA-N 0 0 385.392 -1.361 20 0 GAADRN CCn1ncc(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001578818187 1075443276 /nfs/dbraw/zinc/44/32/76/1075443276.db2.gz PLBOIZCDNKCISG-UHFFFAOYSA-N 0 0 386.376 -1.577 20 0 GAADRN CCn1ncc(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001578818410 1075443253 /nfs/dbraw/zinc/44/32/53/1075443253.db2.gz UBRRSRAFSOOIPT-UHFFFAOYSA-N 0 0 386.376 -1.577 20 0 GAADRN CCn1ncc(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001578818609 1075443194 /nfs/dbraw/zinc/44/31/94/1075443194.db2.gz ZDSSDTKGQZRJQL-UHFFFAOYSA-N 0 0 386.376 -1.577 20 0 GAADRN CCn1ncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001578818736 1075443221 /nfs/dbraw/zinc/44/32/21/1075443221.db2.gz 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CCn1ncc(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001578819135 1075443150 /nfs/dbraw/zinc/44/31/50/1075443150.db2.gz OQBMEJBTGIKWKU-UHFFFAOYSA-N 0 0 388.392 -1.329 20 0 GAADRN CCn1ncc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001578819227 1075443203 /nfs/dbraw/zinc/44/32/03/1075443203.db2.gz QUMOFJGPGZBLAH-JTQLQIEISA-N 0 0 385.392 -1.097 20 0 GAADRN CCn1ncc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001578819231 1075443288 /nfs/dbraw/zinc/44/32/88/1075443288.db2.gz QUMOFJGPGZBLAH-SNVBAGLBSA-N 0 0 385.392 -1.097 20 0 GAADRN CCn1ncc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001578819444 1075443309 /nfs/dbraw/zinc/44/33/09/1075443309.db2.gz UCBBKVPOEBOIPU-JTQLQIEISA-N 0 0 385.392 -1.097 20 0 GAADRN CCn1ncc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001578819445 1075443320 /nfs/dbraw/zinc/44/33/20/1075443320.db2.gz UCBBKVPOEBOIPU-SNVBAGLBSA-N 0 0 385.392 -1.097 20 0 GAADRN CCn1ncc(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578819450 1075443179 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C[NH+](C)CCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578976560 1075460093 /nfs/dbraw/zinc/46/00/93/1075460093.db2.gz DDCIWEDKQCDCDP-INIZCTEOSA-N 0 0 375.437 -1.204 20 0 GAADRN C[NH+](C)CCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001578976562 1075460058 /nfs/dbraw/zinc/46/00/58/1075460058.db2.gz DDCIWEDKQCDCDP-MRXNPFEDSA-N 0 0 375.437 -1.204 20 0 GAADRN C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001578990952 1075461149 /nfs/dbraw/zinc/46/11/49/1075461149.db2.gz NGSGXRXYMZSBCX-LLVKDONJSA-N 0 0 392.420 -1.302 20 0 GAADRN C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001578990953 1075461172 /nfs/dbraw/zinc/46/11/72/1075461172.db2.gz NGSGXRXYMZSBCX-NSHDSACASA-N 0 0 392.420 -1.302 20 0 GAADRN C[NH+](C)CCN1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001578991933 1075461136 /nfs/dbraw/zinc/46/11/36/1075461136.db2.gz IAWCKCFWKSYNMP-UHFFFAOYSA-N 0 0 377.409 -2.165 20 0 GAADRN 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CNC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579388765 1075583785 /nfs/dbraw/zinc/58/37/85/1075583785.db2.gz JCBVMEKIYBTONH-LLVKDONJSA-N 0 0 391.436 -1.172 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579388766 1075583799 /nfs/dbraw/zinc/58/37/99/1075583799.db2.gz JCBVMEKIYBTONH-NSHDSACASA-N 0 0 391.436 -1.172 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001579388796 1075583748 /nfs/dbraw/zinc/58/37/48/1075583748.db2.gz KBAJMRXKXKJMRE-JTQLQIEISA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001579388797 1075583837 /nfs/dbraw/zinc/58/38/37/1075583837.db2.gz KBAJMRXKXKJMRE-SNVBAGLBSA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579388944 1075583714 /nfs/dbraw/zinc/58/37/14/1075583714.db2.gz NLHFGHOSEDUBMW-LLVKDONJSA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579388945 1075583820 /nfs/dbraw/zinc/58/38/20/1075583820.db2.gz NLHFGHOSEDUBMW-NSHDSACASA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579388948 1075583621 /nfs/dbraw/zinc/58/36/21/1075583621.db2.gz NPMDKEKBKVXBLK-JTQLQIEISA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579388949 1075584297 /nfs/dbraw/zinc/58/42/97/1075584297.db2.gz NPMDKEKBKVXBLK-SNVBAGLBSA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579389021 1075584210 /nfs/dbraw/zinc/58/42/10/1075584210.db2.gz PXYCHSARBLEBQI-LLVKDONJSA-N 0 0 391.436 -1.172 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579389022 1075584294 /nfs/dbraw/zinc/58/42/94/1075584294.db2.gz PXYCHSARBLEBQI-NSHDSACASA-N 0 0 391.436 -1.172 20 0 GAADRN CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579389134 1075584256 /nfs/dbraw/zinc/58/42/56/1075584256.db2.gz SRRNPGDOORKWTP-UHFFFAOYSA-N 0 0 390.404 -1.586 20 0 GAADRN CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579389154 1075584303 /nfs/dbraw/zinc/58/43/03/1075584303.db2.gz UEPKWQRPCHYFHU-UHFFFAOYSA-N 0 0 390.404 -1.586 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001579389306 1075584114 /nfs/dbraw/zinc/58/41/14/1075584114.db2.gz YNQSUVCFSPXVMU-JTQLQIEISA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001579389307 1075584226 /nfs/dbraw/zinc/58/42/26/1075584226.db2.gz YNQSUVCFSPXVMU-SNVBAGLBSA-N 0 0 377.409 -1.196 20 0 GAADRN CNC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001579389964 1075584071 /nfs/dbraw/zinc/58/40/71/1075584071.db2.gz RJQNEOKTFRHRKA-NEPJUHHUSA-N 0 0 390.404 -1.587 20 0 GAADRN CNC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579389965 1075584275 /nfs/dbraw/zinc/58/42/75/1075584275.db2.gz RJQNEOKTFRHRKA-VXGBXAGGSA-N 0 0 390.404 -1.587 20 0 GAADRN CNC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579390175 1075584095 /nfs/dbraw/zinc/58/40/95/1075584095.db2.gz YKYMFDPLTCOKGD-VXGBXAGGSA-N 0 0 390.404 -1.587 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001579391333 1075584161 /nfs/dbraw/zinc/58/41/61/1075584161.db2.gz HOCVBGMMJNOMTL-CMPLNLGQSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001579391334 1075584300 /nfs/dbraw/zinc/58/43/00/1075584300.db2.gz HOCVBGMMJNOMTL-JQWIXIFHSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001579391335 1075584309 /nfs/dbraw/zinc/58/43/09/1075584309.db2.gz HOCVBGMMJNOMTL-PWSUYJOCSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001579391336 1075584282 /nfs/dbraw/zinc/58/42/82/1075584282.db2.gz HOCVBGMMJNOMTL-ZYHUDNBSSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001579391494 1075584616 /nfs/dbraw/zinc/58/46/16/1075584616.db2.gz IZBUECYSBBODPK-GHMZBOCLSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001579391495 1075584673 /nfs/dbraw/zinc/58/46/73/1075584673.db2.gz IZBUECYSBBODPK-MNOVXSKESA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001579391496 1075584558 /nfs/dbraw/zinc/58/45/58/1075584558.db2.gz IZBUECYSBBODPK-QWRGUYRKSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001579391497 1075584601 /nfs/dbraw/zinc/58/46/01/1075584601.db2.gz IZBUECYSBBODPK-WDEREUQCSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579392304 1075584692 /nfs/dbraw/zinc/58/46/92/1075584692.db2.gz REKSDWWQQCRFIC-JTQLQIEISA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579392305 1075584433 /nfs/dbraw/zinc/58/44/33/1075584433.db2.gz REKSDWWQQCRFIC-SNVBAGLBSA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579392485 1075584592 /nfs/dbraw/zinc/58/45/92/1075584592.db2.gz TYBYGUASCMVFRG-LLVKDONJSA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579392487 1075584515 /nfs/dbraw/zinc/58/45/15/1075584515.db2.gz TYBYGUASCMVFRG-NSHDSACASA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001579392841 1075584653 /nfs/dbraw/zinc/58/46/53/1075584653.db2.gz WPZISHCLHRIAHX-CMPLNLGQSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001579392843 1075584642 /nfs/dbraw/zinc/58/46/42/1075584642.db2.gz WPZISHCLHRIAHX-JQWIXIFHSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001579392845 1075584627 /nfs/dbraw/zinc/58/46/27/1075584627.db2.gz WPZISHCLHRIAHX-PWSUYJOCSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001579392846 1075584665 /nfs/dbraw/zinc/58/46/65/1075584665.db2.gz WPZISHCLHRIAHX-ZYHUDNBSSA-N 0 0 389.420 -1.371 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579392853 1075584478 /nfs/dbraw/zinc/58/44/78/1075584478.db2.gz WWJKSEGOVYKLHS-LLVKDONJSA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579392854 1075584681 /nfs/dbraw/zinc/58/46/81/1075584681.db2.gz WWJKSEGOVYKLHS-NSHDSACASA-N 0 0 392.420 -1.340 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 ZINC001579393583 1075584573 /nfs/dbraw/zinc/58/45/73/1075584573.db2.gz AXMXCNHKZOIHLW-LLVKDONJSA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 ZINC001579393584 1075584975 /nfs/dbraw/zinc/58/49/75/1075584975.db2.gz AXMXCNHKZOIHLW-NSHDSACASA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001579393591 1075584903 /nfs/dbraw/zinc/58/49/03/1075584903.db2.gz BDMBMQDWVXTBCC-INIZCTEOSA-N 0 0 389.420 -1.370 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001579393592 1075585018 /nfs/dbraw/zinc/58/50/18/1075585018.db2.gz BDMBMQDWVXTBCC-MRXNPFEDSA-N 0 0 389.420 -1.370 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001579393611 1075584958 /nfs/dbraw/zinc/58/49/58/1075584958.db2.gz BYLLXYSFWQMNDH-NXEZZACHSA-N 0 0 375.393 -1.761 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 ZINC001579393641 1075584982 /nfs/dbraw/zinc/58/49/82/1075584982.db2.gz DKOKYXLISVCCTG-LLVKDONJSA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 ZINC001579393642 1075584890 /nfs/dbraw/zinc/58/48/90/1075584890.db2.gz DKOKYXLISVCCTG-NSHDSACASA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001579393648 1075584917 /nfs/dbraw/zinc/58/49/17/1075584917.db2.gz DTTXMKHFVWHGDU-NEPJUHHUSA-N 0 0 389.420 -1.453 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001579393649 1075584925 /nfs/dbraw/zinc/58/49/25/1075584925.db2.gz DTTXMKHFVWHGDU-VXGBXAGGSA-N 0 0 389.420 -1.453 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1OC ZINC001579393780 1075584966 /nfs/dbraw/zinc/58/49/66/1075584966.db2.gz GDPZVFUFAYTTHW-VXGBXAGGSA-N 0 0 389.420 -1.107 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 ZINC001579393788 1075584990 /nfs/dbraw/zinc/58/49/90/1075584990.db2.gz GKFSKEXUCHIOHL-LLVKDONJSA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 ZINC001579393789 1075585043 /nfs/dbraw/zinc/58/50/43/1075585043.db2.gz GKFSKEXUCHIOHL-NSHDSACASA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CN(CC(=O)NC)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001579393832 1075584942 /nfs/dbraw/zinc/58/49/42/1075584942.db2.gz DQGDGXBABCFGCC-UHFFFAOYSA-N 0 0 388.388 -2.083 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1OC ZINC001579393879 1075584881 /nfs/dbraw/zinc/58/48/81/1075584881.db2.gz JPZRERHESFQUDQ-VXGBXAGGSA-N 0 0 389.420 -1.107 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579394008 1075585032 /nfs/dbraw/zinc/58/50/32/1075585032.db2.gz KGEBFVXYXLAEBK-INIZCTEOSA-N 0 0 389.420 -1.370 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579394010 1075584871 /nfs/dbraw/zinc/58/48/71/1075584871.db2.gz KGEBFVXYXLAEBK-MRXNPFEDSA-N 0 0 389.420 -1.370 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001579394020 1075585007 /nfs/dbraw/zinc/58/50/07/1075585007.db2.gz KRJKWFIPAHMVKK-NEPJUHHUSA-N 0 0 390.404 -1.587 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001579394021 1075584933 /nfs/dbraw/zinc/58/49/33/1075584933.db2.gz KRJKWFIPAHMVKK-VXGBXAGGSA-N 0 0 390.404 -1.587 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001579394049 1075585392 /nfs/dbraw/zinc/58/53/92/1075585392.db2.gz LOIIPOCUIHDOFI-GHMZBOCLSA-N 0 0 375.393 -1.761 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001579394051 1075585421 /nfs/dbraw/zinc/58/54/21/1075585421.db2.gz LOIIPOCUIHDOFI-MNOVXSKESA-N 0 0 375.393 -1.761 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 ZINC001579394055 1075585435 /nfs/dbraw/zinc/58/54/35/1075585435.db2.gz LRCKWTKZRRISEM-LLVKDONJSA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 ZINC001579394056 1075585400 /nfs/dbraw/zinc/58/54/00/1075585400.db2.gz LRCKWTKZRRISEM-NSHDSACASA-N 0 0 389.420 -1.106 20 0 GAADRN CNC(=O)CCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001579394067 1075585469 /nfs/dbraw/zinc/58/54/69/1075585469.db2.gz LWMZXLGABIQABQ-NEPJUHHUSA-N 0 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384.422 -1.956 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2cncc(-c3nn[nH]n3)n2)[C@H]1C ZINC001579424620 1075611952 /nfs/dbraw/zinc/61/19/52/1075611952.db2.gz KUUGKEASCSBAPE-BDAKNGLRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001579424621 1075611966 /nfs/dbraw/zinc/61/19/66/1075611966.db2.gz KUUGKEASCSBAPE-DTWKUNHWSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2cncc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001579424622 1075611998 /nfs/dbraw/zinc/61/19/98/1075611998.db2.gz KUUGKEASCSBAPE-IUCAKERBSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)[C@H]1C ZINC001579424623 1075611994 /nfs/dbraw/zinc/61/19/94/1075611994.db2.gz KUUGKEASCSBAPE-RKDXNWHRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001579424637 1075612023 /nfs/dbraw/zinc/61/20/23/1075612023.db2.gz LIKKOLJXTFDWHM-BDAKNGLRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001579424638 1075611982 /nfs/dbraw/zinc/61/19/82/1075611982.db2.gz LIKKOLJXTFDWHM-DTWKUNHWSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001579424639 1075611987 /nfs/dbraw/zinc/61/19/87/1075611987.db2.gz LIKKOLJXTFDWHM-IUCAKERBSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001579424640 1075612015 /nfs/dbraw/zinc/61/20/15/1075612015.db2.gz LIKKOLJXTFDWHM-RKDXNWHRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579424648 1075612028 /nfs/dbraw/zinc/61/20/28/1075612028.db2.gz MBNWQYRECUQQCA-JTQLQIEISA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579424649 1075612004 /nfs/dbraw/zinc/61/20/04/1075612004.db2.gz MBNWQYRECUQQCA-SNVBAGLBSA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001579424650 1075611973 /nfs/dbraw/zinc/61/19/73/1075611973.db2.gz MDCCROYAWNIKLF-UHFFFAOYSA-N 0 0 384.422 -1.956 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001579424651 1075611991 /nfs/dbraw/zinc/61/19/91/1075611991.db2.gz MECNVMSAGPEEAG-JTQLQIEISA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001579424652 1075612019 /nfs/dbraw/zinc/61/20/19/1075612019.db2.gz MECNVMSAGPEEAG-SNVBAGLBSA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579424654 1075612366 /nfs/dbraw/zinc/61/23/66/1075612366.db2.gz MIKHCPXTSVMPOG-UHFFFAOYSA-N 0 0 382.406 -1.972 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579424656 1075612308 /nfs/dbraw/zinc/61/23/08/1075612308.db2.gz MMXIIGYIOAQZNV-SECBINFHSA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579424657 1075612423 /nfs/dbraw/zinc/61/24/23/1075612423.db2.gz MMXIIGYIOAQZNV-VIFPVBQESA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCC(Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579424660 1075612464 /nfs/dbraw/zinc/61/24/64/1075612464.db2.gz MSFSBGUMRMVJMD-UHFFFAOYSA-N 0 0 381.422 -1.391 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCN(c2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC001579424667 1075612382 /nfs/dbraw/zinc/61/23/82/1075612382.db2.gz MVVZQWFHTSRDCN-UHFFFAOYSA-N 0 0 380.434 -1.232 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579424669 1075612354 /nfs/dbraw/zinc/61/23/54/1075612354.db2.gz MYSAGCDSDDOSHW-SECBINFHSA-N 0 0 381.422 -1.391 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579424670 1075612435 /nfs/dbraw/zinc/61/24/35/1075612435.db2.gz MYSAGCDSDDOSHW-VIFPVBQESA-N 0 0 381.422 -1.391 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)C1CC(Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579424671 1075612392 /nfs/dbraw/zinc/61/23/92/1075612392.db2.gz NAVWVAUSWYERMS-UHFFFAOYSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579424676 1075612447 /nfs/dbraw/zinc/61/24/47/1075612447.db2.gz NFOSPUALCGPTSE-SECBINFHSA-N 0 0 381.422 -1.757 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579424677 1075612321 /nfs/dbraw/zinc/61/23/21/1075612321.db2.gz NFOSPUALCGPTSE-VIFPVBQESA-N 0 0 381.422 -1.757 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[nH]n1 ZINC001579424678 1075612275 /nfs/dbraw/zinc/61/22/75/1075612275.db2.gz NFRCPNBKXHMYBE-UHFFFAOYSA-N 0 0 383.438 -1.509 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[nH]n2)C1 ZINC001579424686 1075612456 /nfs/dbraw/zinc/61/24/56/1075612456.db2.gz NLTHJBGGASCSNG-JTQLQIEISA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[nH]n2)C1 ZINC001579424687 1075612373 /nfs/dbraw/zinc/61/23/73/1075612373.db2.gz NLTHJBGGASCSNG-SNVBAGLBSA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)nc1 ZINC001579424699 1075612688 /nfs/dbraw/zinc/61/26/88/1075612688.db2.gz NXOYEKUFHDGEFL-TXEJJXNPSA-N 0 0 392.445 -1.010 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579424717 1075612605 /nfs/dbraw/zinc/61/26/05/1075612605.db2.gz OJXJWONSLINIST-UHFFFAOYSA-N 0 0 382.406 -2.068 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[nH]n2)C1 ZINC001579424718 1075612649 /nfs/dbraw/zinc/61/26/49/1075612649.db2.gz OKXLMFZORWRBCE-SECBINFHSA-N 0 0 381.422 -1.534 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 ZINC001579424719 1075612720 /nfs/dbraw/zinc/61/27/20/1075612720.db2.gz OKXLMFZORWRBCE-VIFPVBQESA-N 0 0 381.422 -1.534 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579424725 1075612698 /nfs/dbraw/zinc/61/26/98/1075612698.db2.gz OSRZGRXBSFNDCQ-SECBINFHSA-N 0 0 381.422 -1.391 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001579424726 1075612617 /nfs/dbraw/zinc/61/26/17/1075612617.db2.gz OSRZGRXBSFNDCQ-VIFPVBQESA-N 0 0 381.422 -1.391 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579424730 1075612748 /nfs/dbraw/zinc/61/27/48/1075612748.db2.gz OUECYJXUNXQGGV-SECBINFHSA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579424731 1075612780 /nfs/dbraw/zinc/61/27/80/1075612780.db2.gz OUECYJXUNXQGGV-VIFPVBQESA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579424732 1075612733 /nfs/dbraw/zinc/61/27/33/1075612733.db2.gz OUOPGVOVQFBIDT-UHFFFAOYSA-N 0 0 380.434 -1.150 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)[C@H]1C ZINC001579424739 1075612658 /nfs/dbraw/zinc/61/26/58/1075612658.db2.gz OYKOYSZBINNQAM-BDAKNGLRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)[C@@H]1C ZINC001579424740 1075612668 /nfs/dbraw/zinc/61/26/68/1075612668.db2.gz OYKOYSZBINNQAM-DTWKUNHWSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)[C@@H]1C ZINC001579424741 1075612636 /nfs/dbraw/zinc/61/26/36/1075612636.db2.gz OYKOYSZBINNQAM-IUCAKERBSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)[C@H]1C ZINC001579424742 1075612760 /nfs/dbraw/zinc/61/27/60/1075612760.db2.gz OYKOYSZBINNQAM-RKDXNWHRSA-N 0 0 381.422 -1.393 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579424752 1075612678 /nfs/dbraw/zinc/61/26/78/1075612678.db2.gz POPRYAJANZPCMW-UHFFFAOYSA-N 0 0 384.422 -1.726 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579424755 1075612629 /nfs/dbraw/zinc/61/26/29/1075612629.db2.gz PQZUIFSMIPNSGK-MRVPVSSYSA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579424756 1075613054 /nfs/dbraw/zinc/61/30/54/1075613054.db2.gz PQZUIFSMIPNSGK-QMMMGPOBSA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579424759 1075613112 /nfs/dbraw/zinc/61/31/12/1075613112.db2.gz PREXCCUMBOGABH-JTQLQIEISA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579424760 1075613075 /nfs/dbraw/zinc/61/30/75/1075613075.db2.gz PREXCCUMBOGABH-SNVBAGLBSA-N 0 0 380.434 -1.152 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579424764 1075613049 /nfs/dbraw/zinc/61/30/49/1075613049.db2.gz PTERASWNQMYPHL-SECBINFHSA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579424765 1075613065 /nfs/dbraw/zinc/61/30/65/1075613065.db2.gz PTERASWNQMYPHL-VIFPVBQESA-N 0 0 382.406 -1.925 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579424766 1075613037 /nfs/dbraw/zinc/61/30/37/1075613037.db2.gz PTWVFFCBIJYUPI-MRVPVSSYSA-N 0 0 384.422 -1.679 20 0 GAADRN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579424767 1075613014 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CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579427763 1075622921 /nfs/dbraw/zinc/62/29/21/1075622921.db2.gz PEOOVULFIYASHP-IUCAKERBSA-N 0 0 383.438 -1.099 20 0 GAADRN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001579427764 1075622937 /nfs/dbraw/zinc/62/29/37/1075622937.db2.gz PEOOVULFIYASHP-RKDXNWHRSA-N 0 0 383.438 -1.099 20 0 GAADRN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579427770 1075622915 /nfs/dbraw/zinc/62/29/15/1075622915.db2.gz PJDYDENTMPHYHF-SECBINFHSA-N 0 0 381.422 -1.709 20 0 GAADRN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579427771 1075622965 /nfs/dbraw/zinc/62/29/65/1075622965.db2.gz PJDYDENTMPHYHF-VIFPVBQESA-N 0 0 381.422 -1.709 20 0 GAADRN CNS(=O)(=O)CCC(=O)N(C)CCN(C)c1nccnc1-c1nn[nH]n1 ZINC001579427772 1075622894 /nfs/dbraw/zinc/62/28/94/1075622894.db2.gz PKJXCAGKPLKABJ-UHFFFAOYSA-N 0 0 383.438 -1.509 20 0 GAADRN CNS(=O)(=O)CCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579427774 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/nfs/dbraw/zinc/62/40/80/1075624080.db2.gz YLSHSASGBLQJEH-VIFPVBQESA-N 0 0 383.438 -1.097 20 0 GAADRN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]21 ZINC001579428037 1075624542 /nfs/dbraw/zinc/62/45/42/1075624542.db2.gz YSWYTQYWHFHIMF-IAZYJMLFSA-N 0 0 378.418 -1.638 20 0 GAADRN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579428043 1075624606 /nfs/dbraw/zinc/62/46/06/1075624606.db2.gz YZMBIXLAKQNYFR-DTORHVGOSA-N 0 0 381.422 -1.345 20 0 GAADRN CNS(=O)(=O)CCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579428048 1075624537 /nfs/dbraw/zinc/62/45/37/1075624537.db2.gz ZDSKVAVOVCDTFI-UHFFFAOYSA-N 0 0 384.422 -1.678 20 0 GAADRN CNS(=O)(=O)CCC(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579428049 1075624529 /nfs/dbraw/zinc/62/45/29/1075624529.db2.gz ZENWBCLDQOENMH-UHFFFAOYSA-N 0 0 383.438 -1.509 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579428077 1075624508 /nfs/dbraw/zinc/62/45/08/1075624508.db2.gz AQTPPDWTVIETKB-UHFFFAOYSA-N 0 0 381.422 -2.036 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCNc1ncc(-c2nn[nH]n2)cc1F ZINC001579428084 1075624558 /nfs/dbraw/zinc/62/45/58/1075624558.db2.gz AWXHJHGGFQXMGW-UHFFFAOYSA-N 0 0 387.401 -1.675 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428086 1075624597 /nfs/dbraw/zinc/62/45/97/1075624597.db2.gz BACBQLUAVHQQEV-BDAKNGLRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428087 1075624579 /nfs/dbraw/zinc/62/45/79/1075624579.db2.gz BACBQLUAVHQQEV-DTWKUNHWSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428088 1075624563 /nfs/dbraw/zinc/62/45/63/1075624563.db2.gz BACBQLUAVHQQEV-IUCAKERBSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428089 1075624574 /nfs/dbraw/zinc/62/45/74/1075624574.db2.gz BACBQLUAVHQQEV-RKDXNWHRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001579428092 1075624552 /nfs/dbraw/zinc/62/45/52/1075624552.db2.gz BGOPESRRNGIHHU-DTORHVGOSA-N 0 0 381.422 -1.625 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001579428093 1075624547 /nfs/dbraw/zinc/62/45/47/1075624547.db2.gz BGOPESRRNGIHHU-KYZUINATSA-N 0 0 381.422 -1.625 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001579428099 1075624592 /nfs/dbraw/zinc/62/45/92/1075624592.db2.gz BQACZEFNUSAESH-SECBINFHSA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001579428100 1075624610 /nfs/dbraw/zinc/62/46/10/1075624610.db2.gz BQACZEFNUSAESH-VIFPVBQESA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001579428104 1075624568 /nfs/dbraw/zinc/62/45/68/1075624568.db2.gz BRXARLSZYIUQBF-MRVPVSSYSA-N 0 0 386.413 -1.024 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001579428105 1075624602 /nfs/dbraw/zinc/62/46/02/1075624602.db2.gz BRXARLSZYIUQBF-QMMMGPOBSA-N 0 0 386.413 -1.024 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CNc1ccc(-c2nn[nH]n2)c(C)n1 ZINC001579428106 1075624982 /nfs/dbraw/zinc/62/49/82/1075624982.db2.gz BRZWHDLXUJXEDQ-MRVPVSSYSA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)c(C)n1 ZINC001579428107 1075624959 /nfs/dbraw/zinc/62/49/59/1075624959.db2.gz BRZWHDLXUJXEDQ-QMMMGPOBSA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001579428122 1075625067 /nfs/dbraw/zinc/62/50/67/1075625067.db2.gz CJYQDIAAOSRZSH-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001579428123 1075625040 /nfs/dbraw/zinc/62/50/40/1075625040.db2.gz CJYQDIAAOSRZSH-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579428124 1075624939 /nfs/dbraw/zinc/62/49/39/1075624939.db2.gz CKAUKSCVDGCZID-UHFFFAOYSA-N 0 0 388.479 -1.470 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579428140 1075624992 /nfs/dbraw/zinc/62/49/92/1075624992.db2.gz DPEBDQZODCHZKP-MGCOHNPYSA-N 0 0 381.422 -1.625 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579428147 1075625000 /nfs/dbraw/zinc/62/50/00/1075625000.db2.gz DZUDXDKDJNIOJX-UHFFFAOYSA-N 0 0 382.410 -2.641 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428150 1075624927 /nfs/dbraw/zinc/62/49/27/1075624927.db2.gz FFSADZGNIVQWRM-SECBINFHSA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428151 1075625022 /nfs/dbraw/zinc/62/50/22/1075625022.db2.gz FFSADZGNIVQWRM-VIFPVBQESA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001579428154 1075624973 /nfs/dbraw/zinc/62/49/73/1075624973.db2.gz FGWHVXHHHKKMLT-UHFFFAOYSA-N 0 0 381.422 -2.036 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)c1snc(C)c1-c1nn[nH]n1 ZINC001579428157 1075625030 /nfs/dbraw/zinc/62/50/30/1075625030.db2.gz FKLVHHKQJAUHJC-UHFFFAOYSA-N 0 0 389.467 -1.762 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 ZINC001579428163 1075625080 /nfs/dbraw/zinc/62/50/80/1075625080.db2.gz FPJFQKNLVFJJQS-UHFFFAOYSA-N 0 0 384.426 -2.395 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579428172 1075625006 /nfs/dbraw/zinc/62/50/06/1075625006.db2.gz GCGLBNGKUQGMQC-JTQLQIEISA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579428173 1075625090 /nfs/dbraw/zinc/62/50/90/1075625090.db2.gz GCGLBNGKUQGMQC-SNVBAGLBSA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579428179 1075625394 /nfs/dbraw/zinc/62/53/94/1075625394.db2.gz GOMXLDIVDOPWDD-SECBINFHSA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001579428180 1075625407 /nfs/dbraw/zinc/62/54/07/1075625407.db2.gz GOMXLDIVDOPWDD-VIFPVBQESA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001579428183 1075625477 /nfs/dbraw/zinc/62/54/77/1075625477.db2.gz GPSPFWGHAFOAEI-SECBINFHSA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001579428184 1075625256 /nfs/dbraw/zinc/62/52/56/1075625256.db2.gz GPSPFWGHAFOAEI-VIFPVBQESA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001579428189 1075625379 /nfs/dbraw/zinc/62/53/79/1075625379.db2.gz HAPMBMKYUSRMGC-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001579428190 1075625295 /nfs/dbraw/zinc/62/52/95/1075625295.db2.gz HAPMBMKYUSRMGC-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1OCCOC ZINC001579428204 1075625427 /nfs/dbraw/zinc/62/54/27/1075625427.db2.gz HQQLXIXYKMYECM-UHFFFAOYSA-N 0 0 385.406 -1.116 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579428209 1075625368 /nfs/dbraw/zinc/62/53/68/1075625368.db2.gz HVMWONPWQYDRSR-JTQLQIEISA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579428210 1075625306 /nfs/dbraw/zinc/62/53/06/1075625306.db2.gz HVMWONPWQYDRSR-SNVBAGLBSA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1nc(C)ccc1-c1nn[nH]n1 ZINC001579428220 1075625442 /nfs/dbraw/zinc/62/54/42/1075625442.db2.gz IGOAXGCAAVOVFW-SECBINFHSA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)Nc1nc(C)ccc1-c1nn[nH]n1 ZINC001579428221 1075625279 /nfs/dbraw/zinc/62/52/79/1075625279.db2.gz IGOAXGCAAVOVFW-VIFPVBQESA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001579428233 1075623819 /nfs/dbraw/zinc/62/38/19/1075623819.db2.gz IXJMYXNNTGUOSL-UHFFFAOYSA-N 0 0 383.438 -1.790 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001579428234 1075625811 /nfs/dbraw/zinc/62/58/11/1075625811.db2.gz JATPEMJXEKVIPT-MRVPVSSYSA-N 0 0 386.413 -1.024 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001579428235 1075625721 /nfs/dbraw/zinc/62/57/21/1075625721.db2.gz JATPEMJXEKVIPT-QMMMGPOBSA-N 0 0 386.413 -1.024 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001579428252 1075625748 /nfs/dbraw/zinc/62/57/48/1075625748.db2.gz JVEPZEHKUUDVJE-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001579428253 1075625736 /nfs/dbraw/zinc/62/57/36/1075625736.db2.gz JVEPZEHKUUDVJE-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ncccc1-c1nn[nH]n1 ZINC001579428262 1075625802 /nfs/dbraw/zinc/62/58/02/1075625802.db2.gz KCXFBFBEUVYIEQ-UHFFFAOYSA-N 0 0 383.438 -1.790 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CNc1nc(C)ccc1-c1nn[nH]n1 ZINC001579428264 1075625681 /nfs/dbraw/zinc/62/56/81/1075625681.db2.gz KEYCVSGWZBCOML-SECBINFHSA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nn[nH]n1 ZINC001579428265 1075625854 /nfs/dbraw/zinc/62/58/54/1075625854.db2.gz KEYCVSGWZBCOML-VIFPVBQESA-N 0 0 383.438 -1.459 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579428268 1075625836 /nfs/dbraw/zinc/62/58/36/1075625836.db2.gz KLSOCFYPNWQZCY-JTQLQIEISA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579428269 1075625821 /nfs/dbraw/zinc/62/58/21/1075625821.db2.gz KLSOCFYPNWQZCY-SNVBAGLBSA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001579428270 1075625829 /nfs/dbraw/zinc/62/58/29/1075625829.db2.gz KMXXXXLPBFFJFK-UHFFFAOYSA-N 0 0 387.401 -1.993 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001579428376 1075625705 /nfs/dbraw/zinc/62/57/05/1075625705.db2.gz KTMVSAXWINYWQR-UHFFFAOYSA-N 0 0 383.438 -1.790 20 0 GAADRN CNS(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579428396 1075625770 /nfs/dbraw/zinc/62/57/70/1075625770.db2.gz LLGAPZZMNVRLEL-GFCCVEGCSA-N 0 0 380.434 -1.525 20 0 GAADRN CNS(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579428398 1075625793 /nfs/dbraw/zinc/62/57/93/1075625793.db2.gz LLGAPZZMNVRLEL-LBPRGKRZSA-N 0 0 380.434 -1.525 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001579428400 1075625842 /nfs/dbraw/zinc/62/58/42/1075625842.db2.gz LLIMSUCDBNBVRT-UHFFFAOYSA-N 0 0 381.422 -1.624 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579428416 1075626239 /nfs/dbraw/zinc/62/62/39/1075626239.db2.gz LXQQWRFZKSRRST-SECBINFHSA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579428418 1075626205 /nfs/dbraw/zinc/62/62/05/1075626205.db2.gz LXQQWRFZKSRRST-VIFPVBQESA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428430 1075626161 /nfs/dbraw/zinc/62/61/61/1075626161.db2.gz MGGYLCOIGKHXAZ-SECBINFHSA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428431 1075626258 /nfs/dbraw/zinc/62/62/58/1075626258.db2.gz MGGYLCOIGKHXAZ-VIFPVBQESA-N 0 0 383.438 -1.426 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001579428454 1075626249 /nfs/dbraw/zinc/62/62/49/1075626249.db2.gz MPMGYDGUVPUXEO-SECBINFHSA-N 0 0 383.438 -1.520 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001579428456 1075626187 /nfs/dbraw/zinc/62/61/87/1075626187.db2.gz MPMGYDGUVPUXEO-VIFPVBQESA-N 0 0 383.438 -1.520 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001579428461 1075626074 /nfs/dbraw/zinc/62/60/74/1075626074.db2.gz MSVNKRDNAKRLDR-SSDOTTSWSA-N 0 0 387.401 -1.629 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001579428462 1075626273 /nfs/dbraw/zinc/62/62/73/1075626273.db2.gz MSVNKRDNAKRLDR-ZETCQYMHSA-N 0 0 387.401 -1.629 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCNc1ccc(-c2nn[nH]n2)c(C)n1 ZINC001579428468 1075626217 /nfs/dbraw/zinc/62/62/17/1075626217.db2.gz MXFAEGSHNBPOSO-UHFFFAOYSA-N 0 0 383.438 -1.506 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001579428472 1075626130 /nfs/dbraw/zinc/62/61/30/1075626130.db2.gz NCJNPVJSGQCKCY-UHFFFAOYSA-N 0 0 382.410 -2.641 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)c1nc(C)ccc1-c1nn[nH]n1 ZINC001579428523 1075626266 /nfs/dbraw/zinc/62/62/66/1075626266.db2.gz OGVPFHYQNGFJAF-UHFFFAOYSA-N 0 0 383.438 -1.824 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCCNc1snc(C)c1-c1nn[nH]n1 ZINC001579428533 1075626174 /nfs/dbraw/zinc/62/61/74/1075626174.db2.gz OMWIYBIEHZKWTA-UHFFFAOYSA-N 0 0 389.467 -1.396 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579428566 1075626704 /nfs/dbraw/zinc/62/67/04/1075626704.db2.gz PFRYHZPUHWAVMA-UHFFFAOYSA-N 0 0 381.422 -2.036 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428579 1075626643 /nfs/dbraw/zinc/62/66/43/1075626643.db2.gz PWKXYTDRFXEGLZ-SECBINFHSA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001579428580 1075626613 /nfs/dbraw/zinc/62/66/13/1075626613.db2.gz PWKXYTDRFXEGLZ-VIFPVBQESA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCNc1snc(C)c1-c1nn[nH]n1 ZINC001579428586 1075626529 /nfs/dbraw/zinc/62/65/29/1075626529.db2.gz QBVWPDGDEVKTAX-UHFFFAOYSA-N 0 0 389.467 -1.444 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001579428587 1075626592 /nfs/dbraw/zinc/62/65/92/1075626592.db2.gz QCOGLVTYUXSNJD-SECBINFHSA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001579428588 1075626694 /nfs/dbraw/zinc/62/66/94/1075626694.db2.gz QCOGLVTYUXSNJD-VIFPVBQESA-N 0 0 381.422 -1.672 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001579428602 1075626674 /nfs/dbraw/zinc/62/66/74/1075626674.db2.gz QVLCQUGDXKNREI-BDAKNGLRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001579428603 1075626570 /nfs/dbraw/zinc/62/65/70/1075626570.db2.gz QVLCQUGDXKNREI-DTWKUNHWSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001579428604 1075626492 /nfs/dbraw/zinc/62/64/92/1075626492.db2.gz QVLCQUGDXKNREI-IUCAKERBSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001579428605 1075626541 /nfs/dbraw/zinc/62/65/41/1075626541.db2.gz QVLCQUGDXKNREI-RKDXNWHRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579428614 1075626627 /nfs/dbraw/zinc/62/66/27/1075626627.db2.gz RDVFTKMBMDZGPN-UHFFFAOYSA-N 0 0 380.434 -1.779 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428617 1075626558 /nfs/dbraw/zinc/62/65/58/1075626558.db2.gz RJLVOLOSUKLGSF-SECBINFHSA-N 0 0 383.438 -1.520 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428618 1075626515 /nfs/dbraw/zinc/62/65/15/1075626515.db2.gz RJLVOLOSUKLGSF-VIFPVBQESA-N 0 0 383.438 -1.520 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579428628 1075626602 /nfs/dbraw/zinc/62/66/02/1075626602.db2.gz RNONXLILKFVIDA-UHFFFAOYSA-N 0 0 386.463 -1.718 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[nH]n1 ZINC001579428640 1075626552 /nfs/dbraw/zinc/62/65/52/1075626552.db2.gz RRDKKQVHZNHETN-LURJTMIESA-N 0 0 389.467 -1.398 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001579428646 1075626581 /nfs/dbraw/zinc/62/65/81/1075626581.db2.gz RWYLJFQTFAHBTQ-BDAKNGLRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001579428648 1075626711 /nfs/dbraw/zinc/62/67/11/1075626711.db2.gz RWYLJFQTFAHBTQ-DTWKUNHWSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001579428649 1075626684 /nfs/dbraw/zinc/62/66/84/1075626684.db2.gz RWYLJFQTFAHBTQ-IUCAKERBSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001579428650 1075627084 /nfs/dbraw/zinc/62/70/84/1075627084.db2.gz RWYLJFQTFAHBTQ-RKDXNWHRSA-N 0 0 383.438 -1.379 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCCN(C)c1ncccc1-c1nn[nH]n1 ZINC001579428651 1075627035 /nfs/dbraw/zinc/62/70/35/1075627035.db2.gz SANWYINSIZVIJD-UHFFFAOYSA-N 0 0 383.438 -1.742 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001579428678 1075627028 /nfs/dbraw/zinc/62/70/28/1075627028.db2.gz STCIFVFJRATHKW-VIFPVBQESA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001579428706 1075627091 /nfs/dbraw/zinc/62/70/91/1075627091.db2.gz UFZODFJKHKUTCW-UHFFFAOYSA-N 0 0 381.422 -1.624 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1C ZINC001579428765 1075626955 /nfs/dbraw/zinc/62/69/55/1075626955.db2.gz UQNHPADRODUYGG-BXKDBHETSA-N 0 0 395.449 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)c1ncccc1-c1nn[nH]n1 ZINC001579428874 1075627061 /nfs/dbraw/zinc/62/70/61/1075627061.db2.gz USLCBZBXKLENEE-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[nH]n1 ZINC001579428875 1075627021 /nfs/dbraw/zinc/62/70/21/1075627021.db2.gz USLCBZBXKLENEE-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579428876 1075627013 /nfs/dbraw/zinc/62/70/13/1075627013.db2.gz USOTXYKWXCYGRJ-UHFFFAOYSA-N 0 0 381.422 -1.624 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001579428882 1075627068 /nfs/dbraw/zinc/62/70/68/1075627068.db2.gz VDSKWUSGKNDQBE-UHFFFAOYSA-N 0 0 386.413 -1.388 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCCN(C)c1ccc(-c2nn[nH]n2)c(C)n1 ZINC001579428883 1075626966 /nfs/dbraw/zinc/62/69/66/1075626966.db2.gz VDTFCUHAUTXZEZ-UHFFFAOYSA-N 0 0 383.438 -1.824 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579428890 1075627073 /nfs/dbraw/zinc/62/70/73/1075627073.db2.gz VJXLGSUPOVIDMS-UHFFFAOYSA-N 0 0 382.410 -2.641 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001579428891 1075626990 /nfs/dbraw/zinc/62/69/90/1075626990.db2.gz VKNUNMICMQRWGO-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001579428892 1075626978 /nfs/dbraw/zinc/62/69/78/1075626978.db2.gz VKNUNMICMQRWGO-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579428896 1075627052 /nfs/dbraw/zinc/62/70/52/1075627052.db2.gz VNSMAOQTHNAJNH-UHFFFAOYSA-N 0 0 382.410 -2.641 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579428901 1075627048 /nfs/dbraw/zinc/62/70/48/1075627048.db2.gz VVPDLQRJMBBIKA-SECBINFHSA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579428902 1075627043 /nfs/dbraw/zinc/62/70/43/1075627043.db2.gz VVPDLQRJMBBIKA-VIFPVBQESA-N 0 0 381.422 -1.990 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[nH]n1 ZINC001579428905 1075627004 /nfs/dbraw/zinc/62/70/04/1075627004.db2.gz VZEPDZKBDWCNSV-SECBINFHSA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)c1ncccc1-c1nn[nH]n1 ZINC001579428906 1075627394 /nfs/dbraw/zinc/62/73/94/1075627394.db2.gz VZEPDZKBDWCNSV-VIFPVBQESA-N 0 0 383.438 -1.744 20 0 GAADRN CNS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001579428924 1075627367 /nfs/dbraw/zinc/62/73/67/1075627367.db2.gz WSVGAEZAENRDLS-VIFPVBQESA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001579428925 1075627408 /nfs/dbraw/zinc/62/74/08/1075627408.db2.gz WTYZXHGQZPJXGA-UHFFFAOYSA-N 0 0 384.426 -2.395 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H](C)CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428928 1075627428 /nfs/dbraw/zinc/62/74/28/1075627428.db2.gz WWLFUYMCSZCJKR-SECBINFHSA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001579428929 1075627444 /nfs/dbraw/zinc/62/74/44/1075627444.db2.gz WWLFUYMCSZCJKR-VIFPVBQESA-N 0 0 383.438 -1.378 20 0 GAADRN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579428930 1075627548 /nfs/dbraw/zinc/62/75/48/1075627548.db2.gz WWSMDZVJOMHMRQ-MGCOHNPYSA-N 0 0 381.422 -1.625 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579428960 1075627473 /nfs/dbraw/zinc/62/74/73/1075627473.db2.gz XSEVYHWQPRMUSI-UHFFFAOYSA-N 0 0 380.434 -1.779 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001579428965 1075627520 /nfs/dbraw/zinc/62/75/20/1075627520.db2.gz XTEPJEKCBRDDLP-SSDOTTSWSA-N 0 0 387.401 -1.629 20 0 GAADRN CNS(=O)(=O)NCC(=O)NC[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001579428966 1075627501 /nfs/dbraw/zinc/62/75/01/1075627501.db2.gz XTEPJEKCBRDDLP-ZETCQYMHSA-N 0 0 387.401 -1.629 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579429072 1075627540 /nfs/dbraw/zinc/62/75/40/1075627540.db2.gz YOHCLAIWSIFJNH-GFCCVEGCSA-N 0 0 381.418 -1.180 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579429074 1075627487 /nfs/dbraw/zinc/62/74/87/1075627487.db2.gz YOHCLAIWSIFJNH-LBPRGKRZSA-N 0 0 381.418 -1.180 20 0 GAADRN COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001579434402 1075627822 /nfs/dbraw/zinc/62/78/22/1075627822.db2.gz WJZKXVZNRHLMQA-SECBINFHSA-N 0 0 384.374 -1.155 20 0 GAADRN COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001579434403 1075627776 /nfs/dbraw/zinc/62/77/76/1075627776.db2.gz WJZKXVZNRHLMQA-VIFPVBQESA-N 0 0 384.374 -1.155 20 0 GAADRN COC(=O)[C@]1(O)CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579439224 1075628216 /nfs/dbraw/zinc/62/82/16/1075628216.db2.gz IJTHUXVIPJARCU-AWEZNQCLSA-N 0 0 382.402 -1.355 20 0 GAADRN COC(=O)[C@@]1(O)CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001579439225 1075628250 /nfs/dbraw/zinc/62/82/50/1075628250.db2.gz IJTHUXVIPJARCU-CQSZACIVSA-N 0 0 382.402 -1.355 20 0 GAADRN COC(=O)C1(O)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579439330 1075628276 /nfs/dbraw/zinc/62/82/76/1075628276.db2.gz 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1075640968 /nfs/dbraw/zinc/64/09/68/1075640968.db2.gz LTWHWPBVDWPYQO-LLVKDONJSA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579620681 1075641229 /nfs/dbraw/zinc/64/12/29/1075641229.db2.gz LTWHWPBVDWPYQO-NSHDSACASA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579620684 1075640982 /nfs/dbraw/zinc/64/09/82/1075640982.db2.gz LXCWCICQWWSXFK-JTQLQIEISA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579620685 1075641051 /nfs/dbraw/zinc/64/10/51/1075641051.db2.gz LXCWCICQWWSXFK-SNVBAGLBSA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579620686 1075641008 /nfs/dbraw/zinc/64/10/08/1075641008.db2.gz MAKOVCZCZZFWJE-UHFFFAOYSA-N 0 0 390.404 -1.418 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CCCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579620687 1075641136 /nfs/dbraw/zinc/64/11/36/1075641136.db2.gz MASNGCCVPNVZDY-UHFFFAOYSA-N 0 0 389.420 -1.200 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579620690 1075640993 /nfs/dbraw/zinc/64/09/93/1075640993.db2.gz MHGHRJWWNXLIIX-JTQLQIEISA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579620691 1075641027 /nfs/dbraw/zinc/64/10/27/1075641027.db2.gz MHGHRJWWNXLIIX-SNVBAGLBSA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620694 1075641187 /nfs/dbraw/zinc/64/11/87/1075641187.db2.gz MKNSQXHFBYNKJB-LLVKDONJSA-N 0 0 389.420 -1.154 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620695 1075641070 /nfs/dbraw/zinc/64/10/70/1075641070.db2.gz MKNSQXHFBYNKJB-NSHDSACASA-N 0 0 389.420 -1.154 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001579620708 1075641175 /nfs/dbraw/zinc/64/11/75/1075641175.db2.gz MTKUESCHQSDBPV-LLVKDONJSA-N 0 0 392.420 -1.402 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[nH]n1 ZINC001579620709 1075641100 /nfs/dbraw/zinc/64/11/00/1075641100.db2.gz MTKUESCHQSDBPV-NSHDSACASA-N 0 0 392.420 -1.402 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579620719 1075641212 /nfs/dbraw/zinc/64/12/12/1075641212.db2.gz MYCIAXWXRYKLAG-NXEZZACHSA-N 0 0 392.420 -1.077 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579620720 1075641085 /nfs/dbraw/zinc/64/10/85/1075641085.db2.gz MYCIAXWXRYKLAG-UWVGGRQHSA-N 0 0 392.420 -1.077 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579620721 1075641150 /nfs/dbraw/zinc/64/11/50/1075641150.db2.gz MYCIAXWXRYKLAG-VHSXEESVSA-N 0 0 392.420 -1.077 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579620722 1075641200 /nfs/dbraw/zinc/64/12/00/1075641200.db2.gz MYCIAXWXRYKLAG-ZJUUUORDSA-N 0 0 392.420 -1.077 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579620731 1075641550 /nfs/dbraw/zinc/64/15/50/1075641550.db2.gz NHLNALBUDCDULG-LLVKDONJSA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579620732 1075641577 /nfs/dbraw/zinc/64/15/77/1075641577.db2.gz NHLNALBUDCDULG-NSHDSACASA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579620733 1075641527 /nfs/dbraw/zinc/64/15/27/1075641527.db2.gz NIDMHJAEXCOHJL-UHFFFAOYSA-N 0 0 375.393 -1.590 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579620749 1075641445 /nfs/dbraw/zinc/64/14/45/1075641445.db2.gz NUDCVDDNBKMWRT-JTQLQIEISA-N 0 0 377.409 -1.298 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[nH]n1 ZINC001579620750 1075641433 /nfs/dbraw/zinc/64/14/33/1075641433.db2.gz NUDCVDDNBKMWRT-SNVBAGLBSA-N 0 0 377.409 -1.298 20 0 GAADRN COCC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579620759 1075641562 /nfs/dbraw/zinc/64/15/62/1075641562.db2.gz NZQTUQJSQFBJRO-JTQLQIEISA-N 0 0 392.420 -1.218 20 0 GAADRN COCC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579620760 1075641540 /nfs/dbraw/zinc/64/15/40/1075641540.db2.gz NZQTUQJSQFBJRO-SNVBAGLBSA-N 0 0 392.420 -1.218 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579620764 1075641518 /nfs/dbraw/zinc/64/15/18/1075641518.db2.gz OCZYFJYALNLZKX-JTQLQIEISA-N 0 0 377.409 -1.298 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001579620765 1075641509 /nfs/dbraw/zinc/64/15/09/1075641509.db2.gz OCZYFJYALNLZKX-SNVBAGLBSA-N 0 0 377.409 -1.298 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001579620768 1075641500 /nfs/dbraw/zinc/64/15/00/1075641500.db2.gz OEUFYTUEASBVGP-LLVKDONJSA-N 0 0 389.420 -1.235 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001579620769 1075641570 /nfs/dbraw/zinc/64/15/70/1075641570.db2.gz OEUFYTUEASBVGP-NSHDSACASA-N 0 0 389.420 -1.235 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579620772 1075641479 /nfs/dbraw/zinc/64/14/79/1075641479.db2.gz OHZUSPNNZPWEMM-UHFFFAOYSA-N 0 0 391.436 -1.035 20 0 GAADRN COCC(=O)N(C)CC(=O)NC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579620773 1075641558 /nfs/dbraw/zinc/64/15/58/1075641558.db2.gz OKVCRPJQYYAVJQ-UHFFFAOYSA-N 0 0 390.404 -1.322 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579620791 1075641466 /nfs/dbraw/zinc/64/14/66/1075641466.db2.gz OYKUDNRUWQSGAG-JTQLQIEISA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579620792 1075641593 /nfs/dbraw/zinc/64/15/93/1075641593.db2.gz OYKUDNRUWQSGAG-SNVBAGLBSA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001579620794 1075641424 /nfs/dbraw/zinc/64/14/24/1075641424.db2.gz PIVPMRFDHBIUCD-UHFFFAOYSA-N 0 0 377.409 -1.060 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620809 1075641489 /nfs/dbraw/zinc/64/14/89/1075641489.db2.gz PTLBAXYRFFXPQN-JTQLQIEISA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620810 1075641456 /nfs/dbraw/zinc/64/14/56/1075641456.db2.gz PTLBAXYRFFXPQN-SNVBAGLBSA-N 0 0 375.393 -1.226 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579620817 1075641859 /nfs/dbraw/zinc/64/18/59/1075641859.db2.gz PWLWXPZMALCWEX-JTQLQIEISA-N 0 0 392.420 -1.124 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579620818 1075642043 /nfs/dbraw/zinc/64/20/43/1075642043.db2.gz PWLWXPZMALCWEX-SNVBAGLBSA-N 0 0 392.420 -1.124 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579620828 1075642023 /nfs/dbraw/zinc/64/20/23/1075642023.db2.gz QENZSAXXXFWNPS-JTQLQIEISA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579620829 1075641884 /nfs/dbraw/zinc/64/18/84/1075641884.db2.gz QENZSAXXXFWNPS-SNVBAGLBSA-N 0 0 390.404 -1.370 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)CC1 ZINC001579620831 1075641869 /nfs/dbraw/zinc/64/18/69/1075641869.db2.gz QHPNVPFKXOBPAR-UHFFFAOYSA-N 0 0 389.420 -1.281 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579620839 1075642008 /nfs/dbraw/zinc/64/20/08/1075642008.db2.gz QNTFZODSRYAUTQ-UHFFFAOYSA-N 0 0 376.377 -1.760 20 0 GAADRN COCC(=O)N(C)CC(=O)N1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579620842 1075641897 /nfs/dbraw/zinc/64/18/97/1075641897.db2.gz QRGLEHXMCBGEEZ-UHFFFAOYSA-N 0 0 390.404 -1.512 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579620843 1075641919 /nfs/dbraw/zinc/64/19/19/1075641919.db2.gz QRZMBGSRRIVIOU-UHFFFAOYSA-N 0 0 390.404 -1.418 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579620844 1075641953 /nfs/dbraw/zinc/64/19/53/1075641953.db2.gz QTLWAGRNUUYSOT-LLVKDONJSA-N 0 0 389.420 -1.154 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579620845 1075642014 /nfs/dbraw/zinc/64/20/14/1075642014.db2.gz QTLWAGRNUUYSOT-NSHDSACASA-N 0 0 389.420 -1.154 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579620851 1075641982 /nfs/dbraw/zinc/64/19/82/1075641982.db2.gz RAQUBZPFMIHFEH-GFCCVEGCSA-N 0 0 392.420 -1.402 20 0 GAADRN COCC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001579620852 1075641967 /nfs/dbraw/zinc/64/19/67/1075641967.db2.gz RAQUBZPFMIHFEH-LBPRGKRZSA-N 0 0 392.420 -1.402 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620867 1075641999 /nfs/dbraw/zinc/64/19/99/1075641999.db2.gz RGGNVYBBGJVTOZ-INIZCTEOSA-N 0 0 389.420 -1.154 20 0 GAADRN COCC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579620868 1075642261 /nfs/dbraw/zinc/64/22/61/1075642261.db2.gz 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Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001580632274 1075725936 /nfs/dbraw/zinc/72/59/36/1075725936.db2.gz MGQIHIHJOWASKP-NSHDSACASA-N 0 0 388.436 -1.662 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001580632416 1075726019 /nfs/dbraw/zinc/72/60/19/1075726019.db2.gz OMXGBYQMBISOEI-ADEWGFFLSA-N 0 0 389.420 -1.061 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001580632417 1075726258 /nfs/dbraw/zinc/72/62/58/1075726258.db2.gz OMXGBYQMBISOEI-ZMLRMANQSA-N 0 0 389.420 -1.061 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001580632532 1075726099 /nfs/dbraw/zinc/72/60/99/1075726099.db2.gz OSVZCHBKCHXRCJ-LLVKDONJSA-N 0 0 389.420 -1.235 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001580632533 1075726193 /nfs/dbraw/zinc/72/61/93/1075726193.db2.gz OSVZCHBKCHXRCJ-NSHDSACASA-N 0 0 389.420 -1.235 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001580632780 1075725984 /nfs/dbraw/zinc/72/59/84/1075725984.db2.gz RMEPFJKKVFSGHA-SECBINFHSA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001580632781 1075725958 /nfs/dbraw/zinc/72/59/58/1075725958.db2.gz RMEPFJKKVFSGHA-VIFPVBQESA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)C2CS(=O)(=O)C2)n1 ZINC001580633078 1075726153 /nfs/dbraw/zinc/72/61/53/1075726153.db2.gz UKJLSNHGMVRBAK-SECBINFHSA-N 0 0 380.434 -1.049 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)C2CS(=O)(=O)C2)n1 ZINC001580633079 1075726243 /nfs/dbraw/zinc/72/62/43/1075726243.db2.gz UKJLSNHGMVRBAK-VIFPVBQESA-N 0 0 380.434 -1.049 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580633094 1075726000 /nfs/dbraw/zinc/72/60/00/1075726000.db2.gz UNQQYSKOVXZDHO-JTQLQIEISA-N 0 0 387.408 -1.499 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580633096 1075726116 /nfs/dbraw/zinc/72/61/16/1075726116.db2.gz UNQQYSKOVXZDHO-SNVBAGLBSA-N 0 0 387.408 -1.499 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001580634293 1075726034 /nfs/dbraw/zinc/72/60/34/1075726034.db2.gz BRRLGJDRBZBZHN-LLVKDONJSA-N 0 0 387.408 -1.488 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001580634294 1075726137 /nfs/dbraw/zinc/72/61/37/1075726137.db2.gz BRRLGJDRBZBZHN-NSHDSACASA-N 0 0 387.408 -1.488 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)n1 ZINC001580634315 1075726076 /nfs/dbraw/zinc/72/60/76/1075726076.db2.gz CJWXUVXNURRMBI-GXSJLCMTSA-N 0 0 391.436 -1.268 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)n1 ZINC001580634316 1075726557 /nfs/dbraw/zinc/72/65/57/1075726557.db2.gz CJWXUVXNURRMBI-KOLCDFICSA-N 0 0 391.436 -1.268 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)n1 ZINC001580634317 1075726471 /nfs/dbraw/zinc/72/64/71/1075726471.db2.gz CJWXUVXNURRMBI-MWLCHTKSSA-N 0 0 391.436 -1.268 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)n1 ZINC001580634318 1075726568 /nfs/dbraw/zinc/72/65/68/1075726568.db2.gz CJWXUVXNURRMBI-ONGXEEELSA-N 0 0 391.436 -1.268 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2COCCO2)n1 ZINC001580634381 1075726633 /nfs/dbraw/zinc/72/66/33/1075726633.db2.gz DXBYPEPGHLDJNK-AAEUAGOBSA-N 0 0 392.420 -1.364 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2COCCO2)n1 ZINC001580634382 1075726517 /nfs/dbraw/zinc/72/65/17/1075726517.db2.gz DXBYPEPGHLDJNK-DGCLKSJQSA-N 0 0 392.420 -1.364 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2COCCO2)n1 ZINC001580634383 1075726508 /nfs/dbraw/zinc/72/65/08/1075726508.db2.gz DXBYPEPGHLDJNK-WCQYABFASA-N 0 0 392.420 -1.364 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2COCCO2)n1 ZINC001580634384 1075726548 /nfs/dbraw/zinc/72/65/48/1075726548.db2.gz DXBYPEPGHLDJNK-YPMHNXCESA-N 0 0 392.420 -1.364 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001580634413 1075726606 /nfs/dbraw/zinc/72/66/06/1075726606.db2.gz FKVBUEVAQNLSHN-GHMZBOCLSA-N 0 0 389.420 -1.501 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001580634414 1075726498 /nfs/dbraw/zinc/72/64/98/1075726498.db2.gz FKVBUEVAQNLSHN-MNOVXSKESA-N 0 0 389.420 -1.501 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001580634415 1075726455 /nfs/dbraw/zinc/72/64/55/1075726455.db2.gz FKVBUEVAQNLSHN-QWRGUYRKSA-N 0 0 389.420 -1.501 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001580634416 1075726561 /nfs/dbraw/zinc/72/65/61/1075726561.db2.gz FKVBUEVAQNLSHN-WDEREUQCSA-N 0 0 389.420 -1.501 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001580634489 1075726586 /nfs/dbraw/zinc/72/65/86/1075726586.db2.gz HKVVSIDEDMHVSQ-GXSJLCMTSA-N 0 0 391.392 -1.671 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001580634490 1075726573 /nfs/dbraw/zinc/72/65/73/1075726573.db2.gz HKVVSIDEDMHVSQ-KOLCDFICSA-N 0 0 391.392 -1.671 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001580634491 1075726528 /nfs/dbraw/zinc/72/65/28/1075726528.db2.gz HKVVSIDEDMHVSQ-MWLCHTKSSA-N 0 0 391.392 -1.671 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001580634492 1075726594 /nfs/dbraw/zinc/72/65/94/1075726594.db2.gz HKVVSIDEDMHVSQ-ONGXEEELSA-N 0 0 391.392 -1.671 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)Cc2nnc[nH]2)n1 ZINC001580634681 1075726439 /nfs/dbraw/zinc/72/64/39/1075726439.db2.gz JNJPCZZWMMUFBF-JTQLQIEISA-N 0 0 387.408 -1.419 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)Cc2nnc[nH]2)n1 ZINC001580634682 1075726642 /nfs/dbraw/zinc/72/66/42/1075726642.db2.gz JNJPCZZWMMUFBF-SNVBAGLBSA-N 0 0 387.408 -1.419 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)CCCC(N)=O)n1 ZINC001580634851 1075726619 /nfs/dbraw/zinc/72/66/19/1075726619.db2.gz LWEAXEXGOQFZOI-LLVKDONJSA-N 0 0 391.436 -1.124 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)CCCC(N)=O)n1 ZINC001580634852 1075726538 /nfs/dbraw/zinc/72/65/38/1075726538.db2.gz LWEAXEXGOQFZOI-NSHDSACASA-N 0 0 391.436 -1.124 20 0 GAADRN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 ZINC001580634859 1075726483 /nfs/dbraw/zinc/72/64/83/1075726483.db2.gz MAHGCLMOBCVQIL-JTQLQIEISA-N 0 0 387.408 -1.039 20 0 GAADRN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 ZINC001580634860 1075726880 /nfs/dbraw/zinc/72/68/80/1075726880.db2.gz MAHGCLMOBCVQIL-SNVBAGLBSA-N 0 0 387.408 -1.039 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001580634869 1075726949 /nfs/dbraw/zinc/72/69/49/1075726949.db2.gz MGWUBYFXAPMROC-GXSJLCMTSA-N 0 0 390.408 -2.098 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001580634870 1075726990 /nfs/dbraw/zinc/72/69/90/1075726990.db2.gz MGWUBYFXAPMROC-KOLCDFICSA-N 0 0 390.408 -2.098 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001580634871 1075726820 /nfs/dbraw/zinc/72/68/20/1075726820.db2.gz MGWUBYFXAPMROC-MWLCHTKSSA-N 0 0 390.408 -2.098 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001580634872 1075727022 /nfs/dbraw/zinc/72/70/22/1075727022.db2.gz MGWUBYFXAPMROC-ONGXEEELSA-N 0 0 390.408 -2.098 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)c2ncn(C)n2)n1 ZINC001580635517 1075726933 /nfs/dbraw/zinc/72/69/33/1075726933.db2.gz RVNMIPWAPSVNIV-JTQLQIEISA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)c2ncn(C)n2)n1 ZINC001580635521 1075726915 /nfs/dbraw/zinc/72/69/15/1075726915.db2.gz RVNMIPWAPSVNIV-SNVBAGLBSA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)c2cn(C)nn2)n1 ZINC001580635577 1075726900 /nfs/dbraw/zinc/72/69/00/1075726900.db2.gz SUSBRNWVIBFFEB-JTQLQIEISA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)c2cn(C)nn2)n1 ZINC001580635578 1075726864 /nfs/dbraw/zinc/72/68/64/1075726864.db2.gz SUSBRNWVIBFFEB-SNVBAGLBSA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)c2cnn(C)n2)n1 ZINC001580635947 1075727083 /nfs/dbraw/zinc/72/70/83/1075727083.db2.gz WCCPJKXSWWVXKG-JTQLQIEISA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)c2cnn(C)n2)n1 ZINC001580635948 1075727033 /nfs/dbraw/zinc/72/70/33/1075727033.db2.gz WCCPJKXSWWVXKG-SNVBAGLBSA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)c2cnnn2C)n1 ZINC001580635959 1075726837 /nfs/dbraw/zinc/72/68/37/1075726837.db2.gz WGERUMLPGXGEFT-JTQLQIEISA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)c2cnnn2C)n1 ZINC001580635960 1075727010 /nfs/dbraw/zinc/72/70/10/1075727010.db2.gz WGERUMLPGXGEFT-SNVBAGLBSA-N 0 0 387.408 -1.337 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001580636659 1075727071 /nfs/dbraw/zinc/72/70/71/1075727071.db2.gz FZPRPBBORIKYON-LLVKDONJSA-N 0 0 384.408 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001580636660 1075727057 /nfs/dbraw/zinc/72/70/57/1075727057.db2.gz FZPRPBBORIKYON-NSHDSACASA-N 0 0 384.408 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001580636689 1075727041 /nfs/dbraw/zinc/72/70/41/1075727041.db2.gz GQJAEUIQVCQTFD-LLVKDONJSA-N 0 0 384.408 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001580636690 1075726965 /nfs/dbraw/zinc/72/69/65/1075726965.db2.gz GQJAEUIQVCQTFD-NSHDSACASA-N 0 0 384.408 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580636897 1075726977 /nfs/dbraw/zinc/72/69/77/1075726977.db2.gz KDKITQRPVKBMCV-CMPLNLGQSA-N 0 0 386.420 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580636898 1075727091 /nfs/dbraw/zinc/72/70/91/1075727091.db2.gz KDKITQRPVKBMCV-JQWIXIFHSA-N 0 0 386.420 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580636999 1075727001 /nfs/dbraw/zinc/72/70/01/1075727001.db2.gz KDKITQRPVKBMCV-PWSUYJOCSA-N 0 0 386.420 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580637000 1075727416 /nfs/dbraw/zinc/72/74/16/1075727416.db2.gz KDKITQRPVKBMCV-ZYHUDNBSSA-N 0 0 386.420 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCN(C)C(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001580638087 1075727463 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Cc1nn(CC(=O)NCCN(C)c2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580641363 1075727190 /nfs/dbraw/zinc/72/71/90/1075727190.db2.gz BIOLSMRLWDWQDO-UHFFFAOYSA-N 0 0 387.408 -1.579 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001580641520 1075727201 /nfs/dbraw/zinc/72/72/01/1075727201.db2.gz FMKJRRNXLWJALW-SECBINFHSA-N 0 0 381.422 -1.791 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001580641523 1075727351 /nfs/dbraw/zinc/72/73/51/1075727351.db2.gz FMKJRRNXLWJALW-VIFPVBQESA-N 0 0 381.422 -1.791 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CN2CCC(=O)NC2=O)n1 ZINC001580641590 1075727258 /nfs/dbraw/zinc/72/72/58/1075727258.db2.gz HIQMRXHTLHUOTF-UHFFFAOYSA-N 0 0 388.392 -1.541 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CCNS(C)(=O)=O)n1 ZINC001580641591 1075727364 /nfs/dbraw/zinc/72/73/64/1075727364.db2.gz HIWDPDNRWNFACT-UHFFFAOYSA-N 0 0 383.438 -1.543 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CC2CS(=O)(=O)C2)n1 ZINC001580641595 1075727483 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383.438 -1.591 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CCn2ncn(C)c2=O)n1 ZINC001580642154 1075727768 /nfs/dbraw/zinc/72/77/68/1075727768.db2.gz QZVPTJQEVRGRIE-UHFFFAOYSA-N 0 0 387.408 -1.497 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001580642228 1075727708 /nfs/dbraw/zinc/72/77/08/1075727708.db2.gz UMGXUBHURWVYHF-UHFFFAOYSA-N 0 0 383.438 -1.591 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(CCO)C2CCN(C(=O)CC(N)=O)CC2)n1 ZINC001580642745 1075727697 /nfs/dbraw/zinc/72/76/97/1075727697.db2.gz FIDDWYSUNRZPLZ-UHFFFAOYSA-N 0 0 389.420 -1.370 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001580643128 1075727757 /nfs/dbraw/zinc/72/77/57/1075727757.db2.gz LQNDZZVMHGISPM-JTQLQIEISA-N 0 0 375.393 -1.760 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001580643133 1075727659 /nfs/dbraw/zinc/72/76/59/1075727659.db2.gz LQNDZZVMHGISPM-SNVBAGLBSA-N 0 0 375.393 -1.760 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)C2(C(N)=O)CC2)n1 ZINC001580644858 1075727718 /nfs/dbraw/zinc/72/77/18/1075727718.db2.gz QPRGPHWRNJFGDY-UHFFFAOYSA-N 0 0 389.420 -1.200 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)n1 ZINC001580646375 1075727734 /nfs/dbraw/zinc/72/77/34/1075727734.db2.gz AMWYFYHPZAGPKX-JFGNBEQYSA-N 0 0 384.404 -1.174 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001580646376 1075727746 /nfs/dbraw/zinc/72/77/46/1075727746.db2.gz AMWYFYHPZAGPKX-UMNHJUIQSA-N 0 0 384.404 -1.174 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ncnn2)n1 ZINC001580646583 1075727621 /nfs/dbraw/zinc/72/76/21/1075727621.db2.gz IMCKOMHQPDMIJQ-PHIMTYICSA-N 0 0 382.392 -1.169 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2nnn(C)n2)n1 ZINC001580646671 1075727685 /nfs/dbraw/zinc/72/76/85/1075727685.db2.gz LHWXJEBBZYDUQL-AOOOYVTPSA-N 0 0 382.392 -1.018 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)n1 ZINC001580647255 1075727980 /nfs/dbraw/zinc/72/79/80/1075727980.db2.gz CEXPVCIXLQTMLY-RTCCRHLQSA-N 0 0 382.392 -1.550 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)Cn3cnnn3)C(C)(C)C2)n1 ZINC001580648133 1075728000 /nfs/dbraw/zinc/72/80/00/1075728000.db2.gz GRJQWIQVZWCESE-LLVKDONJSA-N 0 0 384.408 -1.017 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H](NC(=O)Cn3cnnn3)C(C)(C)C2)n1 ZINC001580648135 1075727959 /nfs/dbraw/zinc/72/79/59/1075727959.db2.gz GRJQWIQVZWCESE-NSHDSACASA-N 0 0 384.408 -1.017 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@@H]3C2)n1 ZINC001580648750 1075727932 /nfs/dbraw/zinc/72/79/32/1075727932.db2.gz JBUXTDGMBBXKLO-XWLWVQCSSA-N 0 0 386.420 -1.180 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]3C2)n1 ZINC001580650248 1075728013 /nfs/dbraw/zinc/72/80/13/1075728013.db2.gz PSMCSPSYYHIZLP-RTCCRHLQSA-N 0 0 392.445 -1.192 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)n1 ZINC001580650481 1075728028 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/nfs/dbraw/zinc/72/82/72/1075728272.db2.gz USOHXYCLTLMBES-WDEREUQCSA-N 0 0 386.420 -1.022 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001580651039 1075728241 /nfs/dbraw/zinc/72/82/41/1075728241.db2.gz OPAQFRSGRXCZGH-GFCCVEGCSA-N 0 0 384.404 -1.101 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001580651040 1075728165 /nfs/dbraw/zinc/72/81/65/1075728165.db2.gz OPAQFRSGRXCZGH-LBPRGKRZSA-N 0 0 384.404 -1.101 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)CCNC(N)=O)[C@@H]3C2)n1 ZINC001580651115 1075728155 /nfs/dbraw/zinc/72/81/55/1075728155.db2.gz XFKBUKUGDRRPFL-RTCCRHLQSA-N 0 0 386.420 -1.178 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)n1 ZINC001580651131 1075728205 /nfs/dbraw/zinc/72/82/05/1075728205.db2.gz XTWAFOCLLFHHHQ-RTCCRHLQSA-N 0 0 382.392 -1.550 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)n1 ZINC001580651291 1075728308 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Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](CNC(=O)CCn3cnnn3)C2)n1 ZINC001580653399 1075728491 /nfs/dbraw/zinc/72/84/91/1075728491.db2.gz XSFPUJZRVHCFDC-LLVKDONJSA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](CNC(=O)CCn3cnnn3)C2)n1 ZINC001580653401 1075728665 /nfs/dbraw/zinc/72/86/65/1075728665.db2.gz XSFPUJZRVHCFDC-NSHDSACASA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)C3=COCCO3)[C@H](O)C2)n1 ZINC001580656834 1075728711 /nfs/dbraw/zinc/72/87/11/1075728711.db2.gz ZAIJIFYOMNYNSS-CMPLNLGQSA-N 0 0 388.388 -1.091 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)C3=COCCO3)[C@@H](O)C2)n1 ZINC001580656835 1075728516 /nfs/dbraw/zinc/72/85/16/1075728516.db2.gz ZAIJIFYOMNYNSS-JQWIXIFHSA-N 0 0 388.388 -1.091 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)n1 ZINC001580656836 1075728701 /nfs/dbraw/zinc/72/87/01/1075728701.db2.gz ZAIJIFYOMNYNSS-PWSUYJOCSA-N 0 0 388.388 -1.091 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)C3=COCCO3)[C@H](O)C2)n1 ZINC001580656837 1075728638 /nfs/dbraw/zinc/72/86/38/1075728638.db2.gz ZAIJIFYOMNYNSS-ZYHUDNBSSA-N 0 0 388.388 -1.091 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC(CNC(=O)Cn3ncnn3)CC2)n1 ZINC001580657584 1075728622 /nfs/dbraw/zinc/72/86/22/1075728622.db2.gz WJNGEIAEDQIALZ-UHFFFAOYSA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001580657654 1075728582 /nfs/dbraw/zinc/72/85/82/1075728582.db2.gz YAVBTCFOHBQOKJ-JTQLQIEISA-N 0 0 380.434 -1.048 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001580657656 1075728596 /nfs/dbraw/zinc/72/85/96/1075728596.db2.gz YAVBTCFOHBQOKJ-SNVBAGLBSA-N 0 0 380.434 -1.048 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)n1 ZINC001580659433 1075728966 /nfs/dbraw/zinc/72/89/66/1075728966.db2.gz FFQDQIIRWODOSC-AAEUAGOBSA-N 0 0 384.404 -1.082 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cn3ccnc3)[C@H](O)C2)n1 ZINC001580659434 1075729085 /nfs/dbraw/zinc/72/90/85/1075729085.db2.gz FFQDQIIRWODOSC-DGCLKSJQSA-N 0 0 384.404 -1.082 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cn3ccnc3)[C@H](O)C2)n1 ZINC001580659435 1075729064 /nfs/dbraw/zinc/72/90/64/1075729064.db2.gz FFQDQIIRWODOSC-WCQYABFASA-N 0 0 384.404 -1.082 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)n1 ZINC001580659436 1075728983 /nfs/dbraw/zinc/72/89/83/1075728983.db2.gz FFQDQIIRWODOSC-YPMHNXCESA-N 0 0 384.404 -1.082 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001580659681 1075729044 /nfs/dbraw/zinc/72/90/44/1075729044.db2.gz IKXUECQGBLOHMG-LLVKDONJSA-N 0 0 386.420 -1.908 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001580659682 1075729032 /nfs/dbraw/zinc/72/90/32/1075729032.db2.gz IKXUECQGBLOHMG-NSHDSACASA-N 0 0 386.420 -1.908 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001580660117 1075729054 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Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)n1 ZINC001580661647 1075729339 /nfs/dbraw/zinc/72/93/39/1075729339.db2.gz CTXZSNJJSHGQGH-BXKDBHETSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)n1 ZINC001580661648 1075729316 /nfs/dbraw/zinc/72/93/16/1075729316.db2.gz CTXZSNJJSHGQGH-CABZTGNLSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)n1 ZINC001580661649 1075729473 /nfs/dbraw/zinc/72/94/73/1075729473.db2.gz CTXZSNJJSHGQGH-JOYOIKCWSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)n1 ZINC001580661650 1075729295 /nfs/dbraw/zinc/72/92/95/1075729295.db2.gz CTXZSNJJSHGQGH-SKDRFNHKSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)c3cn(C)nn3)C2)n1 ZINC001580661858 1075729274 /nfs/dbraw/zinc/72/92/74/1075729274.db2.gz GDQAQWNVSAFMKW-HNNXBMFYSA-N 0 0 385.392 -1.535 20 0 GAADRN 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ZINC001580662114 1075729448 /nfs/dbraw/zinc/72/94/48/1075729448.db2.gz JFUFXBBPAPXAFO-INIZCTEOSA-N 0 0 384.404 -1.081 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)Cn3cccn3)C2)n1 ZINC001580662115 1075729323 /nfs/dbraw/zinc/72/93/23/1075729323.db2.gz JFUFXBBPAPXAFO-MRXNPFEDSA-N 0 0 384.404 -1.081 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001580662156 1075729383 /nfs/dbraw/zinc/72/93/83/1075729383.db2.gz KMYOMUPQPDFTNS-BLLLJJGKSA-N 0 0 390.404 -1.562 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001580662157 1075729423 /nfs/dbraw/zinc/72/94/23/1075729423.db2.gz KMYOMUPQPDFTNS-LRDDRELGSA-N 0 0 390.404 -1.562 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001580662158 1075729838 /nfs/dbraw/zinc/72/98/38/1075729838.db2.gz KMYOMUPQPDFTNS-MLGOLLRUSA-N 0 0 390.404 -1.562 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001580662159 1075729625 /nfs/dbraw/zinc/72/96/25/1075729625.db2.gz KMYOMUPQPDFTNS-WBMJQRKESA-N 0 0 390.404 -1.562 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)Cn3ccnc3)C2)n1 ZINC001580662167 1075729895 /nfs/dbraw/zinc/72/98/95/1075729895.db2.gz KQIOYMRKSIJWRL-INIZCTEOSA-N 0 0 384.404 -1.081 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)Cn3ccnc3)C2)n1 ZINC001580662168 1075729720 /nfs/dbraw/zinc/72/97/20/1075729720.db2.gz KQIOYMRKSIJWRL-MRXNPFEDSA-N 0 0 384.404 -1.081 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001580662187 1075729821 /nfs/dbraw/zinc/72/98/21/1075729821.db2.gz LAKADVMVLBEDDC-JJTUWOBKSA-N 0 0 386.416 -1.085 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001580662188 1075729686 /nfs/dbraw/zinc/72/96/86/1075729686.db2.gz LAKADVMVLBEDDC-ZKAWZIJESA-N 0 0 386.416 -1.085 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)n1 ZINC001580662281 1075729702 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QJPKFKBZMIQLJB-OAHLLOKOSA-N 0 0 385.392 -1.686 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)n1 ZINC001580662385 1075729776 /nfs/dbraw/zinc/72/97/76/1075729776.db2.gz QQPLDZXOGFUUDM-GXSJLCMTSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)n1 ZINC001580662386 1075729597 /nfs/dbraw/zinc/72/95/97/1075729597.db2.gz QQPLDZXOGFUUDM-KOLCDFICSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)n1 ZINC001580662387 1075729851 /nfs/dbraw/zinc/72/98/51/1075729851.db2.gz QQPLDZXOGFUUDM-MWLCHTKSSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)n1 ZINC001580662388 1075729868 /nfs/dbraw/zinc/72/98/68/1075729868.db2.gz QQPLDZXOGFUUDM-ONGXEEELSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001580662665 1075729609 /nfs/dbraw/zinc/72/96/09/1075729609.db2.gz VCLZCLQFYRJYPA-HWPZZCPQSA-N 0 0 387.404 -1.699 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001580662666 1075729765 /nfs/dbraw/zinc/72/97/65/1075729765.db2.gz VCLZCLQFYRJYPA-MGPLVRAMSA-N 0 0 387.404 -1.699 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001580662667 1075729884 /nfs/dbraw/zinc/72/98/84/1075729884.db2.gz VCLZCLQFYRJYPA-QFYYESIMSA-N 0 0 387.404 -1.699 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001580662668 1075729649 /nfs/dbraw/zinc/72/96/49/1075729649.db2.gz VCLZCLQFYRJYPA-QLJPJBMISA-N 0 0 387.404 -1.699 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580662733 1075730254 /nfs/dbraw/zinc/73/02/54/1075730254.db2.gz CZONHPKCMKDDED-CMPLNLGQSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580662735 1075730196 /nfs/dbraw/zinc/73/01/96/1075730196.db2.gz CZONHPKCMKDDED-JQWIXIFHSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580662736 1075730185 /nfs/dbraw/zinc/73/01/85/1075730185.db2.gz CZONHPKCMKDDED-PWSUYJOCSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580662737 1075730249 /nfs/dbraw/zinc/73/02/49/1075730249.db2.gz CZONHPKCMKDDED-ZYHUDNBSSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)n1 ZINC001580662996 1075730128 /nfs/dbraw/zinc/73/01/28/1075730128.db2.gz YMRQXGCWPLTGJX-BXKDBHETSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)n1 ZINC001580662997 1075730141 /nfs/dbraw/zinc/73/01/41/1075730141.db2.gz YMRQXGCWPLTGJX-CABZTGNLSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)n1 ZINC001580662998 1075730025 /nfs/dbraw/zinc/73/00/25/1075730025.db2.gz YMRQXGCWPLTGJX-JOYOIKCWSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)n1 ZINC001580662999 1075730170 /nfs/dbraw/zinc/73/01/70/1075730170.db2.gz YMRQXGCWPLTGJX-SKDRFNHKSA-N 0 0 385.392 -1.537 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](CNC(=O)Cn3cnnn3)C2)n1 ZINC001580663225 1075730059 /nfs/dbraw/zinc/73/00/59/1075730059.db2.gz JVRAYACQHWLPJO-LLVKDONJSA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)n1 ZINC001580663226 1075730156 /nfs/dbraw/zinc/73/01/56/1075730156.db2.gz JVRAYACQHWLPJO-NSHDSACASA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@H](CNC(=O)Cn3ncnn3)C2)n1 ZINC001580664474 1075730225 /nfs/dbraw/zinc/73/02/25/1075730225.db2.gz XDRIVQGKCORIAT-LLVKDONJSA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@H](CNC(=O)Cn3ncnn3)C2)n1 ZINC001580664475 1075730098 /nfs/dbraw/zinc/73/00/98/1075730098.db2.gz XDRIVQGKCORIAT-NSHDSACASA-N 0 0 384.408 -1.016 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)n1 ZINC001580671084 1075730234 /nfs/dbraw/zinc/73/02/34/1075730234.db2.gz BOFLPBSBWDVVGJ-UHFFFAOYSA-N 0 0 378.418 -1.342 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)n1 ZINC001580671664 1075730241 /nfs/dbraw/zinc/73/02/41/1075730241.db2.gz NTGABUMKZGLKDB-JTQLQIEISA-N 0 0 386.376 -1.788 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)n1 ZINC001580671693 1075730113 /nfs/dbraw/zinc/73/01/13/1075730113.db2.gz PIAXROJIBMPVSN-UHFFFAOYSA-N 0 0 385.392 -1.791 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)n1 ZINC001580671987 1075730039 /nfs/dbraw/zinc/73/00/39/1075730039.db2.gz VCVFJLSCQWSBRM-UHFFFAOYSA-N 0 0 386.420 -1.954 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001580673185 1075730085 /nfs/dbraw/zinc/73/00/85/1075730085.db2.gz CGTQUQUIVSVIFA-JTQLQIEISA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001580673186 1075730207 /nfs/dbraw/zinc/73/02/07/1075730207.db2.gz CGTQUQUIVSVIFA-SNVBAGLBSA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)Cc3nc[nH]n3)C2)n1 ZINC001580673242 1075730607 /nfs/dbraw/zinc/73/06/07/1075730607.db2.gz DWZIBBLVNXOGRF-JTQLQIEISA-N 0 0 385.392 -1.353 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)Cc3nc[nH]n3)C2)n1 ZINC001580673243 1075730601 /nfs/dbraw/zinc/73/06/01/1075730601.db2.gz DWZIBBLVNXOGRF-SNVBAGLBSA-N 0 0 385.392 -1.353 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)CCCC(N)=O)n1 ZINC001580673318 1075730548 /nfs/dbraw/zinc/73/05/48/1075730548.db2.gz HZOVHYQTMNLQFE-LLVKDONJSA-N 0 0 389.420 -1.058 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)CCCC(N)=O)n1 ZINC001580673319 1075730495 /nfs/dbraw/zinc/73/04/95/1075730495.db2.gz HZOVHYQTMNLQFE-NSHDSACASA-N 0 0 389.420 -1.058 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)CCCC(N)=O)C2)n1 ZINC001580673360 1075730521 /nfs/dbraw/zinc/73/05/21/1075730521.db2.gz JRSSRVMNWZSGIB-LLVKDONJSA-N 0 0 389.420 -1.058 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)CCCC(N)=O)C2)n1 ZINC001580673361 1075730481 /nfs/dbraw/zinc/73/04/81/1075730481.db2.gz JRSSRVMNWZSGIB-NSHDSACASA-N 0 0 389.420 -1.058 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001580673392 1075730467 /nfs/dbraw/zinc/73/04/67/1075730467.db2.gz KIQCDRSAPINOAW-GXSJLCMTSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001580673393 1075730558 /nfs/dbraw/zinc/73/05/58/1075730558.db2.gz KIQCDRSAPINOAW-KOLCDFICSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001580673394 1075730580 /nfs/dbraw/zinc/73/05/80/1075730580.db2.gz KIQCDRSAPINOAW-MWLCHTKSSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001580673395 1075730592 /nfs/dbraw/zinc/73/05/92/1075730592.db2.gz KIQCDRSAPINOAW-ONGXEEELSA-N 0 0 389.376 -1.605 20 0 GAADRN 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Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001580673536 1075730777 /nfs/dbraw/zinc/73/07/77/1075730777.db2.gz OHBABNFOXZCBTE-KOLCDFICSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001580673537 1075730807 /nfs/dbraw/zinc/73/08/07/1075730807.db2.gz OHBABNFOXZCBTE-MWLCHTKSSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001580673538 1075730938 /nfs/dbraw/zinc/73/09/38/1075730938.db2.gz OHBABNFOXZCBTE-ONGXEEELSA-N 0 0 389.376 -1.605 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580673572 1075730821 /nfs/dbraw/zinc/73/08/21/1075730821.db2.gz PGUDQQGIBCBGGM-GXSJLCMTSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580673573 1075730765 /nfs/dbraw/zinc/73/07/65/1075730765.db2.gz PGUDQQGIBCBGGM-KOLCDFICSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001580673574 1075730732 /nfs/dbraw/zinc/73/07/32/1075730732.db2.gz PGUDQQGIBCBGGM-MWLCHTKSSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001580673575 1075730954 /nfs/dbraw/zinc/73/09/54/1075730954.db2.gz PGUDQQGIBCBGGM-ONGXEEELSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)Cn3cncn3)C2)n1 ZINC001580673583 1075730867 /nfs/dbraw/zinc/73/08/67/1075730867.db2.gz PPBWOSXEPLJQPL-LLVKDONJSA-N 0 0 385.392 -1.422 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)Cn3cncn3)C2)n1 ZINC001580673584 1075730918 /nfs/dbraw/zinc/73/09/18/1075730918.db2.gz PPBWOSXEPLJQPL-NSHDSACASA-N 0 0 385.392 -1.422 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001580673586 1075730744 /nfs/dbraw/zinc/73/07/44/1075730744.db2.gz PSHIWJVLNMZWGX-AXFHLTTASA-N 0 0 387.404 -1.592 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001580673587 1075730857 /nfs/dbraw/zinc/73/08/57/1075730857.db2.gz PSHIWJVLNMZWGX-MXWKQRLJSA-N 0 0 387.404 -1.592 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2COCCO2)n1 ZINC001580673720 1075730969 /nfs/dbraw/zinc/73/09/69/1075730969.db2.gz QOXUHPBEXJOZJI-AAEUAGOBSA-N 0 0 390.404 -1.298 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@H]2COCCO2)n1 ZINC001580673721 1075730791 /nfs/dbraw/zinc/73/07/91/1075730791.db2.gz QOXUHPBEXJOZJI-DGCLKSJQSA-N 0 0 390.404 -1.298 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@H]2COCCO2)n1 ZINC001580673722 1075730893 /nfs/dbraw/zinc/73/08/93/1075730893.db2.gz QOXUHPBEXJOZJI-WCQYABFASA-N 0 0 390.404 -1.298 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@@H]2COCCO2)n1 ZINC001580673723 1075730878 /nfs/dbraw/zinc/73/08/78/1075730878.db2.gz QOXUHPBEXJOZJI-YPMHNXCESA-N 0 0 390.404 -1.298 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(CCNC(=O)c3nnc[nH]3)CC2)n1 ZINC001580673740 1075730853 /nfs/dbraw/zinc/73/08/53/1075730853.db2.gz RBOOQNXEQOAYHO-UHFFFAOYSA-N 0 0 384.408 -1.365 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001580674105 1075730906 /nfs/dbraw/zinc/73/09/06/1075730906.db2.gz WWTROXBPUBHJBG-GXSJLCMTSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001580674106 1075730753 /nfs/dbraw/zinc/73/07/53/1075730753.db2.gz WWTROXBPUBHJBG-KOLCDFICSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001580674107 1075730832 /nfs/dbraw/zinc/73/08/32/1075730832.db2.gz WWTROXBPUBHJBG-MWLCHTKSSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001580674108 1075730842 /nfs/dbraw/zinc/73/08/42/1075730842.db2.gz WWTROXBPUBHJBG-ONGXEEELSA-N 0 0 388.392 -2.032 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@@H](C)CC(N)=O)n1 ZINC001580674176 1075731268 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ZZNYCZWROPALSO-UHFFFAOYSA-N 0 0 384.408 -1.365 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001580674330 1075731123 /nfs/dbraw/zinc/73/11/23/1075731123.db2.gz ASVIUFLAYTYDAD-AXFHLTTASA-N 0 0 387.404 -1.592 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001580674331 1075731152 /nfs/dbraw/zinc/73/11/52/1075731152.db2.gz ASVIUFLAYTYDAD-MXWKQRLJSA-N 0 0 387.404 -1.592 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)Cc2nc[nH]n2)n1 ZINC001580674335 1075731198 /nfs/dbraw/zinc/73/11/98/1075731198.db2.gz BVLBVVFLAOYRDK-JTQLQIEISA-N 0 0 385.392 -1.353 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)Cc2nc[nH]n2)n1 ZINC001580674336 1075731279 /nfs/dbraw/zinc/73/12/79/1075731279.db2.gz BVLBVVFLAOYRDK-SNVBAGLBSA-N 0 0 385.392 -1.353 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)c2cnnn2C)n1 ZINC001580674364 1075731115 /nfs/dbraw/zinc/73/11/15/1075731115.db2.gz FWJXBHXIWDEBRA-JTQLQIEISA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)c2cnnn2C)n1 ZINC001580674365 1075731137 /nfs/dbraw/zinc/73/11/37/1075731137.db2.gz FWJXBHXIWDEBRA-SNVBAGLBSA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001580674948 1075731207 /nfs/dbraw/zinc/73/12/07/1075731207.db2.gz RTAMBTCIVQNVSA-JTQLQIEISA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001580674949 1075731254 /nfs/dbraw/zinc/73/12/54/1075731254.db2.gz RTAMBTCIVQNVSA-SNVBAGLBSA-N 0 0 385.392 -1.271 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001580675014 1075731162 /nfs/dbraw/zinc/73/11/62/1075731162.db2.gz UQKOAGPUDJBEKE-GHMZBOCLSA-N 0 0 387.404 -1.435 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001580675273 1075731184 /nfs/dbraw/zinc/73/11/84/1075731184.db2.gz UQKOAGPUDJBEKE-WDEREUQCSA-N 0 0 387.404 -1.435 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)Cn2cncn2)n1 ZINC001580675346 1075731106 /nfs/dbraw/zinc/73/11/06/1075731106.db2.gz ZYSVAWQIOUUMOO-LLVKDONJSA-N 0 0 385.392 -1.422 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)Cn2cncn2)n1 ZINC001580675347 1075731110 /nfs/dbraw/zinc/73/11/10/1075731110.db2.gz ZYSVAWQIOUUMOO-NSHDSACASA-N 0 0 385.392 -1.422 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001580677467 1075731240 /nfs/dbraw/zinc/73/12/40/1075731240.db2.gz BPHXCXDTLDRAEB-MVWJERBFSA-N 0 0 387.404 -1.843 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001580677468 1075731127 /nfs/dbraw/zinc/73/11/27/1075731127.db2.gz BPHXCXDTLDRAEB-YUSALJHKSA-N 0 0 387.404 -1.843 20 0 GAADRN Cc1ccnn1CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580677478 1075731654 /nfs/dbraw/zinc/73/16/54/1075731654.db2.gz CAGPMBXMZPYXGT-CHWSQXEVSA-N 0 0 384.404 -1.164 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC001580677485 1075731617 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378.418 -1.439 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580685055 1075734215 /nfs/dbraw/zinc/73/42/15/1075734215.db2.gz MOAGUHAAIDWPHC-NXEZZACHSA-N 0 0 387.408 -1.134 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580685056 1075734205 /nfs/dbraw/zinc/73/42/05/1075734205.db2.gz MOAGUHAAIDWPHC-UWVGGRQHSA-N 0 0 387.408 -1.134 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580685057 1075734345 /nfs/dbraw/zinc/73/43/45/1075734345.db2.gz MOAGUHAAIDWPHC-VHSXEESVSA-N 0 0 387.408 -1.134 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580685058 1075734268 /nfs/dbraw/zinc/73/42/68/1075734268.db2.gz MOAGUHAAIDWPHC-ZJUUUORDSA-N 0 0 387.408 -1.134 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)n1 ZINC001580685548 1075734324 /nfs/dbraw/zinc/73/43/24/1075734324.db2.gz SZYMQRALSUDPLX-FOGDFJRCSA-N 0 0 382.392 -1.122 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CNC(=O)N2)C3)n1 ZINC001580685961 1075734168 /nfs/dbraw/zinc/73/41/68/1075734168.db2.gz YQRMWNBHTKSKDD-IQIPOGNMSA-N 0 0 384.404 -1.128 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CNC(=O)N2)C3)n1 ZINC001580685962 1075734190 /nfs/dbraw/zinc/73/41/90/1075734190.db2.gz YQRMWNBHTKSKDD-LSKIRQOJSA-N 0 0 384.404 -1.128 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001580690751 1075734396 /nfs/dbraw/zinc/73/43/96/1075734396.db2.gz VHUPTRSNAWTBAW-JTQLQIEISA-N 0 0 388.436 -1.296 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001580690752 1075734183 /nfs/dbraw/zinc/73/41/83/1075734183.db2.gz VHUPTRSNAWTBAW-SNVBAGLBSA-N 0 0 388.436 -1.296 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CN(C)C(=O)Cn2ncn(C)c2=O)n1 ZINC001580691295 1075734198 /nfs/dbraw/zinc/73/41/98/1075734198.db2.gz HRDROZWHWKCLRN-JTQLQIEISA-N 0 0 387.408 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CN(C)C(=O)Cn2ncn(C)c2=O)n1 ZINC001580691297 1075734784 /nfs/dbraw/zinc/73/47/84/1075734784.db2.gz HRDROZWHWKCLRN-SNVBAGLBSA-N 0 0 387.408 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CN(C)C(=O)CN2CCNC(=O)C2)n1 ZINC001580692313 1075734644 /nfs/dbraw/zinc/73/46/44/1075734644.db2.gz RVVHPVLVVZYHBR-LLVKDONJSA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CN(C)C(=O)CN2CCNC(=O)C2)n1 ZINC001580692317 1075734534 /nfs/dbraw/zinc/73/45/34/1075734534.db2.gz RVVHPVLVVZYHBR-NSHDSACASA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001580694555 1075734502 /nfs/dbraw/zinc/73/45/02/1075734502.db2.gz BXTJGNWLNAOCJU-BDAKNGLRSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001580694556 1075734764 /nfs/dbraw/zinc/73/47/64/1075734764.db2.gz BXTJGNWLNAOCJU-DTWKUNHWSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001580694557 1075734664 /nfs/dbraw/zinc/73/46/64/1075734664.db2.gz BXTJGNWLNAOCJU-IUCAKERBSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001580694558 1075734585 /nfs/dbraw/zinc/73/45/85/1075734585.db2.gz BXTJGNWLNAOCJU-RKDXNWHRSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)CCn2ncn(C)c2=O)n1 ZINC001580694763 1075734772 /nfs/dbraw/zinc/73/47/72/1075734772.db2.gz DRINOYXOZAZUKS-JTQLQIEISA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)CCn2ncn(C)c2=O)n1 ZINC001580694764 1075734751 /nfs/dbraw/zinc/73/47/51/1075734751.db2.gz DRINOYXOZAZUKS-SNVBAGLBSA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)CCNS(C)(=O)=O)n1 ZINC001580694777 1075734737 /nfs/dbraw/zinc/73/47/37/1075734737.db2.gz FBKQJUHPEWXNSU-SECBINFHSA-N 0 0 383.438 -1.179 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)CCNS(C)(=O)=O)n1 ZINC001580694778 1075734553 /nfs/dbraw/zinc/73/45/53/1075734553.db2.gz FBKQJUHPEWXNSU-VIFPVBQESA-N 0 0 383.438 -1.179 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)CN2CCOCC2=O)n1 ZINC001580695909 1075734619 /nfs/dbraw/zinc/73/46/19/1075734619.db2.gz RNYACVGZIWREQY-JTQLQIEISA-N 0 0 375.393 -1.259 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)CN2CCOCC2=O)n1 ZINC001580695910 1075734723 /nfs/dbraw/zinc/73/47/23/1075734723.db2.gz RNYACVGZIWREQY-SNVBAGLBSA-N 0 0 375.393 -1.259 20 0 GAADRN Cc1nn(CC(=O)NC[C@@H](C)Nc2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580696042 1075734698 /nfs/dbraw/zinc/73/46/98/1075734698.db2.gz SPBATWSWTPVLMY-SECBINFHSA-N 0 0 387.408 -1.214 20 0 GAADRN Cc1nn(CC(=O)NC[C@H](C)Nc2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580696043 1075734710 /nfs/dbraw/zinc/73/47/10/1075734710.db2.gz SPBATWSWTPVLMY-VIFPVBQESA-N 0 0 387.408 -1.214 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001580696673 1075734685 /nfs/dbraw/zinc/73/46/85/1075734685.db2.gz WRVMZOVBSJEDTQ-SECBINFHSA-N 0 0 383.438 -1.227 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001580696674 1075734568 /nfs/dbraw/zinc/73/45/68/1075734568.db2.gz WRVMZOVBSJEDTQ-VIFPVBQESA-N 0 0 383.438 -1.227 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001580696689 1075734518 /nfs/dbraw/zinc/73/45/18/1075734518.db2.gz XEZWUDGBHIFRDZ-LLVKDONJSA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001580696690 1075734601 /nfs/dbraw/zinc/73/46/01/1075734601.db2.gz XEZWUDGBHIFRDZ-NSHDSACASA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001580697087 1075734793 /nfs/dbraw/zinc/73/47/93/1075734793.db2.gz ZCQVJAQTRUOENJ-BDAKNGLRSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001580697089 1075735120 /nfs/dbraw/zinc/73/51/20/1075735120.db2.gz ZCQVJAQTRUOENJ-DTWKUNHWSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001580697091 1075735061 /nfs/dbraw/zinc/73/50/61/1075735061.db2.gz ZCQVJAQTRUOENJ-IUCAKERBSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001580697094 1075734975 /nfs/dbraw/zinc/73/49/75/1075734975.db2.gz ZCQVJAQTRUOENJ-RKDXNWHRSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)CN2CCOCC2)n1 ZINC001580699097 1075735012 /nfs/dbraw/zinc/73/50/12/1075735012.db2.gz ADQAIKDTOOVPMI-LLVKDONJSA-N 0 0 377.409 -1.814 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)CN2CCOCC2)n1 ZINC001580699100 1075735070 /nfs/dbraw/zinc/73/50/70/1075735070.db2.gz ADQAIKDTOOVPMI-NSHDSACASA-N 0 0 377.409 -1.814 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)Cn2ccccc2=O)n1 ZINC001580699138 1075735101 /nfs/dbraw/zinc/73/51/01/1075735101.db2.gz ASJYDNLKXRUCRF-LLVKDONJSA-N 0 0 385.388 -1.284 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)Cn2ccccc2=O)n1 ZINC001580699139 1075734959 /nfs/dbraw/zinc/73/49/59/1075734959.db2.gz ASJYDNLKXRUCRF-NSHDSACASA-N 0 0 385.388 -1.284 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)c2cccc(=O)n2C)n1 ZINC001580699158 1075734933 /nfs/dbraw/zinc/73/49/33/1075734933.db2.gz BCWHYIRVNDNBMM-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)c2cccc(=O)n2C)n1 ZINC001580699159 1075734943 /nfs/dbraw/zinc/73/49/43/1075734943.db2.gz BCWHYIRVNDNBMM-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCN(C)C(=O)C2)n1 ZINC001580699325 1075735038 /nfs/dbraw/zinc/73/50/38/1075735038.db2.gz CQSVNSYQFRDJEN-GHMZBOCLSA-N 0 0 389.420 -1.277 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@@H]2CCN(C)C(=O)C2)n1 ZINC001580699326 1075735107 /nfs/dbraw/zinc/73/51/07/1075735107.db2.gz CQSVNSYQFRDJEN-MNOVXSKESA-N 0 0 389.420 -1.277 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@H]2CCN(C)C(=O)C2)n1 ZINC001580699327 1075735136 /nfs/dbraw/zinc/73/51/36/1075735136.db2.gz CQSVNSYQFRDJEN-QWRGUYRKSA-N 0 0 389.420 -1.277 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@H]2CCN(C)C(=O)C2)n1 ZINC001580699328 1075735079 /nfs/dbraw/zinc/73/50/79/1075735079.db2.gz CQSVNSYQFRDJEN-WDEREUQCSA-N 0 0 389.420 -1.277 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001580699571 1075735025 /nfs/dbraw/zinc/73/50/25/1075735025.db2.gz GPYVWXCOWLFXPI-GXSJLCMTSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001580699572 1075735113 /nfs/dbraw/zinc/73/51/13/1075735113.db2.gz GPYVWXCOWLFXPI-MWLCHTKSSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001580699787 1075734916 /nfs/dbraw/zinc/73/49/16/1075734916.db2.gz IMZJUXHUOUUUQT-GHMZBOCLSA-N 0 0 389.420 -1.277 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001580699788 1075735127 /nfs/dbraw/zinc/73/51/27/1075735127.db2.gz 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MFRDFVVNPXJUEZ-SECBINFHSA-N 0 0 386.376 -1.243 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)c2cc3n(n2)CCO3)n1 ZINC001580728888 1075737866 /nfs/dbraw/zinc/73/78/66/1075737866.db2.gz MFRDFVVNPXJUEZ-VIFPVBQESA-N 0 0 386.376 -1.243 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)n1 ZINC001580728955 1075737781 /nfs/dbraw/zinc/73/77/81/1075737781.db2.gz NIELZEHMCUGMDC-GHMZBOCLSA-N 0 0 378.393 -1.340 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)n1 ZINC001580728956 1075737851 /nfs/dbraw/zinc/73/78/51/1075737851.db2.gz NIELZEHMCUGMDC-MNOVXSKESA-N 0 0 378.393 -1.340 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)n1 ZINC001580728957 1075737836 /nfs/dbraw/zinc/73/78/36/1075737836.db2.gz NIELZEHMCUGMDC-QWRGUYRKSA-N 0 0 378.393 -1.340 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)n1 ZINC001580728958 1075737878 /nfs/dbraw/zinc/73/78/78/1075737878.db2.gz NIELZEHMCUGMDC-WDEREUQCSA-N 0 0 378.393 -1.340 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)Cn2ccccc2=O)n1 ZINC001580729163 1075737817 /nfs/dbraw/zinc/73/78/17/1075737817.db2.gz QHYFIBWTAKVDPW-LLVKDONJSA-N 0 0 385.388 -1.284 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)Cn2ccccc2=O)n1 ZINC001580729164 1075737714 /nfs/dbraw/zinc/73/77/14/1075737714.db2.gz QHYFIBWTAKVDPW-NSHDSACASA-N 0 0 385.388 -1.284 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001580729197 1075737666 /nfs/dbraw/zinc/73/76/66/1075737666.db2.gz REIICBKRWFETHJ-JTQLQIEISA-N 0 0 375.393 -1.523 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001580729198 1075737800 /nfs/dbraw/zinc/73/78/00/1075737800.db2.gz REIICBKRWFETHJ-SNVBAGLBSA-N 0 0 375.393 -1.523 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001580729309 1075737737 /nfs/dbraw/zinc/73/77/37/1075737737.db2.gz RINKJLQHVHGEOE-LLVKDONJSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001580729310 1075737750 /nfs/dbraw/zinc/73/77/50/1075737750.db2.gz RINKJLQHVHGEOE-NSHDSACASA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001580729505 1075737907 /nfs/dbraw/zinc/73/79/07/1075737907.db2.gz UZGTXOCZPZXOSO-LLVKDONJSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001580729506 1075737698 /nfs/dbraw/zinc/73/76/98/1075737698.db2.gz UZGTXOCZPZXOSO-NSHDSACASA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001580729543 1075737684 /nfs/dbraw/zinc/73/76/84/1075737684.db2.gz VRPKCEKKHZIBLN-GXSJLCMTSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001580729544 1075737891 /nfs/dbraw/zinc/73/78/91/1075737891.db2.gz VRPKCEKKHZIBLN-KOLCDFICSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001580729545 1075737919 /nfs/dbraw/zinc/73/79/19/1075737919.db2.gz VRPKCEKKHZIBLN-MWLCHTKSSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001580729546 1075737727 /nfs/dbraw/zinc/73/77/27/1075737727.db2.gz VRPKCEKKHZIBLN-ONGXEEELSA-N 0 0 375.393 -1.525 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)CN2CCCCC2=O)n1 ZINC001580729916 1075738049 /nfs/dbraw/zinc/73/80/49/1075738049.db2.gz ZOLOPQYAHOMDBG-LLVKDONJSA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)CN2CCCCC2=O)n1 ZINC001580729917 1075738063 /nfs/dbraw/zinc/73/80/63/1075738063.db2.gz ZOLOPQYAHOMDBG-NSHDSACASA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC001580738667 1075738186 /nfs/dbraw/zinc/73/81/86/1075738186.db2.gz HGPNHDRQBYOUHK-GHMZBOCLSA-N 0 0 387.404 -1.117 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC001580738668 1075738034 /nfs/dbraw/zinc/73/80/34/1075738034.db2.gz HGPNHDRQBYOUHK-MNOVXSKESA-N 0 0 387.404 -1.117 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC001580738669 1075738156 /nfs/dbraw/zinc/73/81/56/1075738156.db2.gz HGPNHDRQBYOUHK-QWRGUYRKSA-N 0 0 387.404 -1.117 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC001580738670 1075738131 /nfs/dbraw/zinc/73/81/31/1075738131.db2.gz HGPNHDRQBYOUHK-WDEREUQCSA-N 0 0 387.404 -1.117 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCC[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580738750 1075738223 /nfs/dbraw/zinc/73/82/23/1075738223.db2.gz AVQXXKOZCXQSSB-SECBINFHSA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCC[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001580738751 1075738021 /nfs/dbraw/zinc/73/80/21/1075738021.db2.gz AVQXXKOZCXQSSB-VIFPVBQESA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001580738989 1075738119 /nfs/dbraw/zinc/73/81/19/1075738119.db2.gz IUETXANRALHPQM-GXSJLCMTSA-N 0 0 388.392 -1.714 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001580738990 1075738142 /nfs/dbraw/zinc/73/81/42/1075738142.db2.gz IUETXANRALHPQM-KOLCDFICSA-N 0 0 388.392 -1.714 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001580738991 1075738195 /nfs/dbraw/zinc/73/81/95/1075738195.db2.gz IUETXANRALHPQM-MWLCHTKSSA-N 0 0 388.392 -1.714 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001580738992 1075738165 /nfs/dbraw/zinc/73/81/65/1075738165.db2.gz IUETXANRALHPQM-ONGXEEELSA-N 0 0 388.392 -1.714 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001580739404 1075738233 /nfs/dbraw/zinc/73/82/33/1075738233.db2.gz MMLDWJLYCGGKIB-AXFHLTTASA-N 0 0 387.404 -1.274 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001580739405 1075738214 /nfs/dbraw/zinc/73/82/14/1075738214.db2.gz MMLDWJLYCGGKIB-MXWKQRLJSA-N 0 0 387.404 -1.274 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)n1 ZINC001580740558 1075738104 /nfs/dbraw/zinc/73/81/04/1075738104.db2.gz XXUVMMRGEXLDQR-GXSJLCMTSA-N 0 0 389.376 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)n1 ZINC001580740559 1075738079 /nfs/dbraw/zinc/73/80/79/1075738079.db2.gz XXUVMMRGEXLDQR-KOLCDFICSA-N 0 0 389.376 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)n1 ZINC001580740560 1075738092 /nfs/dbraw/zinc/73/80/92/1075738092.db2.gz XXUVMMRGEXLDQR-MWLCHTKSSA-N 0 0 389.376 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)n1 ZINC001580740561 1075738175 /nfs/dbraw/zinc/73/81/75/1075738175.db2.gz XXUVMMRGEXLDQR-ONGXEEELSA-N 0 0 389.376 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC/C=C\CNC(=O)CN2CCOCC2=O)n1 ZINC001580740661 1075738205 /nfs/dbraw/zinc/73/82/05/1075738205.db2.gz ZXLXBKWNWULMTA-IHWYPQMZSA-N 0 0 387.404 -1.092 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC/C=C/CNC(=O)CN2CCOCC2=O)n1 ZINC001580740662 1075738245 /nfs/dbraw/zinc/73/82/45/1075738245.db2.gz ZXLXBKWNWULMTA-NSCUHMNNSA-N 0 0 387.404 -1.092 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCC[C@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001580740704 1075738515 /nfs/dbraw/zinc/73/85/15/1075738515.db2.gz IYEQNXKAEKLSCO-JTQLQIEISA-N 0 0 388.436 -1.296 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCC[C@@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001580740705 1075738610 /nfs/dbraw/zinc/73/86/10/1075738610.db2.gz IYEQNXKAEKLSCO-SNVBAGLBSA-N 0 0 388.436 -1.296 20 0 GAADRN Cc1nn(CC(=O)NCCCNc2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580740920 1075738487 /nfs/dbraw/zinc/73/84/87/1075738487.db2.gz FKAMILMTTVALSB-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001580742101 1075738450 /nfs/dbraw/zinc/73/84/50/1075738450.db2.gz VXIIMGRZDPTFSO-SECBINFHSA-N 0 0 383.438 -1.227 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001580742102 1075738476 /nfs/dbraw/zinc/73/84/76/1075738476.db2.gz VXIIMGRZDPTFSO-VIFPVBQESA-N 0 0 383.438 -1.227 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001580744431 1075738595 /nfs/dbraw/zinc/73/85/95/1075738595.db2.gz AADOZUXBGUZFCL-UHFFFAOYSA-N 0 0 386.376 -1.051 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)c2c[nH]c(=O)n2C)n1 ZINC001580744482 1075738564 /nfs/dbraw/zinc/73/85/64/1075738564.db2.gz CCEVXSBZCWRRDV-UHFFFAOYSA-N 0 0 388.392 -1.049 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)CCn2cncn2)n1 ZINC001580744511 1075738459 /nfs/dbraw/zinc/73/84/59/1075738459.db2.gz DSWFIQCUBQWLJJ-UHFFFAOYSA-N 0 0 387.408 -1.120 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001580744548 1075738502 /nfs/dbraw/zinc/73/85/02/1075738502.db2.gz GGMNOWQMEKYQCP-JTQLQIEISA-N 0 0 375.393 -1.523 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001580744549 1075738521 /nfs/dbraw/zinc/73/85/21/1075738521.db2.gz GGMNOWQMEKYQCP-SNVBAGLBSA-N 0 0 375.393 -1.523 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)C[C@H]2CCNC2=O)n1 ZINC001580744551 1075738551 /nfs/dbraw/zinc/73/85/51/1075738551.db2.gz GLBVZXZZGICLPH-LLVKDONJSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)C[C@@H]2CCNC2=O)n1 ZINC001580744552 1075738556 /nfs/dbraw/zinc/73/85/56/1075738556.db2.gz GLBVZXZZGICLPH-NSHDSACASA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2CCC(=O)N2C)n1 ZINC001580744565 1075738602 /nfs/dbraw/zinc/73/86/02/1075738602.db2.gz GUVMOXBPMJUKFE-GFCCVEGCSA-N 0 0 389.420 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001580744566 1075738589 /nfs/dbraw/zinc/73/85/89/1075738589.db2.gz GUVMOXBPMJUKFE-LBPRGKRZSA-N 0 0 389.420 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001580744629 1075738583 /nfs/dbraw/zinc/73/85/83/1075738583.db2.gz ISNYOURONBKJPQ-LLVKDONJSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2CCNC(=O)C2)n1 ZINC001580744630 1075738537 /nfs/dbraw/zinc/73/85/37/1075738537.db2.gz ISNYOURONBKJPQ-NSHDSACASA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001580744650 1075738577 /nfs/dbraw/zinc/73/85/77/1075738577.db2.gz KATCHHLFCGORFW-LLVKDONJSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2CCC(=O)NC2)n1 ZINC001580744651 1075738544 /nfs/dbraw/zinc/73/85/44/1075738544.db2.gz KATCHHLFCGORFW-NSHDSACASA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)C[C@H]2CCC(=O)N2)n1 ZINC001580744689 1075738571 /nfs/dbraw/zinc/73/85/71/1075738571.db2.gz LATYIISHPFTLQJ-LLVKDONJSA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001580744690 1075738531 /nfs/dbraw/zinc/73/85/31/1075738531.db2.gz LATYIISHPFTLQJ-NSHDSACASA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2COCCO2)n1 ZINC001580744716 1075738924 /nfs/dbraw/zinc/73/89/24/1075738924.db2.gz MGCWWAZFYPFCDK-GFCCVEGCSA-N 0 0 378.393 -1.387 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@H]2COCCO2)n1 ZINC001580744717 1075738789 /nfs/dbraw/zinc/73/87/89/1075738789.db2.gz MGCWWAZFYPFCDK-LBPRGKRZSA-N 0 0 378.393 -1.387 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)CNC(=O)C2CC2)n1 ZINC001580744752 1075738917 /nfs/dbraw/zinc/73/89/17/1075738917.db2.gz NDIMYNGEBXLLTO-UHFFFAOYSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001580744765 1075738803 /nfs/dbraw/zinc/73/88/03/1075738803.db2.gz NPYLBSIAUPTCGG-INIZCTEOSA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@@]2(C)CCNC2=O)n1 ZINC001580744785 1075738946 /nfs/dbraw/zinc/73/89/46/1075738946.db2.gz OHWSZTNMDVHISJ-INIZCTEOSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@]2(C)CCNC2=O)n1 ZINC001580744786 1075738829 /nfs/dbraw/zinc/73/88/29/1075738829.db2.gz OHWSZTNMDVHISJ-MRXNPFEDSA-N 0 0 389.420 -1.276 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)CCn2ccnn2)n1 ZINC001580744875 1075738908 /nfs/dbraw/zinc/73/89/08/1075738908.db2.gz QKLAVHIXPJPSAH-UHFFFAOYSA-N 0 0 387.408 -1.120 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)[C@H]2CCCC(=O)N2)n1 ZINC001580744921 1075738872 /nfs/dbraw/zinc/73/88/72/1075738872.db2.gz ROHNEVAWILPSMP-LLVKDONJSA-N 0 0 389.420 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(CCO)C(=O)CS(C)(=O)=O)n1 ZINC001580745176 1075738931 /nfs/dbraw/zinc/73/89/31/1075738931.db2.gz YMPNKEMDXSYNRN-UHFFFAOYSA-N 0 0 384.422 -1.757 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)CN(C)S(C)(=O)=O)n1 ZINC001580745274 1075738818 /nfs/dbraw/zinc/73/88/18/1075738818.db2.gz BIGGDURBGQLIEL-UHFFFAOYSA-N 0 0 383.438 -1.273 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)CCNS(C)(=O)=O)n1 ZINC001580745485 1075738855 /nfs/dbraw/zinc/73/88/55/1075738855.db2.gz GMKFAVHPGUNXOH-UHFFFAOYSA-N 0 0 383.438 -1.225 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)CS(=O)(=O)N(C)C)n1 ZINC001580745639 1075738889 /nfs/dbraw/zinc/73/88/89/1075738889.db2.gz JPSAAJJDANAMAN-UHFFFAOYSA-N 0 0 383.438 -1.273 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001580745812 1075738897 /nfs/dbraw/zinc/73/88/97/1075738897.db2.gz LUFNQSCRVFFEJA-WDEREUQCSA-N 0 0 375.393 -1.132 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)CN2CCOCC2=O)n1 ZINC001580745839 1075738847 /nfs/dbraw/zinc/73/88/47/1075738847.db2.gz MLXGPALIYXTJDI-UHFFFAOYSA-N 0 0 375.393 -1.306 20 0 GAADRN Cc1c(C(=O)N(CCO)CCNc2nc(C)cc(-c3nn[nH]n3)n2)nnn1C ZINC001580746000 1075738838 /nfs/dbraw/zinc/73/88/38/1075738838.db2.gz AJGBLBQWPFAFCA-UHFFFAOYSA-N 0 0 387.408 -1.051 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)CCn2ncn(C)c2=O)n1 ZINC001580746106 1075738881 /nfs/dbraw/zinc/73/88/81/1075738881.db2.gz SYYWRLRESNNITD-UHFFFAOYSA-N 0 0 387.408 -1.179 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001580746222 1075738864 /nfs/dbraw/zinc/73/88/64/1075738864.db2.gz FWFFUDJBLVGANH-BDAKNGLRSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001580746225 1075738938 /nfs/dbraw/zinc/73/89/38/1075738938.db2.gz FWFFUDJBLVGANH-RKDXNWHRSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001580746265 1075738771 /nfs/dbraw/zinc/73/87/71/1075738771.db2.gz XXAYLHZOQJFHBJ-UHFFFAOYSA-N 0 0 386.376 -1.202 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NCCOCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001580747337 1075739219 /nfs/dbraw/zinc/73/92/19/1075739219.db2.gz WYQVGJLRCXNGKS-MNOVXSKESA-N 0 0 389.420 -1.027 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001580747522 1075739275 /nfs/dbraw/zinc/73/92/75/1075739275.db2.gz ZXBZLDKFSFSPBL-BDAKNGLRSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001580747523 1075739231 /nfs/dbraw/zinc/73/92/31/1075739231.db2.gz ZXBZLDKFSFSPBL-RKDXNWHRSA-N 0 0 383.438 -1.181 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)n1 ZINC001580748483 1075739289 /nfs/dbraw/zinc/73/92/89/1075739289.db2.gz ASTBTIHFLQQHGP-SECBINFHSA-N 0 0 383.438 -1.227 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001580748591 1075739208 /nfs/dbraw/zinc/73/92/08/1075739208.db2.gz GSINOCPKNUUXEB-SNVBAGLBSA-N 0 0 375.393 -1.259 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)CCn2ncn(C)c2=O)n1 ZINC001580748690 1075739201 /nfs/dbraw/zinc/73/92/01/1075739201.db2.gz MMPXITRYWBVFMK-SNVBAGLBSA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](C)NC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001580748722 1075739173 /nfs/dbraw/zinc/73/91/73/1075739173.db2.gz NRXNMSBQRJWIAT-LLVKDONJSA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1nn(CC(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580748749 1075739294 /nfs/dbraw/zinc/73/92/94/1075739294.db2.gz OWCZCCOLDVSUSA-SECBINFHSA-N 0 0 387.408 -1.214 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001580749941 1075739269 /nfs/dbraw/zinc/73/92/69/1075739269.db2.gz FWFFUDJBLVGANH-DTWKUNHWSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001580749942 1075739192 /nfs/dbraw/zinc/73/91/92/1075739192.db2.gz FWFFUDJBLVGANH-IUCAKERBSA-N 0 0 381.422 -1.427 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001580749974 1075739263 /nfs/dbraw/zinc/73/92/63/1075739263.db2.gz GSINOCPKNUUXEB-JTQLQIEISA-N 0 0 375.393 -1.259 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](C)NC(=O)CCNS(C)(=O)=O)n1 ZINC001580750040 1075739239 /nfs/dbraw/zinc/73/92/39/1075739239.db2.gz JFZYJYBCIUIQBP-VIFPVBQESA-N 0 0 383.438 -1.179 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(NC[C@H](C)NC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001580750240 1075739160 /nfs/dbraw/zinc/73/91/60/1075739160.db2.gz NRXNMSBQRJWIAT-NSHDSACASA-N 0 0 388.436 -1.344 20 0 GAADRN Cc1nn(CC(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001580750290 1075739247 /nfs/dbraw/zinc/73/92/47/1075739247.db2.gz OWCZCCOLDVSUSA-VIFPVBQESA-N 0 0 387.408 -1.214 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001580753470 1075739282 /nfs/dbraw/zinc/73/92/82/1075739282.db2.gz OVFSRKAVCAHUBD-VIFPVBQESA-N 0 0 387.408 -1.133 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001580758158 1075739301 /nfs/dbraw/zinc/73/93/01/1075739301.db2.gz CPQAEEHKCDBRGT-AOOOYVTPSA-N 0 0 385.392 -1.380 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001580758430 1075739320 /nfs/dbraw/zinc/73/93/20/1075739320.db2.gz NYJBHUQRGHEIAR-PHIMTYICSA-N 0 0 387.404 -1.117 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001580758795 1075739184 /nfs/dbraw/zinc/73/91/84/1075739184.db2.gz ZDRQRQIXTHCXCM-PHIMTYICSA-N 0 0 386.420 -1.544 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001580761141 1075739309 /nfs/dbraw/zinc/73/93/09/1075739309.db2.gz CPQAEEHKCDBRGT-MGCOHNPYSA-N 0 0 385.392 -1.380 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)cn1C ZINC001580764877 1075739578 /nfs/dbraw/zinc/73/95/78/1075739578.db2.gz MPJQMDGCRIXHSS-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)cn1C ZINC001580764878 1075739648 /nfs/dbraw/zinc/73/96/48/1075739648.db2.gz MPJQMDGCRIXHSS-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)c[nH]1 ZINC001580765668 1075739575 /nfs/dbraw/zinc/73/95/75/1075739575.db2.gz BJJKAWIOXJXYFZ-YPMHNXCESA-N 0 0 383.372 -1.367 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)cn1C ZINC001580765681 1075739587 /nfs/dbraw/zinc/73/95/87/1075739587.db2.gz BYFYZPJHIVWZHD-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)cn1C ZINC001580765682 1075739607 /nfs/dbraw/zinc/73/96/07/1075739607.db2.gz BYFYZPJHIVWZHD-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)cn1C ZINC001580765747 1075739571 /nfs/dbraw/zinc/73/95/71/1075739571.db2.gz DXAIYVKLNHYIJV-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)cn1C ZINC001580765750 1075739619 /nfs/dbraw/zinc/73/96/19/1075739619.db2.gz DXAIYVKLNHYIJV-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)cn1C ZINC001580765918 1075739598 /nfs/dbraw/zinc/73/95/98/1075739598.db2.gz HAWUMSOFYGWTAH-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)cn1C ZINC001580765919 1075739564 /nfs/dbraw/zinc/73/95/64/1075739564.db2.gz HAWUMSOFYGWTAH-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)cn1C ZINC001580765941 1075739626 /nfs/dbraw/zinc/73/96/26/1075739626.db2.gz HZTHGLIGNXZOMV-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1cc(=O)c(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)cn1C ZINC001580765942 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Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)CN2CCOCC2=O)n1 ZINC001581096190 1075754546 /nfs/dbraw/zinc/75/45/46/1075754546.db2.gz MROUAYNMYBSPDM-NSHDSACASA-N 0 0 390.404 -1.682 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001581096261 1075754467 /nfs/dbraw/zinc/75/44/67/1075754467.db2.gz OLTNUXUCLZHPTO-JTQLQIEISA-N 0 0 388.392 -1.945 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001581096262 1075754535 /nfs/dbraw/zinc/75/45/35/1075754535.db2.gz OLTNUXUCLZHPTO-SNVBAGLBSA-N 0 0 388.392 -1.945 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001581096419 1075754415 /nfs/dbraw/zinc/75/44/15/1075754415.db2.gz RPJPYJBRCMNZCC-AAEUAGOBSA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001581096420 1075754495 /nfs/dbraw/zinc/75/44/95/1075754495.db2.gz RPJPYJBRCMNZCC-DGCLKSJQSA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001581096421 1075754368 /nfs/dbraw/zinc/75/43/68/1075754368.db2.gz RPJPYJBRCMNZCC-WCQYABFASA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001581096422 1075754520 /nfs/dbraw/zinc/75/45/20/1075754520.db2.gz RPJPYJBRCMNZCC-YPMHNXCESA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)CCS(C)(=O)=O)n1 ZINC001581096493 1075754562 /nfs/dbraw/zinc/75/45/62/1075754562.db2.gz UEDULTWSIZBBBG-JTQLQIEISA-N 0 0 383.434 -1.106 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)CCS(C)(=O)=O)n1 ZINC001581096494 1075754569 /nfs/dbraw/zinc/75/45/69/1075754569.db2.gz UEDULTWSIZBBBG-SNVBAGLBSA-N 0 0 383.434 -1.106 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)CN2CCCNC2=O)n1 ZINC001581096495 1075754397 /nfs/dbraw/zinc/75/43/97/1075754397.db2.gz UEOQFEHSWVELPK-LLVKDONJSA-N 0 0 389.420 -1.126 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)CN2CCCNC2=O)n1 ZINC001581096496 1075754553 /nfs/dbraw/zinc/75/45/53/1075754553.db2.gz UEOQFEHSWVELPK-NSHDSACASA-N 0 0 389.420 -1.126 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001581096631 1075754559 /nfs/dbraw/zinc/75/45/59/1075754559.db2.gz WPOYKIAWTRDKJN-NXEZZACHSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001581096632 1075754529 /nfs/dbraw/zinc/75/45/29/1075754529.db2.gz WPOYKIAWTRDKJN-UWVGGRQHSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001581096633 1075754439 /nfs/dbraw/zinc/75/44/39/1075754439.db2.gz WPOYKIAWTRDKJN-VHSXEESVSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001581096634 1075754513 /nfs/dbraw/zinc/75/45/13/1075754513.db2.gz WPOYKIAWTRDKJN-ZJUUUORDSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001581096771 1075754452 /nfs/dbraw/zinc/75/44/52/1075754452.db2.gz ZTAXYWTVJVBHAK-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001581096772 1075754347 /nfs/dbraw/zinc/75/43/47/1075754347.db2.gz ZTAXYWTVJVBHAK-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)CN2C(=O)CCC2=O)n1 ZINC001581096775 1075754775 /nfs/dbraw/zinc/75/47/75/1075754775.db2.gz ZTQHBHUNEQLQRG-JTQLQIEISA-N 0 0 388.388 -1.392 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)CN2C(=O)CCC2=O)n1 ZINC001581096776 1075754844 /nfs/dbraw/zinc/75/48/44/1075754844.db2.gz ZTQHBHUNEQLQRG-SNVBAGLBSA-N 0 0 388.388 -1.392 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@H](CO)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001581097100 1075754849 /nfs/dbraw/zinc/75/48/49/1075754849.db2.gz IFSJXFWNYQBBID-JTQLQIEISA-N 0 0 387.404 -1.190 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](CO)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001581097103 1075754901 /nfs/dbraw/zinc/75/49/01/1075754901.db2.gz IFSJXFWNYQBBID-SNVBAGLBSA-N 0 0 387.404 -1.190 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001581111735 1075754888 /nfs/dbraw/zinc/75/48/88/1075754888.db2.gz DCMLDDJSAKLLKX-CMPLNLGQSA-N 0 0 389.420 -1.175 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001581111736 1075754795 /nfs/dbraw/zinc/75/47/95/1075754795.db2.gz DCMLDDJSAKLLKX-JQWIXIFHSA-N 0 0 389.420 -1.175 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001581111737 1075754880 /nfs/dbraw/zinc/75/48/80/1075754880.db2.gz DCMLDDJSAKLLKX-PWSUYJOCSA-N 0 0 389.420 -1.175 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001581111738 1075754813 /nfs/dbraw/zinc/75/48/13/1075754813.db2.gz DCMLDDJSAKLLKX-ZYHUDNBSSA-N 0 0 389.420 -1.175 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001581112641 1075754753 /nfs/dbraw/zinc/75/47/53/1075754753.db2.gz SGZURBFGUPDONY-NXEZZACHSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001581112642 1075754865 /nfs/dbraw/zinc/75/48/65/1075754865.db2.gz SGZURBFGUPDONY-UWVGGRQHSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC001581112644 1075754872 /nfs/dbraw/zinc/75/48/72/1075754872.db2.gz SGZURBFGUPDONY-VHSXEESVSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC001581112645 1075754937 /nfs/dbraw/zinc/75/49/37/1075754937.db2.gz SGZURBFGUPDONY-ZJUUUORDSA-N 0 0 383.434 -1.108 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)CS(C)(=O)=O)n1 ZINC001581113013 1075754857 /nfs/dbraw/zinc/75/48/57/1075754857.db2.gz WBHVGPGSUBANSZ-JTQLQIEISA-N 0 0 383.434 -1.154 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)n1 ZINC001581113015 1075754943 /nfs/dbraw/zinc/75/49/43/1075754943.db2.gz WBHVGPGSUBANSZ-SNVBAGLBSA-N 0 0 383.434 -1.154 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001581113071 1075754924 /nfs/dbraw/zinc/75/49/24/1075754924.db2.gz XBXMSIMRZYTHHB-GXSJLCMTSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001581113072 1075754894 /nfs/dbraw/zinc/75/48/94/1075754894.db2.gz XBXMSIMRZYTHHB-KOLCDFICSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001581113074 1075754832 /nfs/dbraw/zinc/75/48/32/1075754832.db2.gz XBXMSIMRZYTHHB-MWLCHTKSSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001581113076 1075754930 /nfs/dbraw/zinc/75/49/30/1075754930.db2.gz XBXMSIMRZYTHHB-ONGXEEELSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001581113077 1075754907 /nfs/dbraw/zinc/75/49/07/1075754907.db2.gz XCGZTUISONKBIM-GXSJLCMTSA-N 0 0 376.377 -1.090 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001581113078 1075754915 /nfs/dbraw/zinc/75/49/15/1075754915.db2.gz XCGZTUISONKBIM-KOLCDFICSA-N 0 0 376.377 -1.090 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001581113079 1075755188 /nfs/dbraw/zinc/75/51/88/1075755188.db2.gz XCGZTUISONKBIM-MWLCHTKSSA-N 0 0 376.377 -1.090 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001581113080 1075755170 /nfs/dbraw/zinc/75/51/70/1075755170.db2.gz XCGZTUISONKBIM-ONGXEEELSA-N 0 0 376.377 -1.090 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN(C)C(=O)CCn2cnnn2)n1 ZINC001581113171 1075755198 /nfs/dbraw/zinc/75/51/98/1075755198.db2.gz XVOIMHUXIBWRRQ-LLVKDONJSA-N 0 0 387.408 -1.122 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN(C)C(=O)CCn2cnnn2)n1 ZINC001581113173 1075755238 /nfs/dbraw/zinc/75/52/38/1075755238.db2.gz XVOIMHUXIBWRRQ-NSHDSACASA-N 0 0 387.408 -1.122 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001581114049 1075755114 /nfs/dbraw/zinc/75/51/14/1075755114.db2.gz DUNFNCMZQOWEFK-JTQLQIEISA-N 0 0 383.434 -1.106 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001581114050 1075755161 /nfs/dbraw/zinc/75/51/61/1075755161.db2.gz DUNFNCMZQOWEFK-SNVBAGLBSA-N 0 0 383.434 -1.106 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001581114391 1075755261 /nfs/dbraw/zinc/75/52/61/1075755261.db2.gz IAQSCVVPPCHLLA-JTQLQIEISA-N 0 0 388.392 -1.945 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001581114392 1075755286 /nfs/dbraw/zinc/75/52/86/1075755286.db2.gz IAQSCVVPPCHLLA-SNVBAGLBSA-N 0 0 388.392 -1.945 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)CN2CCCNC2=O)n1 ZINC001581114399 1075755180 /nfs/dbraw/zinc/75/51/80/1075755180.db2.gz ICDKGMZSDYKFSP-LLVKDONJSA-N 0 0 389.420 -1.126 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)CN2CCCNC2=O)n1 ZINC001581114400 1075755310 /nfs/dbraw/zinc/75/53/10/1075755310.db2.gz ICDKGMZSDYKFSP-NSHDSACASA-N 0 0 389.420 -1.126 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001581114701 1075755220 /nfs/dbraw/zinc/75/52/20/1075755220.db2.gz LSXKNSUYUAVMRF-AAEUAGOBSA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001581114702 1075755208 /nfs/dbraw/zinc/75/52/08/1075755208.db2.gz LSXKNSUYUAVMRF-DGCLKSJQSA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001581114703 1075755137 /nfs/dbraw/zinc/75/51/37/1075755137.db2.gz LSXKNSUYUAVMRF-WCQYABFASA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001581114704 1075755090 /nfs/dbraw/zinc/75/50/90/1075755090.db2.gz LSXKNSUYUAVMRF-YPMHNXCESA-N 0 0 376.421 -1.210 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001581114709 1075755126 /nfs/dbraw/zinc/75/51/26/1075755126.db2.gz LUXIUTXUNQGIPV-GFCCVEGCSA-N 0 0 376.421 -1.209 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001581114710 1075755249 /nfs/dbraw/zinc/75/52/49/1075755249.db2.gz LUXIUTXUNQGIPV-LBPRGKRZSA-N 0 0 376.421 -1.209 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001581114751 1075755274 /nfs/dbraw/zinc/75/52/74/1075755274.db2.gz MOUVCCHSKJDYER-JTQLQIEISA-N 0 0 381.418 -1.496 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001581114752 1075755151 /nfs/dbraw/zinc/75/51/51/1075755151.db2.gz MOUVCCHSKJDYER-SNVBAGLBSA-N 0 0 381.418 -1.496 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001581114795 1075755295 /nfs/dbraw/zinc/75/52/95/1075755295.db2.gz NPCLLTXVUJVASP-LLVKDONJSA-N 0 0 389.420 -2.109 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001581114796 1075755107 /nfs/dbraw/zinc/75/51/07/1075755107.db2.gz NPCLLTXVUJVASP-NSHDSACASA-N 0 0 389.420 -2.109 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001581114867 1075755516 /nfs/dbraw/zinc/75/55/16/1075755516.db2.gz PCFFHVVNYXDKBL-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001581114868 1075755540 /nfs/dbraw/zinc/75/55/40/1075755540.db2.gz PCFFHVVNYXDKBL-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001581114907 1075755492 /nfs/dbraw/zinc/75/54/92/1075755492.db2.gz QFIDPIULNCJYDA-JTQLQIEISA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001581114908 1075755519 /nfs/dbraw/zinc/75/55/19/1075755519.db2.gz QFIDPIULNCJYDA-SNVBAGLBSA-N 0 0 385.388 -1.133 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)CN2CCOCC2=O)n1 ZINC001581114969 1075755510 /nfs/dbraw/zinc/75/55/10/1075755510.db2.gz ROCVMXXWCWNQRR-LLVKDONJSA-N 0 0 390.404 -1.682 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)CN2CCOCC2=O)n1 ZINC001581114970 1075755495 /nfs/dbraw/zinc/75/54/95/1075755495.db2.gz ROCVMXXWCWNQRR-NSHDSACASA-N 0 0 390.404 -1.682 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001581115067 1075755583 /nfs/dbraw/zinc/75/55/83/1075755583.db2.gz UCNHVAAJDUMTMT-JTQLQIEISA-N 0 0 387.404 -1.190 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001581115068 1075755570 /nfs/dbraw/zinc/75/55/70/1075755570.db2.gz UCNHVAAJDUMTMT-SNVBAGLBSA-N 0 0 387.404 -1.190 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001581115113 1075755513 /nfs/dbraw/zinc/75/55/13/1075755513.db2.gz VCBAKXKCRKHYGW-GXSJLCMTSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001581115114 1075755507 /nfs/dbraw/zinc/75/55/07/1075755507.db2.gz VCBAKXKCRKHYGW-KOLCDFICSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001581115115 1075755527 /nfs/dbraw/zinc/75/55/27/1075755527.db2.gz VCBAKXKCRKHYGW-MWLCHTKSSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001581115116 1075755504 /nfs/dbraw/zinc/75/55/04/1075755504.db2.gz VCBAKXKCRKHYGW-ONGXEEELSA-N 0 0 375.393 -1.517 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001581118674 1075755554 /nfs/dbraw/zinc/75/55/54/1075755554.db2.gz HCKUKWQHURQHGS-LLVKDONJSA-N 0 0 385.392 -1.104 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001581118675 1075755498 /nfs/dbraw/zinc/75/54/98/1075755498.db2.gz HCKUKWQHURQHGS-NSHDSACASA-N 0 0 385.392 -1.104 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001581125015 1075755560 /nfs/dbraw/zinc/75/55/60/1075755560.db2.gz KLPHCUNMANCDMV-GFCCVEGCSA-N 0 0 389.420 -1.173 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001581125018 1075755523 /nfs/dbraw/zinc/75/55/23/1075755523.db2.gz KLPHCUNMANCDMV-LBPRGKRZSA-N 0 0 389.420 -1.173 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001581125069 1075755489 /nfs/dbraw/zinc/75/54/89/1075755489.db2.gz MDHNYIULEQTFJX-LLVKDONJSA-N 0 0 375.393 -1.516 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001581125070 1075755546 /nfs/dbraw/zinc/75/55/46/1075755546.db2.gz MDHNYIULEQTFJX-NSHDSACASA-N 0 0 375.393 -1.516 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)CS(C)(=O)=O)n1 ZINC001581125151 1075755501 /nfs/dbraw/zinc/75/55/01/1075755501.db2.gz OHHTXILOGMXUFA-UHFFFAOYSA-N 0 0 383.434 -1.152 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCNC(=O)CN2C(=O)C(=O)N(C)C2=O)n1 ZINC001581125565 1075755531 /nfs/dbraw/zinc/75/55/31/1075755531.db2.gz WMVIRTVDRHHITO-UHFFFAOYSA-N 0 0 387.360 -1.481 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(NCCN(CCO)C(=O)CCn2cnnn2)n1 ZINC001581125717 1075755791 /nfs/dbraw/zinc/75/57/91/1075755791.db2.gz ZTMNHCDGNQQIIW-UHFFFAOYSA-N 0 0 387.408 -1.120 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581137309 1075755810 /nfs/dbraw/zinc/75/58/10/1075755810.db2.gz ARRARVTTZFWRHD-UHFFFAOYSA-N 0 0 385.388 -1.052 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137315 1075755821 /nfs/dbraw/zinc/75/58/21/1075755821.db2.gz AWLKGIMKECIMOX-JTQLQIEISA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137316 1075755873 /nfs/dbraw/zinc/75/58/73/1075755873.db2.gz AWLKGIMKECIMOX-SNVBAGLBSA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581137345 1075755830 /nfs/dbraw/zinc/75/58/30/1075755830.db2.gz CBEVMTPVEQKHMY-JTQLQIEISA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581137346 1075755888 /nfs/dbraw/zinc/75/58/88/1075755888.db2.gz CBEVMTPVEQKHMY-SNVBAGLBSA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCc1nnc2n1CCNC2=O ZINC001581137367 1075755892 /nfs/dbraw/zinc/75/58/92/1075755892.db2.gz CXQAFZOEXDELAB-UHFFFAOYSA-N 0 0 389.401 -1.011 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581137371 1075755768 /nfs/dbraw/zinc/75/57/68/1075755768.db2.gz DIIRLVONIAVSOE-UHFFFAOYSA-N 0 0 383.372 -1.299 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NCCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137394 1075755838 /nfs/dbraw/zinc/75/58/38/1075755838.db2.gz FMFALIPBCVVEAE-UHFFFAOYSA-N 0 0 385.388 -1.004 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N(C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137486 1075755935 /nfs/dbraw/zinc/75/59/35/1075755935.db2.gz IRFVFNPKGKQRTL-UHFFFAOYSA-N 0 0 385.388 -1.052 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581137529 1075755834 /nfs/dbraw/zinc/75/58/34/1075755834.db2.gz JKAJQQXMLZWRPN-UHFFFAOYSA-N 0 0 383.372 -1.299 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137932 1075755781 /nfs/dbraw/zinc/75/57/81/1075755781.db2.gz PJYBUKYKFQWFKB-JTQLQIEISA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581137933 1075755904 /nfs/dbraw/zinc/75/59/04/1075755904.db2.gz PJYBUKYKFQWFKB-SNVBAGLBSA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N(C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581138207 1075755842 /nfs/dbraw/zinc/75/58/42/1075755842.db2.gz UJMCFWUBPCUMDD-UHFFFAOYSA-N 0 0 385.388 -1.052 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581138242 1075755801 /nfs/dbraw/zinc/75/58/01/1075755801.db2.gz VNIJGQRLJAROGS-JTQLQIEISA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581138243 1075755949 /nfs/dbraw/zinc/75/59/49/1075755949.db2.gz VNIJGQRLJAROGS-SNVBAGLBSA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)N2CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581138252 1075755858 /nfs/dbraw/zinc/75/58/58/1075755858.db2.gz VXYNRQOKBKIUBP-UHFFFAOYSA-N 0 0 383.372 -1.299 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581138265 1075755866 /nfs/dbraw/zinc/75/58/66/1075755866.db2.gz WLLVHGGJOCBTFI-JTQLQIEISA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(=O)n(CC(=O)NC[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581138266 1075755918 /nfs/dbraw/zinc/75/59/18/1075755918.db2.gz WLLVHGGJOCBTFI-SNVBAGLBSA-N 0 0 385.388 -1.005 20 0 GAADRN Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001581143848 1075755848 /nfs/dbraw/zinc/75/58/48/1075755848.db2.gz ABSDTHHDDUMWNM-UHFFFAOYSA-N 0 0 383.372 -1.090 20 0 GAADRN CCN(CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)CNS(=O)(=O)NC ZINC001581144009 1075756127 /nfs/dbraw/zinc/75/61/27/1075756127.db2.gz KUXBWBPODROMPU-SGMGOOAPSA-N 0 0 376.479 -1.180 20 0 GAADRN CCN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)CNC(=O)CNC(C)=O ZINC001581144185 1075756309 /nfs/dbraw/zinc/75/63/09/1075756309.db2.gz NUHAJTFAWJDVQH-RBUCKAEESA-N 0 0 380.445 -1.373 20 0 GAADRN Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581144922 1075756179 /nfs/dbraw/zinc/75/61/79/1075756179.db2.gz OQYUYCKUBTWTQK-UHFFFAOYSA-N 0 0 383.372 -1.090 20 0 GAADRN Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001581145826 1075756171 /nfs/dbraw/zinc/75/61/71/1075756171.db2.gz ZYTANWGURCAAAG-UHFFFAOYSA-N 0 0 383.372 -1.090 20 0 GAADRN CCN(CCNC(=O)CN1CCNC(=O)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001581150479 1075756123 /nfs/dbraw/zinc/75/61/23/1075756123.db2.gz MPCIKEOFECBRQL-GRDNDAEWSA-N 0 0 382.461 -1.566 20 0 GAADRN Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581151776 1075756156 /nfs/dbraw/zinc/75/61/56/1075756156.db2.gz KUUWTPJHIAYXNW-CHWSQXEVSA-N 0 0 383.372 -1.091 20 0 GAADRN Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001581151783 1075756130 /nfs/dbraw/zinc/75/61/30/1075756130.db2.gz LDNLYDCCCVYEJQ-CHWSQXEVSA-N 0 0 383.372 -1.091 20 0 GAADRN 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Cn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)ncc1=O ZINC001581756783 1075784411 /nfs/dbraw/zinc/78/44/11/1075784411.db2.gz ONQIPBAETKMPHJ-VIFPVBQESA-N 0 0 383.372 -1.067 20 0 GAADRN Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001581756841 1075784524 /nfs/dbraw/zinc/78/45/24/1075784524.db2.gz QBLXRFMIVDVFEZ-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001581756842 1075784293 /nfs/dbraw/zinc/78/42/93/1075784293.db2.gz QBLXRFMIVDVFEZ-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n(C)c1=O ZINC001581756845 1075784438 /nfs/dbraw/zinc/78/44/38/1075784438.db2.gz QICREWZEWZSOTQ-SECBINFHSA-N 0 0 385.388 -1.124 20 0 GAADRN Cn1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n(C)c1=O ZINC001581756846 1075784311 /nfs/dbraw/zinc/78/43/11/1075784311.db2.gz QICREWZEWZSOTQ-VIFPVBQESA-N 0 0 385.388 -1.124 20 0 GAADRN Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581756880 1075784816 /nfs/dbraw/zinc/78/48/16/1075784816.db2.gz QRYBPIZOUNZHRN-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581756881 1075784735 /nfs/dbraw/zinc/78/47/35/1075784735.db2.gz QRYBPIZOUNZHRN-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n(C)c1=O ZINC001581756912 1075784774 /nfs/dbraw/zinc/78/47/74/1075784774.db2.gz RMSRAFXWCCBICX-JTQLQIEISA-N 0 0 385.388 -1.124 20 0 GAADRN Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n(C)c1=O ZINC001581756913 1075784726 /nfs/dbraw/zinc/78/47/26/1075784726.db2.gz RMSRAFXWCCBICX-SNVBAGLBSA-N 0 0 385.388 -1.124 20 0 GAADRN Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001581756920 1075784829 /nfs/dbraw/zinc/78/48/29/1075784829.db2.gz RRZAMQVRBHZHHZ-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN 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ZINC001581758492 1075785496 /nfs/dbraw/zinc/78/54/96/1075785496.db2.gz KDUBSVDYGPEKBA-UHFFFAOYSA-N 0 0 385.388 -1.076 20 0 GAADRN Cn1cc(C(=O)N[C@@]2(CO)CCCN(c3nccnc3-c3nn[nH]n3)C2)nn1 ZINC001581758529 1075785587 /nfs/dbraw/zinc/78/55/87/1075785587.db2.gz LGUNOHPDPMFWQY-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)N[C@]2(CO)CCCN(c3nccnc3-c3nn[nH]n3)C2)nn1 ZINC001581758530 1075785835 /nfs/dbraw/zinc/78/58/35/1075785835.db2.gz LGUNOHPDPMFWQY-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)NC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)ncc1=O ZINC001581758535 1075785812 /nfs/dbraw/zinc/78/58/12/1075785812.db2.gz LIQCSRODDUWXCC-UHFFFAOYSA-N 0 0 383.372 -1.019 20 0 GAADRN Cn1cc(C(=O)NC2(CO)CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)nn1 ZINC001581758546 1075785863 /nfs/dbraw/zinc/78/58/63/1075785863.db2.gz LMPFQMFGRNVTIR-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001581758606 1075785822 /nfs/dbraw/zinc/78/58/22/1075785822.db2.gz NIPFDMKXVPNPAA-UHFFFAOYSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC2(CO)CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)nn1 ZINC001581758613 1075785832 /nfs/dbraw/zinc/78/58/32/1075785832.db2.gz NLPDDVYWEUUNND-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581758717 1075785829 /nfs/dbraw/zinc/78/58/29/1075785829.db2.gz RVDDCDKGNZEBCA-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 ZINC001581758729 1075785826 /nfs/dbraw/zinc/78/58/26/1075785826.db2.gz SEFLGEDCNPHZJT-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 ZINC001581758730 1075785838 /nfs/dbraw/zinc/78/58/38/1075785838.db2.gz SEFLGEDCNPHZJT-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1cc(C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001581758778 1075785796 /nfs/dbraw/zinc/78/57/96/1075785796.db2.gz UEGSYPVJICEQAE-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n(C)c1=O ZINC001581758840 1075785851 /nfs/dbraw/zinc/78/58/51/1075785851.db2.gz WDFNPZMTTNKLCS-UHFFFAOYSA-N 0 0 385.388 -1.076 20 0 GAADRN Cn1cc(C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001581758865 1075785857 /nfs/dbraw/zinc/78/58/57/1075785857.db2.gz WQVVKSWZUADALJ-UHFFFAOYSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)ncc1=O ZINC001581758868 1075785841 /nfs/dbraw/zinc/78/58/41/1075785841.db2.gz WTRWBPZJSUDLMP-UHFFFAOYSA-N 0 0 383.372 -1.019 20 0 GAADRN Cn1cc(C(=O)NC[C@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)n(C)c1=O ZINC001581759037 1075786119 /nfs/dbraw/zinc/78/61/19/1075786119.db2.gz CQCOHKQKARGQFW-SECBINFHSA-N 0 0 391.367 -1.359 20 0 GAADRN Cn1cc(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)n(C)c1=O ZINC001581759038 1075786248 /nfs/dbraw/zinc/78/62/48/1075786248.db2.gz CQCOHKQKARGQFW-VIFPVBQESA-N 0 0 391.367 -1.359 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(C)CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)nn1 ZINC001581759153 1075786211 /nfs/dbraw/zinc/78/62/11/1075786211.db2.gz FYKKETQJSOHOAN-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(C)CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)nn1 ZINC001581759154 1075786291 /nfs/dbraw/zinc/78/62/91/1075786291.db2.gz FYKKETQJSOHOAN-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NCC2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n(C)c1=O ZINC001581759202 1075786146 /nfs/dbraw/zinc/78/61/46/1075786146.db2.gz HDMINJYPCXROTG-UHFFFAOYSA-N 0 0 385.388 -1.076 20 0 GAADRN Cn1cc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n(C)c1=O ZINC001581759243 1075786099 /nfs/dbraw/zinc/78/60/99/1075786099.db2.gz IMSVFZVYYUNUKB-UHFFFAOYSA-N 0 0 385.388 -1.076 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(C)CN(c3nccnc3-c3nn[nH]n3)CCO2)nn1 ZINC001581759401 1075786163 /nfs/dbraw/zinc/78/61/63/1075786163.db2.gz NCFYJWQYWLRDHF-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(C)CN(c3nccnc3-c3nn[nH]n3)CCO2)nn1 ZINC001581759402 1075786264 /nfs/dbraw/zinc/78/62/64/1075786264.db2.gz NCFYJWQYWLRDHF-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)nn1 ZINC001581759526 1075786611 /nfs/dbraw/zinc/78/66/11/1075786611.db2.gz QPSDHSFNQFWKJS-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(C)CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)nn1 ZINC001581759527 1075786444 /nfs/dbraw/zinc/78/64/44/1075786444.db2.gz QPSDHSFNQFWKJS-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)n(C)c1=O ZINC001581759630 1075786510 /nfs/dbraw/zinc/78/65/10/1075786510.db2.gz UXXKYNPRTQJCCB-SECBINFHSA-N 0 0 391.367 -1.359 20 0 GAADRN Cn1cc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)n(C)c1=O ZINC001581759631 1075786496 /nfs/dbraw/zinc/78/64/96/1075786496.db2.gz UXXKYNPRTQJCCB-VIFPVBQESA-N 0 0 391.367 -1.359 20 0 GAADRN Cn1cc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n(C)c1=O ZINC001581759774 1075786454 /nfs/dbraw/zinc/78/64/54/1075786454.db2.gz ZFDKYVZOHJQAOQ-UHFFFAOYSA-N 0 0 385.388 -1.076 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(C)CN(c3cncc(-c4nn[nH]n4)n3)CCO2)nn1 ZINC001581759797 1075786488 /nfs/dbraw/zinc/78/64/88/1075786488.db2.gz ZXNQHRYCYFVBRI-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(C)CN(c3cncc(-c4nn[nH]n4)n3)CCO2)nn1 ZINC001581759798 1075786432 /nfs/dbraw/zinc/78/64/32/1075786432.db2.gz ZXNQHRYCYFVBRI-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001581759812 1075786593 /nfs/dbraw/zinc/78/65/93/1075786593.db2.gz AFXCMBDAHCOAOI-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001581759813 1075786555 /nfs/dbraw/zinc/78/65/55/1075786555.db2.gz AFXCMBDAHCOAOI-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 ZINC001581759986 1075786462 /nfs/dbraw/zinc/78/64/62/1075786462.db2.gz HHUPHEKEQHWLOS-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 ZINC001581759987 1075786629 /nfs/dbraw/zinc/78/66/29/1075786629.db2.gz HHUPHEKEQHWLOS-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)[nH]c1=O ZINC001581760182 1075786878 /nfs/dbraw/zinc/78/68/78/1075786878.db2.gz NDIQURQVFLESPY-HNNXBMFYSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)[nH]c1=O ZINC001581760183 1075787088 /nfs/dbraw/zinc/78/70/88/1075787088.db2.gz NDIQURQVFLESPY-OAHLLOKOSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581760192 1075787061 /nfs/dbraw/zinc/78/70/61/1075787061.db2.gz NLUHNVVOXFPNRI-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001581760193 1075786966 /nfs/dbraw/zinc/78/69/66/1075786966.db2.gz NLUHNVVOXFPNRI-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001581760207 1075787097 /nfs/dbraw/zinc/78/70/97/1075787097.db2.gz NXDMCMXJTAXOQH-HNNXBMFYSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001581760208 1075787108 /nfs/dbraw/zinc/78/71/08/1075787108.db2.gz NXDMCMXJTAXOQH-OAHLLOKOSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)[nH]c1=O ZINC001581760237 1075786805 /nfs/dbraw/zinc/78/68/05/1075786805.db2.gz OVAJVYIPNWPTDR-HNNXBMFYSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)[nH]c1=O ZINC001581760238 1075786918 /nfs/dbraw/zinc/78/69/18/1075786918.db2.gz OVAJVYIPNWPTDR-OAHLLOKOSA-N 0 0 386.376 -1.533 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001581760315 1075786841 /nfs/dbraw/zinc/78/68/41/1075786841.db2.gz RAPJKRLSSMEVBF-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001581760316 1075786946 /nfs/dbraw/zinc/78/69/46/1075786946.db2.gz RAPJKRLSSMEVBF-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001581760336 1075787045 /nfs/dbraw/zinc/78/70/45/1075787045.db2.gz RODDPZZXSTVNHY-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001581760337 1075787076 /nfs/dbraw/zinc/78/70/76/1075787076.db2.gz RODDPZZXSTVNHY-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC001581760439 1075786992 /nfs/dbraw/zinc/78/69/92/1075786992.db2.gz WUSNTKZAQLVCEI-HNNXBMFYSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC001581760440 1075786795 /nfs/dbraw/zinc/78/67/95/1075786795.db2.gz WUSNTKZAQLVCEI-OAHLLOKOSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001581760454 1075786832 /nfs/dbraw/zinc/78/68/32/1075786832.db2.gz XETCPWQCDKFBGF-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001581760455 1075786859 /nfs/dbraw/zinc/78/68/59/1075786859.db2.gz XETCPWQCDKFBGF-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1cc(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001581760602 1075787031 /nfs/dbraw/zinc/78/70/31/1075787031.db2.gz BTBPSSDYVXWCLK-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1cc(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001581760603 1075787012 /nfs/dbraw/zinc/78/70/12/1075787012.db2.gz BTBPSSDYVXWCLK-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1cc(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)nn1 ZINC001581760620 1075787165 /nfs/dbraw/zinc/78/71/65/1075787165.db2.gz CHJDVUPJKDICRN-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN 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Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)c1 ZINC001581777148 1075792843 /nfs/dbraw/zinc/79/28/43/1075792843.db2.gz NNLKQXNMGXAGNV-ZYHUDNBSSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c1 ZINC001581777177 1075792895 /nfs/dbraw/zinc/79/28/95/1075792895.db2.gz PFSKEVWCGKOVTD-DOMZBBRYSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)c1 ZINC001581777190 1075792869 /nfs/dbraw/zinc/79/28/69/1075792869.db2.gz PPVVYJBIMZFKSB-DGCLKSJQSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)cc1=O ZINC001581777247 1075792754 /nfs/dbraw/zinc/79/27/54/1075792754.db2.gz SQQAAVLALHDIAT-UHFFFAOYSA-N 0 0 385.388 -1.098 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c1 ZINC001581777293 1075792773 /nfs/dbraw/zinc/79/27/73/1075792773.db2.gz VEESEYKZYQJWJQ-HIFRSBDPSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c1 ZINC001581777295 1075792877 /nfs/dbraw/zinc/79/28/77/1075792877.db2.gz VEESEYKZYQJWJQ-UKRRQHHQSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)c1 ZINC001581777544 1075792908 /nfs/dbraw/zinc/79/29/08/1075792908.db2.gz XMDTYVUEJDXWSD-OCCSQVGLSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001581777936 1075792864 /nfs/dbraw/zinc/79/28/64/1075792864.db2.gz IVMHGFGVJKVXAY-GWCFXTLKSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)n1 ZINC001581777938 1075792890 /nfs/dbraw/zinc/79/28/90/1075792890.db2.gz IVMHGFGVJKVXAY-GXFFZTMASA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001581777940 1075792899 /nfs/dbraw/zinc/79/28/99/1075792899.db2.gz IVMHGFGVJKVXAY-MFKMUULPSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)n1 ZINC001581777942 1075792857 /nfs/dbraw/zinc/79/28/57/1075792857.db2.gz IVMHGFGVJKVXAY-ZWNOBZJWSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)n1 ZINC001581777979 1075792884 /nfs/dbraw/zinc/79/28/84/1075792884.db2.gz KTSOHDNWCUFHHA-NOZJJQNGSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)n1 ZINC001581777980 1075792826 /nfs/dbraw/zinc/79/28/26/1075792826.db2.gz KTSOHDNWCUFHHA-RNCFNFMXSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)n1 ZINC001581777981 1075792792 /nfs/dbraw/zinc/79/27/92/1075792792.db2.gz KTSOHDNWCUFHHA-TVQRCGJNSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)n1 ZINC001581777982 1075792850 /nfs/dbraw/zinc/79/28/50/1075792850.db2.gz KTSOHDNWCUFHHA-ZANVPECISA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001581778127 1075792806 /nfs/dbraw/zinc/79/28/06/1075792806.db2.gz LMGRAASQIQYUNX-GWCFXTLKSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)n1 ZINC001581778128 1075792921 /nfs/dbraw/zinc/79/29/21/1075792921.db2.gz LMGRAASQIQYUNX-GXFFZTMASA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001581778129 1075793164 /nfs/dbraw/zinc/79/31/64/1075793164.db2.gz LMGRAASQIQYUNX-MFKMUULPSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)n1 ZINC001581778130 1075793245 /nfs/dbraw/zinc/79/32/45/1075793245.db2.gz LMGRAASQIQYUNX-ZWNOBZJWSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581778469 1075793228 /nfs/dbraw/zinc/79/32/28/1075793228.db2.gz PWKPRPSWRNAXFT-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581778470 1075793373 /nfs/dbraw/zinc/79/33/73/1075793373.db2.gz PWKPRPSWRNAXFT-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581779113 1075793127 /nfs/dbraw/zinc/79/31/27/1075793127.db2.gz XSVVGQMHNOKAPJ-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581779114 1075793359 /nfs/dbraw/zinc/79/33/59/1075793359.db2.gz XSVVGQMHNOKAPJ-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581780733 1075793344 /nfs/dbraw/zinc/79/33/44/1075793344.db2.gz OJVJMRKTYLTTDS-UHFFFAOYSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581780896 1075793284 /nfs/dbraw/zinc/79/32/84/1075793284.db2.gz LCMJCSDRJPSULJ-GWCFXTLKSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581780897 1075793305 /nfs/dbraw/zinc/79/33/05/1075793305.db2.gz LCMJCSDRJPSULJ-GXFFZTMASA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581780898 1075793295 /nfs/dbraw/zinc/79/32/95/1075793295.db2.gz LCMJCSDRJPSULJ-MFKMUULPSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581780999 1075793261 /nfs/dbraw/zinc/79/32/61/1075793261.db2.gz LCMJCSDRJPSULJ-ZWNOBZJWSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581781059 1075793317 /nfs/dbraw/zinc/79/33/17/1075793317.db2.gz SDMLEAUBQHPCGZ-UHFFFAOYSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)n1 ZINC001581781795 1075793208 /nfs/dbraw/zinc/79/32/08/1075793208.db2.gz RYGRHOSGUNTSCO-GWCFXTLKSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001581781796 1075793140 /nfs/dbraw/zinc/79/31/40/1075793140.db2.gz RYGRHOSGUNTSCO-GXFFZTMASA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)n1 ZINC001581781797 1075793194 /nfs/dbraw/zinc/79/31/94/1075793194.db2.gz RYGRHOSGUNTSCO-MFKMUULPSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001581781798 1075793178 /nfs/dbraw/zinc/79/31/78/1075793178.db2.gz RYGRHOSGUNTSCO-ZWNOBZJWSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)n1 ZINC001581782403 1075793330 /nfs/dbraw/zinc/79/33/30/1075793330.db2.gz YKGDFOYNQICQKA-NOZJJQNGSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)n1 ZINC001581782405 1075793154 /nfs/dbraw/zinc/79/31/54/1075793154.db2.gz YKGDFOYNQICQKA-RNCFNFMXSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)n1 ZINC001581782407 1075793112 /nfs/dbraw/zinc/79/31/12/1075793112.db2.gz YKGDFOYNQICQKA-TVQRCGJNSA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)n1 ZINC001581782408 1075793271 /nfs/dbraw/zinc/79/32/71/1075793271.db2.gz YKGDFOYNQICQKA-ZANVPECISA-N 0 0 385.388 -1.066 20 0 GAADRN Cn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581784206 1075793586 /nfs/dbraw/zinc/79/35/86/1075793586.db2.gz KOPZWDUFTWBKLT-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581784207 1075793680 /nfs/dbraw/zinc/79/36/80/1075793680.db2.gz KOPZWDUFTWBKLT-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581784310 1075793551 /nfs/dbraw/zinc/79/35/51/1075793551.db2.gz OLYPKYNDQPNITE-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581784311 1075793653 /nfs/dbraw/zinc/79/36/53/1075793653.db2.gz OLYPKYNDQPNITE-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581784736 1075793535 /nfs/dbraw/zinc/79/35/35/1075793535.db2.gz ZZUAOHBPSGHGJG-INIZCTEOSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581784738 1075793580 /nfs/dbraw/zinc/79/35/80/1075793580.db2.gz ZZUAOHBPSGHGJG-MRXNPFEDSA-N 0 0 385.388 -1.065 20 0 GAADRN Cn1ccc(C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581785137 1075793621 /nfs/dbraw/zinc/79/36/21/1075793621.db2.gz IDRPREXOXQJRBH-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ccc(C(=O)NCCN2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)n1 ZINC001581785510 1075793598 /nfs/dbraw/zinc/79/35/98/1075793598.db2.gz QUFHIWLVXLOUSW-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ccc(C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)n1 ZINC001581785512 1075793571 /nfs/dbraw/zinc/79/35/71/1075793571.db2.gz QYTPJMQCODZZER-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ccc(C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)n1 ZINC001581785784 1075793713 /nfs/dbraw/zinc/79/37/13/1075793713.db2.gz VZEVDUUNPOYHNR-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)cc1=O ZINC001581786598 1075793542 /nfs/dbraw/zinc/79/35/42/1075793542.db2.gz BTXNUWHRSKRVSD-VXGBXAGGSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)cc1=O ZINC001581786736 1075793669 /nfs/dbraw/zinc/79/36/69/1075793669.db2.gz KYRZCAJSEWSIKB-GHMZBOCLSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)cc1=O ZINC001581786780 1075793634 /nfs/dbraw/zinc/79/36/34/1075793634.db2.gz OCWJUQGCCPWMGP-VXGBXAGGSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)cc1=O ZINC001581786788 1075793593 /nfs/dbraw/zinc/79/35/93/1075793593.db2.gz OXDPWINCKKKEED-OCCSQVGLSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)cc1=O ZINC001581786789 1075793519 /nfs/dbraw/zinc/79/35/19/1075793519.db2.gz OXDPWINCKKKEED-TZMCWYRMSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)cc1=O ZINC001581786802 1075793526 /nfs/dbraw/zinc/79/35/26/1075793526.db2.gz PYCGOAMNGDXPED-CHWSQXEVSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)cc1=O ZINC001581786813 1075793643 /nfs/dbraw/zinc/79/36/43/1075793643.db2.gz QLCYLTBJRVHTRH-KGLIPLIRSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)cc1=O ZINC001581786814 1075793608 /nfs/dbraw/zinc/79/36/08/1075793608.db2.gz QLCYLTBJRVHTRH-ZIAGYGMSSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)cc1=O ZINC001581786887 1075793695 /nfs/dbraw/zinc/79/36/95/1075793695.db2.gz VZAQSEAWMIFBBZ-CHWSQXEVSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)cc1=O ZINC001581786888 1075794109 /nfs/dbraw/zinc/79/41/09/1075794109.db2.gz VZAQSEAWMIFBBZ-OLZOCXBDSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)cc1=O ZINC001581786925 1075793959 /nfs/dbraw/zinc/79/39/59/1075793959.db2.gz XUFMKDFZWCNFNS-CHWSQXEVSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581786996 1075793973 /nfs/dbraw/zinc/79/39/73/1075793973.db2.gz CIZZAADFMIBUNV-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1ccc(CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581787106 1075793898 /nfs/dbraw/zinc/79/38/98/1075793898.db2.gz ILTLSZFYKGGSQP-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1ccc(CC(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581787200 1075794060 /nfs/dbraw/zinc/79/40/60/1075794060.db2.gz NFBTZRCTLOOEEV-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581787236 1075794077 /nfs/dbraw/zinc/79/40/77/1075794077.db2.gz OPSQHQPIAYECEC-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581787270 1075794100 /nfs/dbraw/zinc/79/41/00/1075794100.db2.gz PWBZVFNTIJWRJZ-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001581787271 1075793904 /nfs/dbraw/zinc/79/39/04/1075793904.db2.gz PWBZVFNTIJWRJZ-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581787304 1075793892 /nfs/dbraw/zinc/79/38/92/1075793892.db2.gz RGPSEMDPZGSGFQ-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581787317 1075794131 /nfs/dbraw/zinc/79/41/31/1075794131.db2.gz RPVVRXVPWZLWHQ-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581787358 1075793945 /nfs/dbraw/zinc/79/39/45/1075793945.db2.gz UFCUASRERIKAGD-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)n1 ZINC001581787359 1075793999 /nfs/dbraw/zinc/79/39/99/1075793999.db2.gz UFCUASRERIKAGD-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001581787412 1075794014 /nfs/dbraw/zinc/79/40/14/1075794014.db2.gz WNHCTKIEQZJKNT-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001581787597 1075794088 /nfs/dbraw/zinc/79/40/88/1075794088.db2.gz DIUXLUUVXXDKIJ-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)n1 ZINC001581787598 1075794121 /nfs/dbraw/zinc/79/41/21/1075794121.db2.gz DIUXLUUVXXDKIJ-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)n1 ZINC001581787622 1075793885 /nfs/dbraw/zinc/79/38/85/1075793885.db2.gz DSPOYIISCOQQJI-INIZCTEOSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)n1 ZINC001581787624 1075793929 /nfs/dbraw/zinc/79/39/29/1075793929.db2.gz DSPOYIISCOQQJI-MRXNPFEDSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001581787675 1075794429 /nfs/dbraw/zinc/79/44/29/1075794429.db2.gz FOSMVAXNCAFGQN-AAEUAGOBSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001581787677 1075794407 /nfs/dbraw/zinc/79/44/07/1075794407.db2.gz FOSMVAXNCAFGQN-DGCLKSJQSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001581787679 1075794349 /nfs/dbraw/zinc/79/43/49/1075794349.db2.gz FOSMVAXNCAFGQN-WCQYABFASA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001581787681 1075794437 /nfs/dbraw/zinc/79/44/37/1075794437.db2.gz FOSMVAXNCAFGQN-YPMHNXCESA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581787809 1075794384 /nfs/dbraw/zinc/79/43/84/1075794384.db2.gz HPHJGGAGJWQDBP-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001581787928 1075794422 /nfs/dbraw/zinc/79/44/22/1075794422.db2.gz IFIZOMZRJXOXLI-AAEUAGOBSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001581787929 1075794468 /nfs/dbraw/zinc/79/44/68/1075794468.db2.gz IFIZOMZRJXOXLI-DGCLKSJQSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001581787930 1075794245 /nfs/dbraw/zinc/79/42/45/1075794245.db2.gz IFIZOMZRJXOXLI-WCQYABFASA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001581787931 1075794478 /nfs/dbraw/zinc/79/44/78/1075794478.db2.gz IFIZOMZRJXOXLI-YPMHNXCESA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581787977 1075794445 /nfs/dbraw/zinc/79/44/45/1075794445.db2.gz JYSIAVLULUBKJZ-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)n1 ZINC001581788133 1075794317 /nfs/dbraw/zinc/79/43/17/1075794317.db2.gz LBPRJYLSVLGMBJ-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)n1 ZINC001581788135 1075794299 /nfs/dbraw/zinc/79/42/99/1075794299.db2.gz LBPRJYLSVLGMBJ-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581788140 1075794366 /nfs/dbraw/zinc/79/43/66/1075794366.db2.gz LEPFGHZHEGRSFO-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001581788157 1075794263 /nfs/dbraw/zinc/79/42/63/1075794263.db2.gz LKJWAIQHQXXXCE-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001581788159 1075794460 /nfs/dbraw/zinc/79/44/60/1075794460.db2.gz LKJWAIQHQXXXCE-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581788450 1075794281 /nfs/dbraw/zinc/79/42/81/1075794281.db2.gz PFOSQYZEAVZSND-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581788451 1075794414 /nfs/dbraw/zinc/79/44/14/1075794414.db2.gz PFOSQYZEAVZSND-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001581788500 1075794334 /nfs/dbraw/zinc/79/43/34/1075794334.db2.gz RHIRXUAOWJFMQB-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)n1 ZINC001581788501 1075794620 /nfs/dbraw/zinc/79/46/20/1075794620.db2.gz RHIRXUAOWJFMQB-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581788644 1075794605 /nfs/dbraw/zinc/79/46/05/1075794605.db2.gz SNAQEVSCEJLKRA-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)n1 ZINC001581788651 1075794784 /nfs/dbraw/zinc/79/47/84/1075794784.db2.gz SVPRKQAWLCTEEZ-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)n1 ZINC001581788652 1075794649 /nfs/dbraw/zinc/79/46/49/1075794649.db2.gz SVPRKQAWLCTEEZ-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581788673 1075794668 /nfs/dbraw/zinc/79/46/68/1075794668.db2.gz UDDIHJVMULPRFY-INIZCTEOSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581788674 1075794774 /nfs/dbraw/zinc/79/47/74/1075794774.db2.gz UDDIHJVMULPRFY-MRXNPFEDSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581788708 1075794726 /nfs/dbraw/zinc/79/47/26/1075794726.db2.gz UPLFISMMLVWRGG-NEPJUHHUSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581788711 1075794636 /nfs/dbraw/zinc/79/46/36/1075794636.db2.gz UPLFISMMLVWRGG-NWDGAFQWSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581788713 1075794752 /nfs/dbraw/zinc/79/47/52/1075794752.db2.gz UPLFISMMLVWRGG-RYUDHWBXSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581788715 1075794699 /nfs/dbraw/zinc/79/46/99/1075794699.db2.gz UPLFISMMLVWRGG-VXGBXAGGSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CC(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581788917 1075794720 /nfs/dbraw/zinc/79/47/20/1075794720.db2.gz VTVQXOOVRJCBOJ-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581788947 1075794764 /nfs/dbraw/zinc/79/47/64/1075794764.db2.gz WQZVWKMRUXJQLP-UHFFFAOYSA-N 0 0 387.404 -1.278 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)n1 ZINC001581788951 1075794690 /nfs/dbraw/zinc/79/46/90/1075794690.db2.gz WTWHMJNLAXVESH-INIZCTEOSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)n1 ZINC001581788952 1075794714 /nfs/dbraw/zinc/79/47/14/1075794714.db2.gz WTWHMJNLAXVESH-MRXNPFEDSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581788975 1075794733 /nfs/dbraw/zinc/79/47/33/1075794733.db2.gz XOZLPCLEYFAUDE-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581788976 1075794675 /nfs/dbraw/zinc/79/46/75/1075794675.db2.gz XOZLPCLEYFAUDE-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)n1 ZINC001581788977 1075794742 /nfs/dbraw/zinc/79/47/42/1075794742.db2.gz XPOHICYMJJGBKA-GFCCVEGCSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)n1 ZINC001581788978 1075794658 /nfs/dbraw/zinc/79/46/58/1075794658.db2.gz XPOHICYMJJGBKA-LBPRGKRZSA-N 0 0 384.404 -1.046 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)n1 ZINC001581789005 1075795043 /nfs/dbraw/zinc/79/50/43/1075795043.db2.gz YXAASNFQOWEQKT-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001581789071 1075795188 /nfs/dbraw/zinc/79/51/88/1075795188.db2.gz ZVVKPOBBBYHUEC-INIZCTEOSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CC(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001581789073 1075795012 /nfs/dbraw/zinc/79/50/12/1075795012.db2.gz ZVVKPOBBBYHUEC-MRXNPFEDSA-N 0 0 384.404 -1.310 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789609 1075795070 /nfs/dbraw/zinc/79/50/70/1075795070.db2.gz AJVPYVIZMRTVLP-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789610 1075795021 /nfs/dbraw/zinc/79/50/21/1075795021.db2.gz AJVPYVIZMRTVLP-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789670 1075795152 /nfs/dbraw/zinc/79/51/52/1075795152.db2.gz CTQZXWANNLQDQR-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789671 1075795236 /nfs/dbraw/zinc/79/52/36/1075795236.db2.gz CTQZXWANNLQDQR-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789675 1075795002 /nfs/dbraw/zinc/79/50/02/1075795002.db2.gz CYDVQTHKPZTILF-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789676 1075795131 /nfs/dbraw/zinc/79/51/31/1075795131.db2.gz CYDVQTHKPZTILF-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789711 1075794996 /nfs/dbraw/zinc/79/49/96/1075794996.db2.gz FMCHZKDQMNQDKX-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789712 1075795101 /nfs/dbraw/zinc/79/51/01/1075795101.db2.gz FMCHZKDQMNQDKX-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)n1 ZINC001581789738 1075794985 /nfs/dbraw/zinc/79/49/85/1075794985.db2.gz GLUPNLBLFXCYIL-ZIAGYGMSSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789779 1075795217 /nfs/dbraw/zinc/79/52/17/1075795217.db2.gz HUOTTWJOSYZBJP-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581789780 1075795030 /nfs/dbraw/zinc/79/50/30/1075795030.db2.gz HUOTTWJOSYZBJP-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581789875 1075795202 /nfs/dbraw/zinc/79/52/02/1075795202.db2.gz LWFVGYFOFQBQTM-ZIAGYGMSSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581789907 1075795056 /nfs/dbraw/zinc/79/50/56/1075795056.db2.gz NRJFLMBEYACSNL-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581789908 1075794974 /nfs/dbraw/zinc/79/49/74/1075794974.db2.gz NRJFLMBEYACSNL-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789926 1075795083 /nfs/dbraw/zinc/79/50/83/1075795083.db2.gz ORNSZNNIENLIID-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581789927 1075795169 /nfs/dbraw/zinc/79/51/69/1075795169.db2.gz ORNSZNNIENLIID-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581790071 1075795608 /nfs/dbraw/zinc/79/56/08/1075795608.db2.gz WLKNDARFIUZYEY-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581790072 1075795453 /nfs/dbraw/zinc/79/54/53/1075795453.db2.gz WLKNDARFIUZYEY-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581790125 1075795599 /nfs/dbraw/zinc/79/55/99/1075795599.db2.gz YTNYWNMSOZNPRQ-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581790126 1075795437 /nfs/dbraw/zinc/79/54/37/1075795437.db2.gz YTNYWNMSOZNPRQ-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581790171 1075795376 /nfs/dbraw/zinc/79/53/76/1075795376.db2.gz AHFHGLLDGNYBHH-NEPJUHHUSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581790172 1075795467 /nfs/dbraw/zinc/79/54/67/1075795467.db2.gz AHFHGLLDGNYBHH-VXGBXAGGSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CN2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1=O ZINC001581790229 1075795387 /nfs/dbraw/zinc/79/53/87/1075795387.db2.gz CIWLKFLPPXCCLD-UHFFFAOYSA-N 0 0 384.400 -1.130 20 0 GAADRN Cn1ccc(CN2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)cc1=O ZINC001581790381 1075795586 /nfs/dbraw/zinc/79/55/86/1075795586.db2.gz IBSYRAWAHBEZLS-KGLIPLIRSA-N 0 0 384.400 -1.131 20 0 GAADRN Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1=O ZINC001581790382 1075795539 /nfs/dbraw/zinc/79/55/39/1075795539.db2.gz IBSYRAWAHBEZLS-ZIAGYGMSSA-N 0 0 384.400 -1.131 20 0 GAADRN Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1=O ZINC001581790403 1075795551 /nfs/dbraw/zinc/79/55/51/1075795551.db2.gz JAFAFJHCVAVMBF-ZIAGYGMSSA-N 0 0 384.400 -1.131 20 0 GAADRN Cn1ccc(CN2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1=O ZINC001581790421 1075795508 /nfs/dbraw/zinc/79/55/08/1075795508.db2.gz JSRRBLRVKONYFO-UHFFFAOYSA-N 0 0 384.400 -1.130 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001581790434 1075795400 /nfs/dbraw/zinc/79/54/00/1075795400.db2.gz KGILKVSNWVTKIO-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)n1 ZINC001581790567 1075795483 /nfs/dbraw/zinc/79/54/83/1075795483.db2.gz NJJLGHQEEKUBLD-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001581790568 1075795423 /nfs/dbraw/zinc/79/54/23/1075795423.db2.gz NJJLGHQEEKUBLD-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cc1=O ZINC001581790781 1075795363 /nfs/dbraw/zinc/79/53/63/1075795363.db2.gz WJEWYKVKOIROCQ-KGLIPLIRSA-N 0 0 384.400 -1.131 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001581790794 1075795518 /nfs/dbraw/zinc/79/55/18/1075795518.db2.gz XDPAIDGIKKZRGP-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001581790795 1075795569 /nfs/dbraw/zinc/79/55/69/1075795569.db2.gz XDPAIDGIKKZRGP-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ccc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1=O ZINC001581790823 1075795411 /nfs/dbraw/zinc/79/54/11/1075795411.db2.gz YULYTIRCJGZXNY-UHFFFAOYSA-N 0 0 384.400 -1.130 20 0 GAADRN Cn1ccc(NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)nc1=O ZINC001581791107 1075795498 /nfs/dbraw/zinc/79/54/98/1075795498.db2.gz BPADYUVBIMDJKH-UHFFFAOYSA-N 0 0 390.385 -1.288 20 0 GAADRN Cn1cccc(C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)c1=O ZINC001581791229 1075795924 /nfs/dbraw/zinc/79/59/24/1075795924.db2.gz DWHDOZMTJKMUPR-UHFFFAOYSA-N 0 0 385.388 -1.098 20 0 GAADRN Cn1cccc(C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)c1=O ZINC001581791358 1075795785 /nfs/dbraw/zinc/79/57/85/1075795785.db2.gz GCYNQCWHPYXUHR-UHFFFAOYSA-N 0 0 385.388 -1.098 20 0 GAADRN Cn1cccc(C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)c1=O ZINC001581791556 1075795774 /nfs/dbraw/zinc/79/57/74/1075795774.db2.gz LDZWAGJYESNFLG-UHFFFAOYSA-N 0 0 385.388 -1.098 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)c1=O ZINC001581793127 1075795977 /nfs/dbraw/zinc/79/59/77/1075795977.db2.gz BZUBXIXHZKLSTL-OLZOCXBDSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)c1=O ZINC001581793138 1075795811 /nfs/dbraw/zinc/79/58/11/1075795811.db2.gz CIXPDOXEZBAUON-MNOVXSKESA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c1=O ZINC001581793164 1075795955 /nfs/dbraw/zinc/79/59/55/1075795955.db2.gz DIUXSXJBNVTTKZ-KGLIPLIRSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c1=O ZINC001581793165 1075795840 /nfs/dbraw/zinc/79/58/40/1075795840.db2.gz DIUXSXJBNVTTKZ-ZIAGYGMSSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)c1=O ZINC001581793488 1075795900 /nfs/dbraw/zinc/79/59/00/1075795900.db2.gz JHVHZAKKPJNUNH-TZMCWYRMSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c1=O ZINC001581793559 1075795764 /nfs/dbraw/zinc/79/57/64/1075795764.db2.gz MWIPKCVTBYJPNI-CHWSQXEVSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1=O ZINC001581793560 1075795871 /nfs/dbraw/zinc/79/58/71/1075795871.db2.gz MWIPKCVTBYJPNI-OLZOCXBDSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)c1=O ZINC001581793704 1075795753 /nfs/dbraw/zinc/79/57/53/1075795753.db2.gz RORFTKRFRAPHPP-NEPJUHHUSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1=O ZINC001581793776 1075795993 /nfs/dbraw/zinc/79/59/93/1075795993.db2.gz RVRIPKYOGLHDLU-NEPJUHHUSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)c1=O ZINC001581793804 1075796006 /nfs/dbraw/zinc/79/60/06/1075796006.db2.gz UAKARCCDXLYGAX-NEPJUHHUSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccn2c(CCNC(=O)Cc3ccc(-c4nn[nH]n4)nc3)nnc2c1=O ZINC001581796418 1075795885 /nfs/dbraw/zinc/79/58/85/1075795885.db2.gz KVMYYPXTCHWTCF-UHFFFAOYSA-N 0 0 380.372 -1.096 20 0 GAADRN Cn1ccnc1CCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797351 1075795823 /nfs/dbraw/zinc/79/58/23/1075795823.db2.gz AAGZQICQOOMOPN-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccnc1CCC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797352 1075796298 /nfs/dbraw/zinc/79/62/98/1075796298.db2.gz AAGZQICQOOMOPN-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccnc1CCC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797430 1075796131 /nfs/dbraw/zinc/79/61/31/1075796131.db2.gz CCXLEPBFYQAAKY-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccnc1CCC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797431 1075796332 /nfs/dbraw/zinc/79/63/32/1075796332.db2.gz CCXLEPBFYQAAKY-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1ccnc1CCC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797500 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0 385.392 -1.454 20 0 GAADRN Cn1ncc(C(=O)NC2(CO)CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)n1 ZINC001581827191 1075815144 /nfs/dbraw/zinc/81/51/44/1075815144.db2.gz RAJSOPVYWJFRMZ-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581827254 1075815318 /nfs/dbraw/zinc/81/53/18/1075815318.db2.gz IOWBBHRINLSZSX-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581827255 1075815692 /nfs/dbraw/zinc/81/56/92/1075815692.db2.gz IOWBBHRINLSZSX-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581827266 1075815720 /nfs/dbraw/zinc/81/57/20/1075815720.db2.gz IVPQQTNABZNIJM-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581827267 1075815676 /nfs/dbraw/zinc/81/56/76/1075815676.db2.gz IVPQQTNABZNIJM-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581827287 1075815664 /nfs/dbraw/zinc/81/56/64/1075815664.db2.gz JZQJSGWJGSQTBT-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581827288 1075815476 /nfs/dbraw/zinc/81/54/76/1075815476.db2.gz JZQJSGWJGSQTBT-VIFPVBQESA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581827389 1075815638 /nfs/dbraw/zinc/81/56/38/1075815638.db2.gz UMHMGCIFAKCHPQ-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581827416 1075815506 /nfs/dbraw/zinc/81/55/06/1075815506.db2.gz LKYUIXMWWMHRLM-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581827417 1075815559 /nfs/dbraw/zinc/81/55/59/1075815559.db2.gz LKYUIXMWWMHRLM-VIFPVBQESA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)c1N ZINC001581827425 1075815733 /nfs/dbraw/zinc/81/57/33/1075815733.db2.gz LPMPGIIOQIUCNR-SECBINFHSA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)c1N ZINC001581827426 1075815571 /nfs/dbraw/zinc/81/55/71/1075815571.db2.gz LPMPGIIOQIUCNR-VIFPVBQESA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001581827572 1075815586 /nfs/dbraw/zinc/81/55/86/1075815586.db2.gz XAQXFIZTTGJMFT-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1ncc(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)n1 ZINC001581827573 1075815655 /nfs/dbraw/zinc/81/56/55/1075815655.db2.gz XAQXFIZTTGJMFT-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581827619 1075815756 /nfs/dbraw/zinc/81/57/56/1075815756.db2.gz RTAUWMUWOHYODR-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581827620 1075815522 /nfs/dbraw/zinc/81/55/22/1075815522.db2.gz RTAUWMUWOHYODR-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c1N ZINC001581827633 1075815619 /nfs/dbraw/zinc/81/56/19/1075815619.db2.gz SIPHVEVCVWRUDS-SECBINFHSA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c1N ZINC001581827634 1075815540 /nfs/dbraw/zinc/81/55/40/1075815540.db2.gz SIPHVEVCVWRUDS-VIFPVBQESA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1N ZINC001581827642 1075815601 /nfs/dbraw/zinc/81/56/01/1075815601.db2.gz SUIWHIMXEODYJM-SECBINFHSA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1N ZINC001581827643 1075815887 /nfs/dbraw/zinc/81/58/87/1075815887.db2.gz SUIWHIMXEODYJM-VIFPVBQESA-N 0 0 385.392 -1.075 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001581827733 1075816074 /nfs/dbraw/zinc/81/60/74/1075816074.db2.gz YVNWLJKLNNVSKY-BXKDBHETSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)n1 ZINC001581827734 1075815881 /nfs/dbraw/zinc/81/58/81/1075815881.db2.gz YVNWLJKLNNVSKY-CABZTGNLSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001581827735 1075815921 /nfs/dbraw/zinc/81/59/21/1075815921.db2.gz YVNWLJKLNNVSKY-JOYOIKCWSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)n1 ZINC001581827736 1075816001 /nfs/dbraw/zinc/81/60/01/1075816001.db2.gz YVNWLJKLNNVSKY-SKDRFNHKSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c1N ZINC001581827743 1075815911 /nfs/dbraw/zinc/81/59/11/1075815911.db2.gz YYRDHJBLRDXOOU-AAEUAGOBSA-N 0 0 384.404 -1.053 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c1N ZINC001581827744 1075815989 /nfs/dbraw/zinc/81/59/89/1075815989.db2.gz YYRDHJBLRDXOOU-DGCLKSJQSA-N 0 0 384.404 -1.053 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c1N ZINC001581827745 1075815891 /nfs/dbraw/zinc/81/58/91/1075815891.db2.gz YYRDHJBLRDXOOU-WCQYABFASA-N 0 0 384.404 -1.053 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c1N ZINC001581827746 1075816012 /nfs/dbraw/zinc/81/60/12/1075816012.db2.gz YYRDHJBLRDXOOU-YPMHNXCESA-N 0 0 384.404 -1.053 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581827774 1075815967 /nfs/dbraw/zinc/81/59/67/1075815967.db2.gz ZRNWYAOBOZWSQV-BXKDBHETSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581827775 1075815897 /nfs/dbraw/zinc/81/58/97/1075815897.db2.gz ZRNWYAOBOZWSQV-CABZTGNLSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581827776 1075815904 /nfs/dbraw/zinc/81/59/04/1075815904.db2.gz ZRNWYAOBOZWSQV-JOYOIKCWSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581827777 1075816064 /nfs/dbraw/zinc/81/60/64/1075816064.db2.gz ZRNWYAOBOZWSQV-SKDRFNHKSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)n1 ZINC001581827873 1075815980 /nfs/dbraw/zinc/81/59/80/1075815980.db2.gz BDCVICIQVGZKRQ-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(C)CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)n1 ZINC001581827874 1075816024 /nfs/dbraw/zinc/81/60/24/1075816024.db2.gz BDCVICIQVGZKRQ-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(C)CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581827899 1075815944 /nfs/dbraw/zinc/81/59/44/1075815944.db2.gz BQKOUVJDMCPQRG-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(C)CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581827900 1075816049 /nfs/dbraw/zinc/81/60/49/1075816049.db2.gz BQKOUVJDMCPQRG-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581827917 1075815932 /nfs/dbraw/zinc/81/59/32/1075815932.db2.gz CFQNTUCOVGPRQQ-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581827918 1075816301 /nfs/dbraw/zinc/81/63/01/1075816301.db2.gz CFQNTUCOVGPRQQ-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)c1N ZINC001581828054 1075816422 /nfs/dbraw/zinc/81/64/22/1075816422.db2.gz GZQRFVNLHGYJTE-INIZCTEOSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)c1N ZINC001581828055 1075816393 /nfs/dbraw/zinc/81/63/93/1075816393.db2.gz GZQRFVNLHGYJTE-MRXNPFEDSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)n1 ZINC001581828059 1075816458 /nfs/dbraw/zinc/81/64/58/1075816458.db2.gz HEFQUSLCDKUEJO-CMPLNLGQSA-N 0 0 388.367 -1.101 20 0 GAADRN Cn1ncc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)n1 ZINC001581828060 1075816373 /nfs/dbraw/zinc/81/63/73/1075816373.db2.gz HEFQUSLCDKUEJO-JQWIXIFHSA-N 0 0 388.367 -1.101 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)n1 ZINC001581828061 1075816338 /nfs/dbraw/zinc/81/63/38/1075816338.db2.gz HEFQUSLCDKUEJO-PWSUYJOCSA-N 0 0 388.367 -1.101 20 0 GAADRN Cn1ncc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)n1 ZINC001581828062 1075816266 /nfs/dbraw/zinc/81/62/66/1075816266.db2.gz HEFQUSLCDKUEJO-ZYHUDNBSSA-N 0 0 388.367 -1.101 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581828132 1075816450 /nfs/dbraw/zinc/81/64/50/1075816450.db2.gz JKLYRLRNTLNKBY-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581828133 1075816276 /nfs/dbraw/zinc/81/62/76/1075816276.db2.gz JKLYRLRNTLNKBY-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581828203 1075816313 /nfs/dbraw/zinc/81/63/13/1075816313.db2.gz LSUTVLWHVRNSHZ-HNNXBMFYSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581828204 1075816332 /nfs/dbraw/zinc/81/63/32/1075816332.db2.gz LSUTVLWHVRNSHZ-OAHLLOKOSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(C)CN(c3cncc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581828363 1075816347 /nfs/dbraw/zinc/81/63/47/1075816347.db2.gz RFRNSAKICBSBOS-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(C)CN(c3cncc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581828364 1075816404 /nfs/dbraw/zinc/81/64/04/1075816404.db2.gz RFRNSAKICBSBOS-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c1N ZINC001581828365 1075816431 /nfs/dbraw/zinc/81/64/31/1075816431.db2.gz RHGUFOSFEWXTGZ-INIZCTEOSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c1N ZINC001581828366 1075816287 /nfs/dbraw/zinc/81/62/87/1075816287.db2.gz RHGUFOSFEWXTGZ-MRXNPFEDSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(C)CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001581828404 1075816671 /nfs/dbraw/zinc/81/66/71/1075816671.db2.gz SPOSAZLNYFFHPE-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(C)CN(c3nccnc3-c3nn[nH]n3)CCO2)n1 ZINC001581828405 1075816761 /nfs/dbraw/zinc/81/67/61/1075816761.db2.gz SPOSAZLNYFFHPE-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c1N ZINC001581828413 1075816814 /nfs/dbraw/zinc/81/68/14/1075816814.db2.gz TZYNMVGZWKYSSL-INIZCTEOSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c1N ZINC001581828414 1075816771 /nfs/dbraw/zinc/81/67/71/1075816771.db2.gz TZYNMVGZWKYSSL-MRXNPFEDSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c1N ZINC001581828434 1075816653 /nfs/dbraw/zinc/81/66/53/1075816653.db2.gz USVSBSOCVRINIJ-INIZCTEOSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c1N ZINC001581828435 1075816848 /nfs/dbraw/zinc/81/68/48/1075816848.db2.gz USVSBSOCVRINIJ-MRXNPFEDSA-N 0 0 384.404 -1.051 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c1N ZINC001581829425 1075816838 /nfs/dbraw/zinc/81/68/38/1075816838.db2.gz CFVIBNMJYPFMPA-SECBINFHSA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c1N ZINC001581829426 1075816613 /nfs/dbraw/zinc/81/66/13/1075816613.db2.gz CFVIBNMJYPFMPA-VIFPVBQESA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC001581829472 1075816833 /nfs/dbraw/zinc/81/68/33/1075816833.db2.gz FOBDWCXEWJNMPN-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c1N ZINC001581829567 1075816691 /nfs/dbraw/zinc/81/66/91/1075816691.db2.gz IMWLNIPGOAHVIH-SECBINFHSA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c1N ZINC001581829568 1075816635 /nfs/dbraw/zinc/81/66/35/1075816635.db2.gz IMWLNIPGOAHVIH-VIFPVBQESA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCCO2)n1 ZINC001581829571 1075816808 /nfs/dbraw/zinc/81/68/08/1075816808.db2.gz IRMYVDTZFGMVPL-JTQLQIEISA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCCO2)n1 ZINC001581829572 1075816747 /nfs/dbraw/zinc/81/67/47/1075816747.db2.gz IRMYVDTZFGMVPL-SNVBAGLBSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)n1 ZINC001581829604 1075816789 /nfs/dbraw/zinc/81/67/89/1075816789.db2.gz JVRAMZWYICRGQW-UHFFFAOYSA-N 0 0 384.408 -1.663 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1N ZINC001581829625 1075816779 /nfs/dbraw/zinc/81/67/79/1075816779.db2.gz KLBWVWORKKEBOM-SECBINFHSA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1N ZINC001581829626 1075817071 /nfs/dbraw/zinc/81/70/71/1075817071.db2.gz KLBWVWORKKEBOM-VIFPVBQESA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581829632 1075817136 /nfs/dbraw/zinc/81/71/36/1075817136.db2.gz KSFVTXXTBXMVHZ-UHFFFAOYSA-N 0 0 384.408 -1.663 20 0 GAADRN Cn1ncc(C(=O)NCCCOCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581829658 1075817124 /nfs/dbraw/zinc/81/71/24/1075817124.db2.gz LMHOMTYXPPPDPV-UHFFFAOYSA-N 0 0 388.392 -1.110 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581829707 1075817186 /nfs/dbraw/zinc/81/71/86/1075817186.db2.gz NKUMZMULVRUOJE-JTQLQIEISA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581829708 1075817041 /nfs/dbraw/zinc/81/70/41/1075817041.db2.gz NKUMZMULVRUOJE-SNVBAGLBSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)n1 ZINC001581829764 1075817174 /nfs/dbraw/zinc/81/71/74/1075817174.db2.gz PGYZHEGRHZDYJH-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581829794 1075817095 /nfs/dbraw/zinc/81/70/95/1075817095.db2.gz QTIKNGXSDXNBPO-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581829795 1075817166 /nfs/dbraw/zinc/81/71/66/1075817166.db2.gz QTIKNGXSDXNBPO-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)n1 ZINC001581829837 1075816999 /nfs/dbraw/zinc/81/69/99/1075816999.db2.gz SQEDILLAPTWANQ-UHFFFAOYSA-N 0 0 384.408 -1.663 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581829868 1075816990 /nfs/dbraw/zinc/81/69/90/1075816990.db2.gz UIFWSWPGRVBKSI-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581829869 1075817021 /nfs/dbraw/zinc/81/70/21/1075817021.db2.gz UIFWSWPGRVBKSI-VIFPVBQESA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)n1 ZINC001581829877 1075816974 /nfs/dbraw/zinc/81/69/74/1075816974.db2.gz URWATXKAXGJXQL-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)n1 ZINC001581829878 1075817058 /nfs/dbraw/zinc/81/70/58/1075817058.db2.gz URWATXKAXGJXQL-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581829881 1075817082 /nfs/dbraw/zinc/81/70/82/1075817082.db2.gz UWGJRMGQYNOGNN-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581829882 1075817031 /nfs/dbraw/zinc/81/70/31/1075817031.db2.gz UWGJRMGQYNOGNN-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)n1 ZINC001581829883 1075817153 /nfs/dbraw/zinc/81/71/53/1075817153.db2.gz UWHCBIIZRQSDNC-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)n1 ZINC001581829884 1075817009 /nfs/dbraw/zinc/81/70/09/1075817009.db2.gz UWHCBIIZRQSDNC-VIFPVBQESA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)n1 ZINC001581829886 1075817114 /nfs/dbraw/zinc/81/71/14/1075817114.db2.gz UWTZIUMPDIDRSQ-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)n1 ZINC001581829887 1075817425 /nfs/dbraw/zinc/81/74/25/1075817425.db2.gz UWTZIUMPDIDRSQ-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1N ZINC001581829930 1075817435 /nfs/dbraw/zinc/81/74/35/1075817435.db2.gz WNCYXGAUJLVBIV-SECBINFHSA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1N ZINC001581829931 1075817445 /nfs/dbraw/zinc/81/74/45/1075817445.db2.gz WNCYXGAUJLVBIV-VIFPVBQESA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581829935 1075817417 /nfs/dbraw/zinc/81/74/17/1075817417.db2.gz WTEKYWXDBKFNOY-UHFFFAOYSA-N 0 0 383.420 -1.058 20 0 GAADRN Cn1ncc(C(=O)NCCN2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)n1 ZINC001581829967 1075817428 /nfs/dbraw/zinc/81/74/28/1075817428.db2.gz YFIALVRNOOZNAJ-UHFFFAOYSA-N 0 0 384.408 -1.663 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCCO2)n1 ZINC001581829977 1075817439 /nfs/dbraw/zinc/81/74/39/1075817439.db2.gz YQTINNABVBJSKM-JTQLQIEISA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCCO2)n1 ZINC001581829978 1075817515 /nfs/dbraw/zinc/81/75/15/1075817515.db2.gz YQTINNABVBJSKM-SNVBAGLBSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1ncc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1N ZINC001581830014 1075817431 /nfs/dbraw/zinc/81/74/31/1075817431.db2.gz ZXRLMURAJLOTCS-SECBINFHSA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1N ZINC001581830015 1075817374 /nfs/dbraw/zinc/81/73/74/1075817374.db2.gz ZXRLMURAJLOTCS-VIFPVBQESA-N 0 0 385.392 -1.392 20 0 GAADRN Cn1ncc(CCC(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)n1 ZINC001581830231 1075817419 /nfs/dbraw/zinc/81/74/19/1075817419.db2.gz LUGJKIPXHFBHIO-UHFFFAOYSA-N 0 0 387.408 -1.349 20 0 GAADRN Cn1ncc(CCC(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)n1 ZINC001581830450 1075817422 /nfs/dbraw/zinc/81/74/22/1075817422.db2.gz XDSYTFDVZVDAJE-UHFFFAOYSA-N 0 0 387.408 -1.349 20 0 GAADRN Cn1ncc(CCC(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)n1 ZINC001581830477 1075817493 /nfs/dbraw/zinc/81/74/93/1075817493.db2.gz YLHSIOFYYIWHJC-UHFFFAOYSA-N 0 0 387.408 -1.349 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001581831625 1075817725 /nfs/dbraw/zinc/81/77/25/1075817725.db2.gz CCYZTXJNTGPSGG-PJXYFTJBSA-N 0 0 381.404 -1.031 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581831652 1075817807 /nfs/dbraw/zinc/81/78/07/1075817807.db2.gz DQTWGWUXXGRDGZ-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001581831663 1075817916 /nfs/dbraw/zinc/81/79/16/1075817916.db2.gz DZPKRNXQKHNOOM-NEPJUHHUSA-N 0 0 385.392 -1.916 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001581831664 1075817956 /nfs/dbraw/zinc/81/79/56/1075817956.db2.gz DZPKRNXQKHNOOM-VXGBXAGGSA-N 0 0 385.392 -1.916 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001581831682 1075818000 /nfs/dbraw/zinc/81/80/00/1075818000.db2.gz FVNBKUYOMYEXSU-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001581831683 1075817751 /nfs/dbraw/zinc/81/77/51/1075817751.db2.gz FVNBKUYOMYEXSU-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)n1 ZINC001581831858 1075817936 /nfs/dbraw/zinc/81/79/36/1075817936.db2.gz KFWKXPBCXFGXAH-HBYGRHMLSA-N 0 0 381.404 -1.031 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)n1 ZINC001581831873 1075817826 /nfs/dbraw/zinc/81/78/26/1075817826.db2.gz KWYMOIOFGCTLKT-NEPJUHHUSA-N 0 0 385.392 -1.916 20 0 GAADRN 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Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)n1 ZINC001581831937 1075817894 /nfs/dbraw/zinc/81/78/94/1075817894.db2.gz OHDCJOZFZVXOHH-ZIAGYGMSSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581831982 1075817720 /nfs/dbraw/zinc/81/77/20/1075817720.db2.gz QDLSBXQYBUCKJR-OCCSQVGLSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001581832073 1075817845 /nfs/dbraw/zinc/81/78/45/1075817845.db2.gz UXUSPLZBYVXIJZ-NEPJUHHUSA-N 0 0 385.392 -1.916 20 0 GAADRN Cn1ncc(CCC(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)n1 ZINC001581832074 1075817708 /nfs/dbraw/zinc/81/77/08/1075817708.db2.gz UXUSPLZBYVXIJZ-VXGBXAGGSA-N 0 0 385.392 -1.916 20 0 GAADRN Cn1ncc(CN2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n1 ZINC001581832214 1075817973 /nfs/dbraw/zinc/81/79/73/1075817973.db2.gz AJPALWXIHUZWDS-UHFFFAOYSA-N 0 0 385.436 -1.129 20 0 GAADRN Cn1ncc(CN2CCN(CCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 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Cn1nccc1CCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001581838330 1075819506 /nfs/dbraw/zinc/81/95/06/1075819506.db2.gz RYXKONHCSCXXGW-KGLIPLIRSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1nccc1CCC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581838333 1075819521 /nfs/dbraw/zinc/81/95/21/1075819521.db2.gz RZZUUJRNNFGDRF-JTQLQIEISA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581838334 1075819466 /nfs/dbraw/zinc/81/94/66/1075819466.db2.gz RZZUUJRNNFGDRF-SNVBAGLBSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581838388 1075819359 /nfs/dbraw/zinc/81/93/59/1075819359.db2.gz USJSXHPBPYACIY-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1nccc1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001581838389 1075819439 /nfs/dbraw/zinc/81/94/39/1075819439.db2.gz USJSXHPBPYACIY-OLZOCXBDSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1nccc1CCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581838468 1075819286 /nfs/dbraw/zinc/81/92/86/1075819286.db2.gz WXZGROCDIMYNPI-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581838469 1075819480 /nfs/dbraw/zinc/81/94/80/1075819480.db2.gz WXZGROCDIMYNPI-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581838470 1075819528 /nfs/dbraw/zinc/81/95/28/1075819528.db2.gz WYHCARHXPWGROR-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581838471 1075819514 /nfs/dbraw/zinc/81/95/14/1075819514.db2.gz WYHCARHXPWGROR-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581838488 1075819498 /nfs/dbraw/zinc/81/94/98/1075819498.db2.gz XIVWEESWWZAEOM-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1nccc1CCC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581838623 1075819299 /nfs/dbraw/zinc/81/92/99/1075819299.db2.gz YGVRZRHGQNQMQX-GFCCVEGCSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581838624 1075819387 /nfs/dbraw/zinc/81/93/87/1075819387.db2.gz YGVRZRHGQNQMQX-LBPRGKRZSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581838633 1075819490 /nfs/dbraw/zinc/81/94/90/1075819490.db2.gz YWVMEMFTIDSKTL-LLVKDONJSA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CCC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581838634 1075819405 /nfs/dbraw/zinc/81/94/05/1075819405.db2.gz YWVMEMFTIDSKTL-NSHDSACASA-N 0 0 387.404 -1.232 20 0 GAADRN Cn1nccc1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581838643 1075819538 /nfs/dbraw/zinc/81/95/38/1075819538.db2.gz ZNBXPSHHINZCFN-UHFFFAOYSA-N 0 0 385.388 -1.526 20 0 GAADRN Cn1nccc1COCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581839506 1075819329 /nfs/dbraw/zinc/81/93/29/1075819329.db2.gz GNHHZPSBDTUGFF-KGLIPLIRSA-N 0 0 399.415 -1.122 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001581839666 1075819874 /nfs/dbraw/zinc/81/98/74/1075819874.db2.gz LARWDISSUGAJKM-JTQLQIEISA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001581839667 1075819681 /nfs/dbraw/zinc/81/96/81/1075819681.db2.gz LARWDISSUGAJKM-SNVBAGLBSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O ZINC001581839712 1075819885 /nfs/dbraw/zinc/81/98/85/1075819885.db2.gz MOVYRLIFDHNPPI-KGLIPLIRSA-N 0 0 399.415 -1.122 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001581839800 1075819910 /nfs/dbraw/zinc/81/99/10/1075819910.db2.gz QFLKNRFETMXWBP-LLVKDONJSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001581839801 1075819859 /nfs/dbraw/zinc/81/98/59/1075819859.db2.gz QFLKNRFETMXWBP-NSHDSACASA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001581839860 1075819773 /nfs/dbraw/zinc/81/97/73/1075819773.db2.gz TVDGRJOXSANLTG-JTQLQIEISA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001581839861 1075819842 /nfs/dbraw/zinc/81/98/42/1075819842.db2.gz TVDGRJOXSANLTG-SNVBAGLBSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001581839898 1075819740 /nfs/dbraw/zinc/81/97/40/1075819740.db2.gz VPYKYWLYCSJLSP-LLVKDONJSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001581839899 1075819891 /nfs/dbraw/zinc/81/98/91/1075819891.db2.gz VPYKYWLYCSJLSP-NSHDSACASA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001581839961 1075819723 /nfs/dbraw/zinc/81/97/23/1075819723.db2.gz YEPDCDZQGJAEKR-JTQLQIEISA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001581839962 1075819867 /nfs/dbraw/zinc/81/98/67/1075819867.db2.gz YEPDCDZQGJAEKR-SNVBAGLBSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001581840002 1075819810 /nfs/dbraw/zinc/81/98/10/1075819810.db2.gz ZZJMBCVJPKRHNW-LLVKDONJSA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1COCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001581840003 1075819710 /nfs/dbraw/zinc/81/97/10/1075819710.db2.gz ZZJMBCVJPKRHNW-NSHDSACASA-N 0 0 388.392 -1.504 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581840161 1075819791 /nfs/dbraw/zinc/81/97/91/1075819791.db2.gz LKFZIVGQFSEJNG-VXGBXAGGSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581840223 1075820177 /nfs/dbraw/zinc/82/01/77/1075820177.db2.gz NZDURXWACSNBBB-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581840224 1075820298 /nfs/dbraw/zinc/82/02/98/1075820298.db2.gz NZDURXWACSNBBB-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581840374 1075820231 /nfs/dbraw/zinc/82/02/31/1075820231.db2.gz RTZDPJRPQRBEHT-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581840375 1075820152 /nfs/dbraw/zinc/82/01/52/1075820152.db2.gz RTZDPJRPQRBEHT-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001581840617 1075820247 /nfs/dbraw/zinc/82/02/47/1075820247.db2.gz ZOEGDDHRCAVTPC-CHWSQXEVSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nccc1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581840621 1075820201 /nfs/dbraw/zinc/82/02/01/1075820201.db2.gz ZOEGDDHRCAVTPC-OLZOCXBDSA-N 0 0 384.404 -1.311 20 0 GAADRN Cn1nnc(C(=O)N2CC3(C2)CCN(C(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)n1 ZINC001581840706 1075820124 /nfs/dbraw/zinc/82/01/24/1075820124.db2.gz GEDOBBXKEOMEQB-UHFFFAOYSA-N 0 0 383.376 -1.293 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)n1 ZINC001581840730 1075820096 /nfs/dbraw/zinc/82/00/96/1075820096.db2.gz GZOXMPQVPHVVQT-JTQLQIEISA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)n1 ZINC001581840731 1075820280 /nfs/dbraw/zinc/82/02/80/1075820280.db2.gz GZOXMPQVPHVVQT-SNVBAGLBSA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1ncnc1COCC(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581840738 1075820312 /nfs/dbraw/zinc/82/03/12/1075820312.db2.gz HJKOQRIJXCFJEB-UHFFFAOYSA-N 0 0 386.376 -1.519 20 0 GAADRN Cn1nnc(C(=O)N(CCO)CCNc2ncc(-c3nn[nH]n3)cc2F)n1 ZINC001581840772 1075820144 /nfs/dbraw/zinc/82/01/44/1075820144.db2.gz IJALPMVDVADSNK-UHFFFAOYSA-N 0 0 377.344 -1.529 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)C2)n1 ZINC001581840886 1075820085 /nfs/dbraw/zinc/82/00/85/1075820085.db2.gz NTJZLAAIRWFUDX-JTQLQIEISA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C(C)(C)C2)n1 ZINC001581840887 1075820190 /nfs/dbraw/zinc/82/01/90/1075820190.db2.gz NTJZLAAIRWFUDX-SNVBAGLBSA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)C2)n1 ZINC001581840904 1075820165 /nfs/dbraw/zinc/82/01/65/1075820165.db2.gz OALWGOCJYQKGBJ-JTQLQIEISA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)C2)n1 ZINC001581840905 1075820114 /nfs/dbraw/zinc/82/01/14/1075820114.db2.gz OALWGOCJYQKGBJ-SNVBAGLBSA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1ncnc1COCC(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581841003 1075820134 /nfs/dbraw/zinc/82/01/34/1075820134.db2.gz RQLASBUFJMDMBU-UHFFFAOYSA-N 0 0 386.376 -1.519 20 0 GAADRN Cn1ncnc1COCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581841066 1075820216 /nfs/dbraw/zinc/82/02/16/1075820216.db2.gz UMDCTCUAZAIKRW-UHFFFAOYSA-N 0 0 386.376 -1.519 20 0 GAADRN Cn1nnc(C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[nH]n4)[nH]2)C3)n1 ZINC001581841344 1075820641 /nfs/dbraw/zinc/82/06/41/1075820641.db2.gz XNQIMUWXSBSTNH-UHFFFAOYSA-N 0 0 383.376 -1.293 20 0 GAADRN Cn1nnc(C(=O)NC2(CO)CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC001581842037 1075820463 /nfs/dbraw/zinc/82/04/63/1075820463.db2.gz BJHHDWOUXNTDEZ-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)NC2(CCO)CN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001581842041 1075820451 /nfs/dbraw/zinc/82/04/51/1075820451.db2.gz BKNOBQNQIOHPDB-UHFFFAOYSA-N 0 0 384.404 -1.243 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)n1 ZINC001581842042 1075820439 /nfs/dbraw/zinc/82/04/39/1075820439.db2.gz BNJISOKAGILDGP-NXEZZACHSA-N 0 0 389.355 -1.706 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)n1 ZINC001581842043 1075820573 /nfs/dbraw/zinc/82/05/73/1075820573.db2.gz BNJISOKAGILDGP-UWVGGRQHSA-N 0 0 389.355 -1.706 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)n1 ZINC001581842044 1075820555 /nfs/dbraw/zinc/82/05/55/1075820555.db2.gz BNJISOKAGILDGP-VHSXEESVSA-N 0 0 389.355 -1.706 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)n1 ZINC001581842045 1075820592 /nfs/dbraw/zinc/82/05/92/1075820592.db2.gz BNJISOKAGILDGP-ZJUUUORDSA-N 0 0 389.355 -1.706 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[nH]n2)C3)n1 ZINC001581842066 1075820516 /nfs/dbraw/zinc/82/05/16/1075820516.db2.gz BTPKTFSLHSLTEU-AEJSXWLSSA-N 0 0 382.392 -1.033 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[nH]n2)C3)n1 ZINC001581842067 1075820544 /nfs/dbraw/zinc/82/05/44/1075820544.db2.gz BTPKTFSLHSLTEU-GUBZILKMSA-N 0 0 382.392 -1.033 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)n1 ZINC001581842090 1075820623 /nfs/dbraw/zinc/82/06/23/1075820623.db2.gz CPHBDCUXGRVMNL-PSLIRLAXSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001581842092 1075820499 /nfs/dbraw/zinc/82/04/99/1075820499.db2.gz CPSPZSYICTVBMG-LDYMZIIASA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@@]3(C)C2)n1 ZINC001581842101 1075820914 /nfs/dbraw/zinc/82/09/14/1075820914.db2.gz CSVAWKFQDLYTHO-PSLIRLAXSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)n1 ZINC001581842127 1075820968 /nfs/dbraw/zinc/82/09/68/1075820968.db2.gz DIZNEQFILPDORL-KKZNHRDASA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)n1 ZINC001581842128 1075820961 /nfs/dbraw/zinc/82/09/61/1075820961.db2.gz DIZNEQFILPDORL-YWVKMMECSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)NC[C@@]2(C)CN(c3ncccc3-c3nn[nH]n3)CCO2)n1 ZINC001581842175 1075820836 /nfs/dbraw/zinc/82/08/36/1075820836.db2.gz FNHIAUNCFJITQY-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@]2(C)CN(c3ncccc3-c3nn[nH]n3)CCO2)n1 ZINC001581842176 1075820891 /nfs/dbraw/zinc/82/08/91/1075820891.db2.gz FNHIAUNCFJITQY-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)C3)n1 ZINC001581842190 1075820977 /nfs/dbraw/zinc/82/09/77/1075820977.db2.gz FWCVSCFGJAGTNW-GGVZMXCHSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)C3)n1 ZINC001581842191 1075820877 /nfs/dbraw/zinc/82/08/77/1075820877.db2.gz FWCVSCFGJAGTNW-ONOSFVFSSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[nH]n4)nn2)C3)n1 ZINC001581842202 1075820948 /nfs/dbraw/zinc/82/09/48/1075820948.db2.gz GLUBRZSLCPUDHL-AEJSXWLSSA-N 0 0 382.392 -1.033 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[nH]n4)nn2)C3)n1 ZINC001581842203 1075820937 /nfs/dbraw/zinc/82/09/37/1075820937.db2.gz GLUBRZSLCPUDHL-GUBZILKMSA-N 0 0 382.392 -1.033 20 0 GAADRN Cn1nnc(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581842208 1075820908 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HCRCBKCAKPZFIW-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581842233 1075820900 /nfs/dbraw/zinc/82/09/00/1075820900.db2.gz HIIVCDDJXGZVON-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@]2(C)CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)n1 ZINC001581842234 1075820847 /nfs/dbraw/zinc/82/08/47/1075820847.db2.gz HIIVCDDJXGZVON-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nn[nH]n4)cn2)CC3)n1 ZINC001581842242 1075820988 /nfs/dbraw/zinc/82/09/88/1075820988.db2.gz HOJZTIJQKMZGFM-JTQLQIEISA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nn[nH]n4)cn2)CC3)n1 ZINC001581842243 1075821185 /nfs/dbraw/zinc/82/11/85/1075821185.db2.gz HOJZTIJQKMZGFM-SNVBAGLBSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)n1 ZINC001581842268 1075821152 /nfs/dbraw/zinc/82/11/52/1075821152.db2.gz IOFLJXDXIHXWMO-GZMMTYOYSA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842305 1075821210 /nfs/dbraw/zinc/82/12/10/1075821210.db2.gz JPKMELNEEKSYDN-NXEZZACHSA-N 0 0 390.433 -1.183 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842306 1075821225 /nfs/dbraw/zinc/82/12/25/1075821225.db2.gz JPKMELNEEKSYDN-UWVGGRQHSA-N 0 0 390.433 -1.183 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581842307 1075821299 /nfs/dbraw/zinc/82/12/99/1075821299.db2.gz JPKMELNEEKSYDN-VHSXEESVSA-N 0 0 390.433 -1.183 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581842308 1075821264 /nfs/dbraw/zinc/82/12/64/1075821264.db2.gz JPKMELNEEKSYDN-ZJUUUORDSA-N 0 0 390.433 -1.183 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@@]3(C)C2)n1 ZINC001581842309 1075821327 /nfs/dbraw/zinc/82/13/27/1075821327.db2.gz JPMAYQGBQMZDQO-PSLIRLAXSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]3C2)n1 ZINC001581842321 1075821128 /nfs/dbraw/zinc/82/11/28/1075821128.db2.gz KBHXBECHFQUQCG-DTORHVGOSA-N 0 0 383.376 -1.438 20 0 GAADRN Cn1nnc(C(=O)NC2(CO)CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC001581842327 1075821342 /nfs/dbraw/zinc/82/13/42/1075821342.db2.gz KGEWDDCXFYIXNI-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)NC2(CO)CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)n1 ZINC001581842379 1075821514 /nfs/dbraw/zinc/82/15/14/1075821514.db2.gz LXSNHGKRPJALPK-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)NC2(CCO)CN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581842401 1075821491 /nfs/dbraw/zinc/82/14/91/1075821491.db2.gz MNIAQYPNQNYWGG-UHFFFAOYSA-N 0 0 384.404 -1.243 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)n1 ZINC001581842420 1075821590 /nfs/dbraw/zinc/82/15/90/1075821590.db2.gz NBFMIQYMIJTBGI-JTQLQIEISA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)n1 ZINC001581842421 1075821470 /nfs/dbraw/zinc/82/14/70/1075821470.db2.gz NBFMIQYMIJTBGI-SNVBAGLBSA-N 0 0 385.392 -1.001 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[nH]n4)nn2)CC3)n1 ZINC001581842428 1075821647 /nfs/dbraw/zinc/82/16/47/1075821647.db2.gz NDOVKNOLKBDMGN-JTQLQIEISA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[nH]n4)nn2)CC3)n1 ZINC001581842429 1075821530 /nfs/dbraw/zinc/82/15/30/1075821530.db2.gz NDOVKNOLKBDMGN-SNVBAGLBSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H](CO)NCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842455 1075821475 /nfs/dbraw/zinc/82/14/75/1075821475.db2.gz NUNXGDXVQSUSFP-JTQLQIEISA-N 0 0 376.356 -1.590 20 0 GAADRN Cn1nnc(C(=O)NC[C@H](CO)NCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842456 1075821687 /nfs/dbraw/zinc/82/16/87/1075821687.db2.gz NUNXGDXVQSUSFP-SNVBAGLBSA-N 0 0 376.356 -1.590 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nn[nH]n5)n4)C[C@H]3C2)n1 ZINC001581842463 1075821501 /nfs/dbraw/zinc/82/15/01/1075821501.db2.gz ODNODYQIKULEQR-ZJUUUORDSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[nH]n4)c2)C3)n1 ZINC001581842465 1075821481 /nfs/dbraw/zinc/82/14/81/1075821481.db2.gz OEJRQHPGSMLVNS-YWVKMMECSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842468 1075821609 /nfs/dbraw/zinc/82/16/09/1075821609.db2.gz OIABNARZUUAZNH-JTQLQIEISA-N 0 0 376.356 -1.590 20 0 GAADRN Cn1nnc(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842469 1075821661 /nfs/dbraw/zinc/82/16/61/1075821661.db2.gz OIABNARZUUAZNH-SNVBAGLBSA-N 0 0 376.356 -1.590 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]3C2)n1 ZINC001581842487 1075821629 /nfs/dbraw/zinc/82/16/29/1075821629.db2.gz ORMHHOMBZALIFE-ZJUUUORDSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)n1 ZINC001581842540 1075821967 /nfs/dbraw/zinc/82/19/67/1075821967.db2.gz PZGAFUPZYJPSRM-LDYMZIIASA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[nH]n2)CC3)n1 ZINC001581842548 1075821896 /nfs/dbraw/zinc/82/18/96/1075821896.db2.gz QGHMUVUQROSPGH-SECBINFHSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[nH]n2)CC3)n1 ZINC001581842549 1075821957 /nfs/dbraw/zinc/82/19/57/1075821957.db2.gz QGHMUVUQROSPGH-VIFPVBQESA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)n1 ZINC001581842626 1075822032 /nfs/dbraw/zinc/82/20/32/1075822032.db2.gz SOKVUOZLPBJIMW-GZMMTYOYSA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]3C2)n1 ZINC001581842627 1075822017 /nfs/dbraw/zinc/82/20/17/1075822017.db2.gz SQMOFFICOBWFEO-AOOOYVTPSA-N 0 0 383.376 -1.438 20 0 GAADRN Cn1nnc(C(=O)N[C@@]2(CO)CCCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581842630 1075822012 /nfs/dbraw/zinc/82/20/12/1075822012.db2.gz SVGKTAMBKMTGRZ-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)N[C@]2(CO)CCCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581842631 1075821848 /nfs/dbraw/zinc/82/18/48/1075821848.db2.gz SVGKTAMBKMTGRZ-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)n1 ZINC001581842635 1075821986 /nfs/dbraw/zinc/82/19/86/1075821986.db2.gz SZPIOSZGARDWDS-GZMMTYOYSA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[nH]n4)C[C@H]3C2)n1 ZINC001581842662 1075821862 /nfs/dbraw/zinc/82/18/62/1075821862.db2.gz UPJKYOKZRQLJNG-ZJUUUORDSA-N 0 0 382.392 -1.221 20 0 GAADRN Cn1nnc(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]3C2)n1 ZINC001581842674 1075821879 /nfs/dbraw/zinc/82/18/79/1075821879.db2.gz VCMPQTUFJCEBNI-ZJUUUORDSA-N 0 0 397.403 -1.047 20 0 GAADRN Cn1nnc(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nn[nH]n4)nc3)CCO2)n1 ZINC001581842716 1075821915 /nfs/dbraw/zinc/82/19/15/1075821915.db2.gz WKVHLVMKRFEYGV-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@]2(C)CN(c3ccc(-c4nn[nH]n4)nc3)CCO2)n1 ZINC001581842717 1075822024 /nfs/dbraw/zinc/82/20/24/1075822024.db2.gz WKVHLVMKRFEYGV-OAHLLOKOSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nc3)C2)n1 ZINC001581842743 1075821993 /nfs/dbraw/zinc/82/19/93/1075821993.db2.gz XDDQJBLFGVEYIU-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)nc3)C2)n1 ZINC001581842744 1075822029 /nfs/dbraw/zinc/82/20/29/1075822029.db2.gz XDDQJBLFGVEYIU-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581842776 1075822141 /nfs/dbraw/zinc/82/21/41/1075822141.db2.gz YCZFTGRYVIKKBM-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581842777 1075822206 /nfs/dbraw/zinc/82/22/06/1075822206.db2.gz YCZFTGRYVIKKBM-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nnc(C(=O)NCC2(O)CN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001581842869 1075822240 /nfs/dbraw/zinc/82/22/40/1075822240.db2.gz AHAQEKLWZYKZDQ-UHFFFAOYSA-N 0 0 388.367 -1.494 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)n1 ZINC001581842909 1075822287 /nfs/dbraw/zinc/82/22/87/1075822287.db2.gz BMPOYGNAFAQUKT-RKDXNWHRSA-N 0 0 375.328 -2.096 20 0 GAADRN Cn1nnc(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581843004 1075822327 /nfs/dbraw/zinc/82/23/27/1075822327.db2.gz CPQPDYKWQFJTOF-UHFFFAOYSA-N 0 0 388.367 -1.494 20 0 GAADRN Cn1nnc(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001581843019 1075822356 /nfs/dbraw/zinc/82/23/56/1075822356.db2.gz CWKVRRMNWSBIAJ-UHFFFAOYSA-N 0 0 388.367 -1.494 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2O)n1 ZINC001581843043 1075822369 /nfs/dbraw/zinc/82/23/69/1075822369.db2.gz DSZOCOYYKQOPKR-VXGBXAGGSA-N 0 0 388.367 -1.496 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001581843334 1075822177 /nfs/dbraw/zinc/82/21/77/1075822177.db2.gz FJQIMVISIVIXAB-KKZNHRDASA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001581843340 1075822222 /nfs/dbraw/zinc/82/22/22/1075822222.db2.gz FLZALEBYZWOARQ-OWUUHHOZSA-N 0 0 383.376 -1.534 20 0 GAADRN Cn1nnc(C(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCCO2)n1 ZINC001581843400 1075822310 /nfs/dbraw/zinc/82/23/10/1075822310.db2.gz GTNRUGWTBFATQF-JTQLQIEISA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCCO2)n1 ZINC001581843405 1075822258 /nfs/dbraw/zinc/82/22/58/1075822258.db2.gz GTNRUGWTBFATQF-SNVBAGLBSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)CCO2)n1 ZINC001581843688 1075822538 /nfs/dbraw/zinc/82/25/38/1075822538.db2.gz LGTXMHBHKNWPIK-SECBINFHSA-N 0 0 389.355 -1.441 20 0 GAADRN Cn1nnc(C(=O)NC[C@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)CCO2)n1 ZINC001581843689 1075822629 /nfs/dbraw/zinc/82/26/29/1075822629.db2.gz LGTXMHBHKNWPIK-VIFPVBQESA-N 0 0 389.355 -1.441 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCCO2)n1 ZINC001581843699 1075822496 /nfs/dbraw/zinc/82/24/96/1075822496.db2.gz LRUUDMNETOFPSH-LLVKDONJSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCCO2)n1 ZINC001581843700 1075822599 /nfs/dbraw/zinc/82/25/99/1075822599.db2.gz LRUUDMNETOFPSH-NSHDSACASA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3Cl)C[C@H]2O)n1 ZINC001581843726 1075822521 /nfs/dbraw/zinc/82/25/21/1075822521.db2.gz NBULMSNYZZJRAW-RKDXNWHRSA-N 0 0 391.783 -1.582 20 0 GAADRN Cn1nnc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)n1 ZINC001581843738 1075822470 /nfs/dbraw/zinc/82/24/70/1075822470.db2.gz NRQBBVYSTGZYPT-OWUUHHOZSA-N 0 0 383.376 -1.534 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581843825 1075822571 /nfs/dbraw/zinc/82/25/71/1075822571.db2.gz RAQUYSJOWJDPQK-NEPJUHHUSA-N 0 0 388.367 -1.496 20 0 GAADRN 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ZINC001581843871 1075822620 /nfs/dbraw/zinc/82/26/20/1075822620.db2.gz UCVWYACNVVONGT-AWEZNQCLSA-N 0 0 389.355 -1.705 20 0 GAADRN Cn1nnc(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581843872 1075822484 /nfs/dbraw/zinc/82/24/84/1075822484.db2.gz UCVWYACNVVONGT-CQSZACIVSA-N 0 0 389.355 -1.705 20 0 GAADRN Cn1nnc(C(=O)NCC2(O)CN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001581843885 1075822977 /nfs/dbraw/zinc/82/29/77/1075822977.db2.gz UYBQLXQFWILALJ-UHFFFAOYSA-N 0 0 388.367 -1.494 20 0 GAADRN Cn1nnc(C(=O)NC[C@@]2(O)CCN(c3cccc(F)c3-c3nn[nH]n3)C2)n1 ZINC001581843889 1075822968 /nfs/dbraw/zinc/82/29/68/1075822968.db2.gz VFWWVDOUUKFBHE-HNNXBMFYSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1nnc(C(=O)NC[C@]2(O)CCN(c3cccc(F)c3-c3nn[nH]n3)C2)n1 ZINC001581843890 1075822957 /nfs/dbraw/zinc/82/29/57/1075822957.db2.gz VFWWVDOUUKFBHE-OAHLLOKOSA-N 0 0 388.367 -1.100 20 0 GAADRN Cn1nnc(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581843918 1075822822 /nfs/dbraw/zinc/82/28/22/1075822822.db2.gz 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Cn1nnc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nc3)CCCO2)n1 ZINC001581844059 1075822987 /nfs/dbraw/zinc/82/29/87/1075822987.db2.gz XEBDPXJGSJGHON-NSHDSACASA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nnc(C(=O)NCC2(O)CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844083 1075822840 /nfs/dbraw/zinc/82/28/40/1075822840.db2.gz YVLMAVSHWKNLRU-UHFFFAOYSA-N 0 0 388.367 -1.494 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581844087 1075822935 /nfs/dbraw/zinc/82/29/35/1075822935.db2.gz YWZNQPNEJLGKMT-VXGBXAGGSA-N 0 0 388.367 -1.496 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581844093 1075823031 /nfs/dbraw/zinc/82/30/31/1075823031.db2.gz ZGNVTKBAHDXUIC-BDAKNGLRSA-N 0 0 376.406 -1.573 20 0 GAADRN Cn1nnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581844094 1075822875 /nfs/dbraw/zinc/82/28/75/1075822875.db2.gz ZGNVTKBAHDXUIC-RKDXNWHRSA-N 0 0 376.406 -1.573 20 0 GAADRN 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/nfs/dbraw/zinc/82/36/44/1075823644.db2.gz STHMAAWNTANMMB-HNNXBMFYSA-N 0 0 382.392 -1.077 20 0 GAADRN Cn1nnc(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[nH]n5)nn4)C3)C2)n1 ZINC001581844432 1075823551 /nfs/dbraw/zinc/82/35/51/1075823551.db2.gz STHMAAWNTANMMB-OAHLLOKOSA-N 0 0 382.392 -1.077 20 0 GAADRN Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)n1 ZINC001581844434 1075823924 /nfs/dbraw/zinc/82/39/24/1075823924.db2.gz TWZPPZHWPIWIGR-LDYMZIIASA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)n1 ZINC001581844457 1075823911 /nfs/dbraw/zinc/82/39/11/1075823911.db2.gz UVSHWUJUWQYFBQ-LDYMZIIASA-N 0 0 383.376 -1.295 20 0 GAADRN Cn1nnc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[nH]n4)nc3)CC2)n1 ZINC001581844458 1075823881 /nfs/dbraw/zinc/82/38/81/1075823881.db2.gz UVVKWOLPQYSAGK-UHFFFAOYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@@H]3C2)n1 ZINC001581844478 1075823986 /nfs/dbraw/zinc/82/39/86/1075823986.db2.gz VTUMVVXVPMIVGB-KOLCDFICSA-N 0 0 397.403 -1.047 20 0 GAADRN Cn1nnc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)n1 ZINC001581844488 1075823872 /nfs/dbraw/zinc/82/38/72/1075823872.db2.gz WIQNYKSYPUANSZ-GXSJLCMTSA-N 0 0 382.392 -1.079 20 0 GAADRN Cn1nnc(C(=O)N2CCO[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581844524 1075823894 /nfs/dbraw/zinc/82/38/94/1075823894.db2.gz XTKFLXWGGOVRDT-SECBINFHSA-N 0 0 389.355 -1.123 20 0 GAADRN Cn1nnc(C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001581844525 1075823887 /nfs/dbraw/zinc/82/38/87/1075823887.db2.gz XTKFLXWGGOVRDT-VIFPVBQESA-N 0 0 389.355 -1.123 20 0 GAADRN Cn1nnc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581844543 1075823864 /nfs/dbraw/zinc/82/38/64/1075823864.db2.gz YOSAZDQBVXGHAY-HNNXBMFYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nnc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[nH]n4)cn3)C2)n1 ZINC001581844544 1075824019 /nfs/dbraw/zinc/82/40/19/1075824019.db2.gz YOSAZDQBVXGHAY-OAHLLOKOSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nnc(CN2CCC(CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001581844578 1075823966 /nfs/dbraw/zinc/82/39/66/1075823966.db2.gz ADPPEMMDESDDGK-UHFFFAOYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n1 ZINC001581844592 1075823996 /nfs/dbraw/zinc/82/39/96/1075823996.db2.gz APZZZTHBHLCBOZ-UHFFFAOYSA-N 0 0 386.424 -1.734 20 0 GAADRN Cn1nnc(CN[C@@]2(CO)CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844631 1075823951 /nfs/dbraw/zinc/82/39/51/1075823951.db2.gz CPVYFQIIVASRFY-HNNXBMFYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN[C@]2(CO)CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844632 1075823937 /nfs/dbraw/zinc/82/39/37/1075823937.db2.gz CPVYFQIIVASRFY-OAHLLOKOSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CNCC2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCOCC2)n1 ZINC001581844639 1075824197 /nfs/dbraw/zinc/82/41/97/1075824197.db2.gz CTNYRAAKEIOVNC-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cn1nnc(CN2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844649 1075824390 /nfs/dbraw/zinc/82/43/90/1075824390.db2.gz DPMZWHUBBHFUAJ-LLVKDONJSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844650 1075824348 /nfs/dbraw/zinc/82/43/48/1075824348.db2.gz DPMZWHUBBHFUAJ-NSHDSACASA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCO[C@@](C)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844669 1075824151 /nfs/dbraw/zinc/82/41/51/1075824151.db2.gz FHVFCIHLIMEAGH-HNNXBMFYSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCO[C@](C)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844670 1075824413 /nfs/dbraw/zinc/82/44/13/1075824413.db2.gz FHVFCIHLIMEAGH-OAHLLOKOSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844673 1075824160 /nfs/dbraw/zinc/82/41/60/1075824160.db2.gz FJXXNJKTQVFLII-HNNXBMFYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844674 1075824306 /nfs/dbraw/zinc/82/43/06/1075824306.db2.gz FJXXNJKTQVFLII-OAHLLOKOSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CNC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCCO2)n1 ZINC001581844692 1075824250 /nfs/dbraw/zinc/82/42/50/1075824250.db2.gz GCHJAPIWSNDIEY-JTQLQIEISA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CNC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCCO2)n1 ZINC001581844693 1075824267 /nfs/dbraw/zinc/82/42/67/1075824267.db2.gz GCHJAPIWSNDIEY-SNVBAGLBSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CC3(C2)CN(C(=O)c2c[nH]c(-c4nn[nH]n4)c2)CCO3)n1 ZINC001581844726 1075824378 /nfs/dbraw/zinc/82/43/78/1075824378.db2.gz HKEAWBZVQFLIJF-UHFFFAOYSA-N 0 0 385.392 -1.555 20 0 GAADRN Cn1nnc(CN2CCO[C@@](C)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581844761 1075824322 /nfs/dbraw/zinc/82/43/22/1075824322.db2.gz IWXFJZHIMMFFDD-HNNXBMFYSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCO[C@](C)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581844762 1075824335 /nfs/dbraw/zinc/82/43/35/1075824335.db2.gz IWXFJZHIMMFFDD-OAHLLOKOSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CC3(C2)CN(C(=O)c2ccc(-c4nn[nH]n4)[nH]2)CCO3)n1 ZINC001581844803 1075824365 /nfs/dbraw/zinc/82/43/65/1075824365.db2.gz KZFXLERAUCXQGW-UHFFFAOYSA-N 0 0 385.392 -1.555 20 0 GAADRN Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[nH]n4)n2)C3)n1 ZINC001581844814 1075824144 /nfs/dbraw/zinc/82/41/44/1075824144.db2.gz LICFEBHGUKNPAH-VFZGTOFNSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(CN2CCO[C@@](C)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844816 1075824170 /nfs/dbraw/zinc/82/41/70/1075824170.db2.gz LJSHIBBNJFGEOY-HNNXBMFYSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCO[C@](C)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844817 1075824221 /nfs/dbraw/zinc/82/42/21/1075824221.db2.gz LJSHIBBNJFGEOY-OAHLLOKOSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CNC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCCO2)n1 ZINC001581844822 1075824183 /nfs/dbraw/zinc/82/41/83/1075824183.db2.gz LPUOYBODXOPVSX-LLVKDONJSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CNC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCCO2)n1 ZINC001581844823 1075824403 /nfs/dbraw/zinc/82/44/03/1075824403.db2.gz LPUOYBODXOPVSX-NSHDSACASA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CNCC2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n1 ZINC001581844839 1075824284 /nfs/dbraw/zinc/82/42/84/1075824284.db2.gz MMWSZVTYFXZPJO-UHFFFAOYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN2CCN(CCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001581844840 1075824234 /nfs/dbraw/zinc/82/42/34/1075824234.db2.gz MPHSTKDDMNAUOR-UHFFFAOYSA-N 0 0 386.424 -1.734 20 0 GAADRN Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)c2cc(-c4nn[nH]n4)c[nH]2)CO3)n1 ZINC001581844854 1075824566 /nfs/dbraw/zinc/82/45/66/1075824566.db2.gz NMTCTYOKSBFMIS-JTQLQIEISA-N 0 0 385.392 -1.508 20 0 GAADRN Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)c2cc(-c4nn[nH]n4)c[nH]2)CO3)n1 ZINC001581844855 1075824705 /nfs/dbraw/zinc/82/47/05/1075824705.db2.gz NMTCTYOKSBFMIS-SNVBAGLBSA-N 0 0 385.392 -1.508 20 0 GAADRN Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[nH]n4)nn2)C3)n1 ZINC001581844908 1075824720 /nfs/dbraw/zinc/82/47/20/1075824720.db2.gz PBUYWWHAHZGNNK-VFZGTOFNSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(CNCC2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n1 ZINC001581844920 1075824581 /nfs/dbraw/zinc/82/45/81/1075824581.db2.gz PUJWIXKOXRLSGO-UHFFFAOYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN[C@@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844921 1075824690 /nfs/dbraw/zinc/82/46/90/1075824690.db2.gz PUKWJBJWQINLQY-HNNXBMFYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN[C@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581844922 1075824657 /nfs/dbraw/zinc/82/46/57/1075824657.db2.gz PUKWJBJWQINLQY-OAHLLOKOSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001581844939 1075824683 /nfs/dbraw/zinc/82/46/83/1075824683.db2.gz QOHAUCBYOTXEMG-GGVZMXCHSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(CN2CC3(C2)CN(C(=O)c2cc(-c4nn[nH]n4)c[nH]2)CCO3)n1 ZINC001581844941 1075824644 /nfs/dbraw/zinc/82/46/44/1075824644.db2.gz QPBPBVFVTNWDDJ-UHFFFAOYSA-N 0 0 385.392 -1.555 20 0 GAADRN Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nn[nH]n4)cn2)C3)n1 ZINC001581844953 1075824746 /nfs/dbraw/zinc/82/47/46/1075824746.db2.gz QXYHEUPAXOZULK-VFZGTOFNSA-N 0 0 382.392 -1.031 20 0 GAADRN Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001581844959 1075824633 /nfs/dbraw/zinc/82/46/33/1075824633.db2.gz RDKCVHCYMLRDQV-YWVKMMECSA-N 0 0 383.376 -1.106 20 0 GAADRN Cn1nnc(CN2CCCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844981 1075824736 /nfs/dbraw/zinc/82/47/36/1075824736.db2.gz SCHSWFHYFGAHHM-LLVKDONJSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001581844982 1075824758 /nfs/dbraw/zinc/82/47/58/1075824758.db2.gz SCHSWFHYFGAHHM-NSHDSACASA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCOCC2)n1 ZINC001581845014 1075824730 /nfs/dbraw/zinc/82/47/30/1075824730.db2.gz UDVVSMODEXPTPC-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cn1nnc(CN2CCC(CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n1 ZINC001581845043 1075824666 /nfs/dbraw/zinc/82/46/66/1075824666.db2.gz UZAPIUOEWJRECZ-UHFFFAOYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCOCC2)n1 ZINC001581845061 1075824549 /nfs/dbraw/zinc/82/45/49/1075824549.db2.gz VJRIGHUHRMHRER-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)n1 ZINC001581845084 1075824696 /nfs/dbraw/zinc/82/46/96/1075824696.db2.gz VUDYAQVLJMDHIV-SECBINFHSA-N 0 0 385.392 -1.508 20 0 GAADRN Cn1nnc(CN2CC3(C2)C[C@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)n1 ZINC001581845086 1075824714 /nfs/dbraw/zinc/82/47/14/1075824714.db2.gz VUDYAQVLJMDHIV-VIFPVBQESA-N 0 0 385.392 -1.508 20 0 GAADRN Cn1nnc(CN2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581845115 1075824605 /nfs/dbraw/zinc/82/46/05/1075824605.db2.gz WOUNMTTUAFNKLN-HNNXBMFYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001581845118 1075824674 /nfs/dbraw/zinc/82/46/74/1075824674.db2.gz WOUNMTTUAFNKLN-OAHLLOKOSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CNCC2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCOCC2)n1 ZINC001581845183 1075824970 /nfs/dbraw/zinc/82/49/70/1075824970.db2.gz XAQNGCITXPWNFZ-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cn1nnc(CNCC2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001581845194 1075825005 /nfs/dbraw/zinc/82/50/05/1075825005.db2.gz XPPNSJZQANDMBS-UHFFFAOYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCOCC2)n1 ZINC001581845198 1075824941 /nfs/dbraw/zinc/82/49/41/1075824941.db2.gz XSVTWKYVCSYAAU-UHFFFAOYSA-N 0 0 387.408 -1.213 20 0 GAADRN Cn1nnc(CN[C@@]2(CO)CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581845238 1075825027 /nfs/dbraw/zinc/82/50/27/1075825027.db2.gz YNHWPCLKRNSFCO-HNNXBMFYSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN[C@]2(CO)CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581845241 1075825111 /nfs/dbraw/zinc/82/51/11/1075825111.db2.gz YNHWPCLKRNSFCO-OAHLLOKOSA-N 0 0 387.408 -1.525 20 0 GAADRN Cn1nnc(CN2CCCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581845325 1075825085 /nfs/dbraw/zinc/82/50/85/1075825085.db2.gz ZSWWEPMRJGEEOD-JTQLQIEISA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001581845327 1075825138 /nfs/dbraw/zinc/82/51/38/1075825138.db2.gz ZSWWEPMRJGEEOD-SNVBAGLBSA-N 0 0 387.408 -1.261 20 0 GAADRN Cn1nnc(CN2CCN(CCNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n1 ZINC001581845329 1075824985 /nfs/dbraw/zinc/82/49/85/1075824985.db2.gz ZSYJMPXMOFLBAU-UHFFFAOYSA-N 0 0 386.424 -1.734 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[nH]n2)C1 ZINC001581845434 1075824959 /nfs/dbraw/zinc/82/49/59/1075824959.db2.gz CPVQHRMPIVAJNI-HNNXBMFYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[nH]n2)C1 ZINC001581845435 1075824923 /nfs/dbraw/zinc/82/49/23/1075824923.db2.gz CPVQHRMPIVAJNI-OAHLLOKOSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nnc2c1C[C@H](C(=O)NCCNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001581845767 1075825042 /nfs/dbraw/zinc/82/50/42/1075825042.db2.gz IIYJLBXVYCPYGC-SECBINFHSA-N 0 0 384.404 -1.026 20 0 GAADRN Cn1nnc2c1C[C@@H](C(=O)NCCNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001581845768 1075824931 /nfs/dbraw/zinc/82/49/31/1075824931.db2.gz IIYJLBXVYCPYGC-VIFPVBQESA-N 0 0 384.404 -1.026 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001581845795 1075825448 /nfs/dbraw/zinc/82/54/48/1075825448.db2.gz JXWFGRIIAKWIIX-HNNXBMFYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001581845796 1075825545 /nfs/dbraw/zinc/82/55/45/1075825545.db2.gz JXWFGRIIAKWIIX-OAHLLOKOSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[nH]n2)CC1 ZINC001581845807 1075825371 /nfs/dbraw/zinc/82/53/71/1075825371.db2.gz KLURIWFJNAGAQL-UHFFFAOYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CCC(O)(CNc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001581845835 1075825427 /nfs/dbraw/zinc/82/54/27/1075825427.db2.gz LIYROPIWNZYYKF-UHFFFAOYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581845843 1075825314 /nfs/dbraw/zinc/82/53/14/1075825314.db2.gz LLBNQKMONLKCGF-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581845844 1075825295 /nfs/dbraw/zinc/82/52/95/1075825295.db2.gz LLBNQKMONLKCGF-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581845865 1075825485 /nfs/dbraw/zinc/82/54/85/1075825485.db2.gz MCIORGWUASPPER-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581845866 1075825498 /nfs/dbraw/zinc/82/54/98/1075825498.db2.gz MCIORGWUASPPER-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581845938 1075825326 /nfs/dbraw/zinc/82/53/26/1075825326.db2.gz OTVAJMBLDYTHNL-HNNXBMFYSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581845939 1075825414 /nfs/dbraw/zinc/82/54/14/1075825414.db2.gz OTVAJMBLDYTHNL-OAHLLOKOSA-N 0 0 385.392 -1.136 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001581845948 1075825385 /nfs/dbraw/zinc/82/53/85/1075825385.db2.gz PCYYOEVDZADXRK-BXKDBHETSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001581845949 1075825438 /nfs/dbraw/zinc/82/54/38/1075825438.db2.gz PCYYOEVDZADXRK-CABZTGNLSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001581845950 1075825399 /nfs/dbraw/zinc/82/53/99/1075825399.db2.gz PCYYOEVDZADXRK-JOYOIKCWSA-N 0 0 386.376 -1.671 20 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Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001581846107 1075825699 /nfs/dbraw/zinc/82/56/99/1075825699.db2.gz WHBFNVDOLFRECU-JOYOIKCWSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001581846108 1075825817 /nfs/dbraw/zinc/82/58/17/1075825817.db2.gz WHBFNVDOLFRECU-SKDRFNHKSA-N 0 0 386.376 -1.671 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846148 1075825785 /nfs/dbraw/zinc/82/57/85/1075825785.db2.gz XVWUDQCEVCDDTF-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846149 1075825836 /nfs/dbraw/zinc/82/58/36/1075825836.db2.gz XVWUDQCEVCDDTF-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581846260 1075825734 /nfs/dbraw/zinc/82/57/34/1075825734.db2.gz BMYUPTXNGAILIM-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581846261 1075825857 /nfs/dbraw/zinc/82/58/57/1075825857.db2.gz BMYUPTXNGAILIM-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846265 1075825723 /nfs/dbraw/zinc/82/57/23/1075825723.db2.gz BTUZLUPFKPJUDA-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581846294 1075825882 /nfs/dbraw/zinc/82/58/82/1075825882.db2.gz CSGBSDLBZMBNBV-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581846295 1075825848 /nfs/dbraw/zinc/82/58/48/1075825848.db2.gz CSGBSDLBZMBNBV-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581846324 1075825827 /nfs/dbraw/zinc/82/58/27/1075825827.db2.gz DXRLLTFGXVGXFK-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581846328 1075825909 /nfs/dbraw/zinc/82/59/09/1075825909.db2.gz FAJZTFZRFUNRLV-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581846329 1075825774 /nfs/dbraw/zinc/82/57/74/1075825774.db2.gz FAJZTFZRFUNRLV-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581846418 1075825760 /nfs/dbraw/zinc/82/57/60/1075825760.db2.gz IMVBNMYUMGZLMO-UHFFFAOYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581846420 1075825711 /nfs/dbraw/zinc/82/57/11/1075825711.db2.gz IOGIHXKMEYPKFA-JTQLQIEISA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581846421 1075825748 /nfs/dbraw/zinc/82/57/48/1075825748.db2.gz IOGIHXKMEYPKFA-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581846429 1075825798 /nfs/dbraw/zinc/82/57/98/1075825798.db2.gz 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Cn1nncc1C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846510 1075826239 /nfs/dbraw/zinc/82/62/39/1075826239.db2.gz LWSVGYPUPXGSII-SNVBAGLBSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581846700 1075826248 /nfs/dbraw/zinc/82/62/48/1075826248.db2.gz VTAAZCMJEFQQIA-HNNXBMFYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581846701 1075826099 /nfs/dbraw/zinc/82/60/99/1075826099.db2.gz VTAAZCMJEFQQIA-OAHLLOKOSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)NC1(CO)CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001581846717 1075826161 /nfs/dbraw/zinc/82/61/61/1075826161.db2.gz WQLSGQUEPIEHAN-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)NC1(CO)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001581846745 1075826118 /nfs/dbraw/zinc/82/61/18/1075826118.db2.gz XXBKEJKKMNHQHK-UHFFFAOYSA-N 0 0 385.392 -1.454 20 0 GAADRN Cn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581846753 1075826265 /nfs/dbraw/zinc/82/62/65/1075826265.db2.gz YBZZFDJZEOVWHV-SECBINFHSA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581846754 1075826191 /nfs/dbraw/zinc/82/61/91/1075826191.db2.gz YBZZFDJZEOVWHV-VIFPVBQESA-N 0 0 386.376 -1.406 20 0 GAADRN Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846839 1075826259 /nfs/dbraw/zinc/82/62/59/1075826259.db2.gz BJPXGTCASHCDMY-HNNXBMFYSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581846840 1075826207 /nfs/dbraw/zinc/82/62/07/1075826207.db2.gz BJPXGTCASHCDMY-OAHLLOKOSA-N 0 0 386.376 -1.670 20 0 GAADRN Cn1nncc1C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001581846887 1075826109 /nfs/dbraw/zinc/82/61/09/1075826109.db2.gz CRHUSPPZIWVKBR-HNNXBMFYSA-N 0 0 385.392 -1.190 20 0 GAADRN Cn1nncc1C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001581846888 1075826253 /nfs/dbraw/zinc/82/62/53/1075826253.db2.gz 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ZINC001582052913 1075853388 /nfs/dbraw/zinc/85/33/88/1075853388.db2.gz JUVCQNITRLJBSP-ATCWAGBWSA-N 0 0 385.432 -1.070 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001582052952 1075853564 /nfs/dbraw/zinc/85/35/64/1075853564.db2.gz KVUCZFPQMGHDMJ-ATCWAGBWSA-N 0 0 385.432 -1.070 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582052959 1075853618 /nfs/dbraw/zinc/85/36/18/1075853618.db2.gz WRZCZSNHBPYXLR-LLVKDONJSA-N 0 0 390.404 -1.586 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582052960 1075853587 /nfs/dbraw/zinc/85/35/87/1075853587.db2.gz WRZCZSNHBPYXLR-NSHDSACASA-N 0 0 390.404 -1.586 20 0 GAADRN O=C(CCCn1cncn1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001582052983 1075853402 /nfs/dbraw/zinc/85/34/02/1075853402.db2.gz XLHBOWLKDBOALP-ZIAGYGMSSA-N 0 0 384.404 -1.001 20 0 GAADRN O=C(CCCn1cncn1)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O ZINC001582053001 1075853412 /nfs/dbraw/zinc/85/34/12/1075853412.db2.gz XUFAQFWTPKLNEZ-CHWSQXEVSA-N 0 0 384.404 -1.001 20 0 GAADRN O=C(CCCn1cncn1)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582053003 1075853949 /nfs/dbraw/zinc/85/39/49/1075853949.db2.gz XUFAQFWTPKLNEZ-OLZOCXBDSA-N 0 0 384.404 -1.001 20 0 GAADRN O=C(CCN1CCCS1(=O)=O)Nc1nc2n(c1-c1nn[nH]n1)CCOC2 ZINC001582053013 1075853834 /nfs/dbraw/zinc/85/38/34/1075853834.db2.gz MDEINFQRNAGBNK-UHFFFAOYSA-N 0 0 382.406 -1.043 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053027 1075853737 /nfs/dbraw/zinc/85/37/37/1075853737.db2.gz MHRAOIKKXQRGAT-LLVKDONJSA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053029 1075853816 /nfs/dbraw/zinc/85/38/16/1075853816.db2.gz MHRAOIKKXQRGAT-NSHDSACASA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053091 1075853974 /nfs/dbraw/zinc/85/39/74/1075853974.db2.gz ZFWARPCYQFXZDJ-JTQLQIEISA-N 0 0 390.404 -1.586 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053092 1075853795 /nfs/dbraw/zinc/85/37/95/1075853795.db2.gz ZFWARPCYQFXZDJ-SNVBAGLBSA-N 0 0 390.404 -1.586 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001582053101 1075853966 /nfs/dbraw/zinc/85/39/66/1075853966.db2.gz ZNNNFVIGCSNQNI-JTQLQIEISA-N 0 0 375.393 -1.442 20 0 GAADRN O=C(CCN1CCCC1=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001582053102 1075853774 /nfs/dbraw/zinc/85/37/74/1075853774.db2.gz ZNNNFVIGCSNQNI-SNVBAGLBSA-N 0 0 375.393 -1.442 20 0 GAADRN O=C(CCN1CCCC1=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001582053111 1075853930 /nfs/dbraw/zinc/85/39/30/1075853930.db2.gz ZXXDEZRTNVZKCD-UHFFFAOYSA-N 0 0 389.420 -1.098 20 0 GAADRN O=C(CCN1C(=O)CCC1=O)NCCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582053112 1075853916 /nfs/dbraw/zinc/85/39/16/1075853916.db2.gz ZYBMHZIWFPGLAA-UHFFFAOYSA-N 0 0 388.388 -1.030 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582053187 1075853900 /nfs/dbraw/zinc/85/39/00/1075853900.db2.gz OZKXCBRIRWNFJD-KGLIPLIRSA-N 0 0 388.432 -1.350 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053200 1075853944 /nfs/dbraw/zinc/85/39/44/1075853944.db2.gz PLBWDYRWSWXOLK-LLVKDONJSA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582053201 1075853762 /nfs/dbraw/zinc/85/37/62/1075853762.db2.gz PLBWDYRWSWXOLK-NSHDSACASA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCOCC1)N(CCO)CCNc1nccnc1-c1nn[nH]n1 ZINC001582053218 1075853857 /nfs/dbraw/zinc/85/38/57/1075853857.db2.gz QBAUPUATRIOEHY-UHFFFAOYSA-N 0 0 391.436 -1.388 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001582053232 1075853992 /nfs/dbraw/zinc/85/39/92/1075853992.db2.gz QGQBSNXJARBIPN-CYBMUJFWSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001582053233 1075854004 /nfs/dbraw/zinc/85/40/04/1075854004.db2.gz QGQBSNXJARBIPN-ZDUSSCGKSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001582053236 1075854343 /nfs/dbraw/zinc/85/43/43/1075854343.db2.gz QHPVBIXVSBLSFH-NEPJUHHUSA-N 0 0 389.420 -1.955 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582053241 1075854167 /nfs/dbraw/zinc/85/41/67/1075854167.db2.gz QOYLKOHQFLDECP-CHWSQXEVSA-N 0 0 389.420 -1.955 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582053242 1075854289 /nfs/dbraw/zinc/85/42/89/1075854289.db2.gz QOYLKOHQFLDECP-OLZOCXBDSA-N 0 0 389.420 -1.955 20 0 GAADRN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582053254 1075854181 /nfs/dbraw/zinc/85/41/81/1075854181.db2.gz CTQUFGAFOIIAOD-NEPJUHHUSA-N 0 0 387.404 -1.665 20 0 GAADRN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582053257 1075854381 /nfs/dbraw/zinc/85/43/81/1075854381.db2.gz CTQUFGAFOIIAOD-VXGBXAGGSA-N 0 0 387.404 -1.665 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O ZINC001582053259 1075854189 /nfs/dbraw/zinc/85/41/89/1075854189.db2.gz RERNNCCMLJDZRO-ZIAGYGMSSA-N 0 0 388.432 -1.350 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001582053300 1075854219 /nfs/dbraw/zinc/85/42/19/1075854219.db2.gz SMNNMFXVCICDPE-CYBMUJFWSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001582053302 1075854153 /nfs/dbraw/zinc/85/41/53/1075854153.db2.gz SMNNMFXVCICDPE-ZDUSSCGKSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582053308 1075854253 /nfs/dbraw/zinc/85/42/53/1075854253.db2.gz DJMGJYYDLCGREN-NEPJUHHUSA-N 0 0 387.404 -1.665 20 0 GAADRN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582053309 1075854200 /nfs/dbraw/zinc/85/42/00/1075854200.db2.gz DJMGJYYDLCGREN-VXGBXAGGSA-N 0 0 387.404 -1.665 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582053317 1075854364 /nfs/dbraw/zinc/85/43/64/1075854364.db2.gz SRHXSYBLHVZDOK-GFCCVEGCSA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582053318 1075854373 /nfs/dbraw/zinc/85/43/73/1075854373.db2.gz SRHXSYBLHVZDOK-LBPRGKRZSA-N 0 0 392.420 -1.876 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582053321 1075854349 /nfs/dbraw/zinc/85/43/49/1075854349.db2.gz SXIMVZLBLODMLR-LLVKDONJSA-N 0 0 377.409 -1.732 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582053322 1075854234 /nfs/dbraw/zinc/85/42/34/1075854234.db2.gz SXIMVZLBLODMLR-NSHDSACASA-N 0 0 377.409 -1.732 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001582053324 1075854320 /nfs/dbraw/zinc/85/43/20/1075854320.db2.gz TWSUEGSSNVVUEX-LLVKDONJSA-N 0 0 377.409 -1.732 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001582053325 1075854208 /nfs/dbraw/zinc/85/42/08/1075854208.db2.gz TWSUEGSSNVVUEX-NSHDSACASA-N 0 0 377.409 -1.732 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582053346 1075854262 /nfs/dbraw/zinc/85/42/62/1075854262.db2.gz VMYLFBXULRMMEI-CHWSQXEVSA-N 0 0 389.420 -1.955 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582053347 1075854302 /nfs/dbraw/zinc/85/43/02/1075854302.db2.gz VMYLFBXULRMMEI-OLZOCXBDSA-N 0 0 389.420 -1.955 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O ZINC001582053379 1075854801 /nfs/dbraw/zinc/85/48/01/1075854801.db2.gz WYNPGQJWGKFGHS-CABCVRRESA-N 0 0 388.432 -1.350 20 0 GAADRN O=C(CCN1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001582053380 1075854673 /nfs/dbraw/zinc/85/46/73/1075854673.db2.gz WYNPGQJWGKFGHS-HUUCEWRRSA-N 0 0 388.432 -1.350 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001582053399 1075854551 /nfs/dbraw/zinc/85/45/51/1075854551.db2.gz XWCPYPXJINNECP-CYBMUJFWSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001582053400 1075854771 /nfs/dbraw/zinc/85/47/71/1075854771.db2.gz XWCPYPXJINNECP-ZDUSSCGKSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001582053538 1075854817 /nfs/dbraw/zinc/85/48/17/1075854817.db2.gz ZDQZAUWKRQUIRJ-CYBMUJFWSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CCN1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001582053539 1075854624 /nfs/dbraw/zinc/85/46/24/1075854624.db2.gz ZDQZAUWKRQUIRJ-ZDUSSCGKSA-N 0 0 376.421 -1.127 20 0 GAADRN O=C(CC[NH+]1CCCCC1)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001582053604 1075854784 /nfs/dbraw/zinc/85/47/84/1075854784.db2.gz HVJJQZSUKPMUEQ-GFCCVEGCSA-N 0 0 375.437 -1.156 20 0 GAADRN O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001582053605 1075854696 /nfs/dbraw/zinc/85/46/96/1075854696.db2.gz HVJJQZSUKPMUEQ-LBPRGKRZSA-N 0 0 375.437 -1.156 20 0 GAADRN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001582053624 1075854794 /nfs/dbraw/zinc/85/47/94/1075854794.db2.gz 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O=C(N[C@H]1COC2(CN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582345943 1075938224 /nfs/dbraw/zinc/93/82/24/1075938224.db2.gz PNYUTFKFVBSZQF-MRVPVSSYSA-N 0 0 384.360 -1.274 20 0 GAADRN O=C(N[C@@H]1COC2(CN(C(=O)c3nc[nH]n3)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582345946 1075938241 /nfs/dbraw/zinc/93/82/41/1075938241.db2.gz PNYUTFKFVBSZQF-QMMMGPOBSA-N 0 0 384.360 -1.274 20 0 GAADRN O=C(N[C@H]1COC2(CN(C(=O)c3cnon3)C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582346507 1075938232 /nfs/dbraw/zinc/93/82/32/1075938232.db2.gz STKFNNOCJLYPSW-SECBINFHSA-N 0 0 385.344 -1.009 20 0 GAADRN O=C(N[C@@H]1COC2(CN(C(=O)c3cnon3)C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582346508 1075938256 /nfs/dbraw/zinc/93/82/56/1075938256.db2.gz STKFNNOCJLYPSW-VIFPVBQESA-N 0 0 385.344 -1.009 20 0 GAADRN O=C(N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1cn[nH]n1 ZINC001582347866 1075938203 /nfs/dbraw/zinc/93/82/03/1075938203.db2.gz YMJKRQZWPIIQEJ-MRVPVSSYSA-N 0 0 384.360 -1.274 20 0 GAADRN 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ZINC001582352227 1075940892 /nfs/dbraw/zinc/94/08/92/1075940892.db2.gz JOFBFBLCHFZYRN-VIFPVBQESA-N 0 0 386.376 -1.162 20 0 GAADRN O=C(NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582352642 1075940849 /nfs/dbraw/zinc/94/08/49/1075940849.db2.gz RWUCLCHQMVFUAK-SECBINFHSA-N 0 0 386.376 -1.162 20 0 GAADRN O=C(NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582352643 1075940803 /nfs/dbraw/zinc/94/08/03/1075940803.db2.gz RWUCLCHQMVFUAK-VIFPVBQESA-N 0 0 386.376 -1.162 20 0 GAADRN O=C(NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582352702 1075940787 /nfs/dbraw/zinc/94/07/87/1075940787.db2.gz TTZADGVPNVLORA-AYGWYOGXSA-N 0 0 390.404 -1.403 20 0 GAADRN O=C(NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582352703 1075940880 /nfs/dbraw/zinc/94/08/80/1075940880.db2.gz TTZADGVPNVLORA-BBGACYKPSA-N 0 0 390.404 -1.403 20 0 GAADRN O=C(NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001582352990 1075941501 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/nfs/dbraw/zinc/96/16/75/1075961675.db2.gz LRSULFSNBMIMOZ-NSHDSACASA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(Cn1cnnn1)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582431383 1075961665 /nfs/dbraw/zinc/96/16/65/1075961665.db2.gz VGYCJIWLXOXYNT-LLVKDONJSA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(Cn1cnnn1)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582431384 1075961478 /nfs/dbraw/zinc/96/14/78/1075961478.db2.gz VGYCJIWLXOXYNT-NSHDSACASA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(Cn1ncnn1)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582431713 1075961545 /nfs/dbraw/zinc/96/15/45/1075961545.db2.gz YKQQBTHQHXQGBS-LLVKDONJSA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(Cn1ncnn1)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582431714 1075961658 /nfs/dbraw/zinc/96/16/58/1075961658.db2.gz YKQQBTHQHXQGBS-NSHDSACASA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(Cn1ncnn1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582435507 1075961721 /nfs/dbraw/zinc/96/17/21/1075961721.db2.gz CPEXEFNIRCUWBZ-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1ncnn1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582435508 1075961456 /nfs/dbraw/zinc/96/14/56/1075961456.db2.gz CPEXEFNIRCUWBZ-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1ncnn1)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582436413 1075961501 /nfs/dbraw/zinc/96/15/01/1075961501.db2.gz JNXRORBZGUYYLE-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1ncnn1)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582436415 1075961528 /nfs/dbraw/zinc/96/15/28/1075961528.db2.gz JNXRORBZGUYYLE-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582436799 1075961686 /nfs/dbraw/zinc/96/16/86/1075961686.db2.gz MQPGGHVRISBDHC-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582436800 1075961567 /nfs/dbraw/zinc/96/15/67/1075961567.db2.gz MQPGGHVRISBDHC-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582437531 1075961586 /nfs/dbraw/zinc/96/15/86/1075961586.db2.gz SPCMJBLODPOENT-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582437532 1075961710 /nfs/dbraw/zinc/96/17/10/1075961710.db2.gz SPCMJBLODPOENT-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582439167 1075961965 /nfs/dbraw/zinc/96/19/65/1075961965.db2.gz AHASXWPNEMGLRD-JTQLQIEISA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582439168 1075962064 /nfs/dbraw/zinc/96/20/64/1075962064.db2.gz AHASXWPNEMGLRD-SNVBAGLBSA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582439191 1075962037 /nfs/dbraw/zinc/96/20/37/1075962037.db2.gz AYYHTUBFFSEXBF-LLVKDONJSA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582439192 1075962190 /nfs/dbraw/zinc/96/21/90/1075962190.db2.gz AYYHTUBFFSEXBF-NSHDSACASA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582439295 1075961957 /nfs/dbraw/zinc/96/19/57/1075961957.db2.gz DZDLSFWHBLJEOV-LLVKDONJSA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CCn1cnnn1)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582439296 1075962214 /nfs/dbraw/zinc/96/22/14/1075962214.db2.gz DZDLSFWHBLJEOV-NSHDSACASA-N 0 0 385.392 -1.008 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582439497 1075962006 /nfs/dbraw/zinc/96/20/06/1075962006.db2.gz JLNVRQQLBXPHBY-JTQLQIEISA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582439498 1075962202 /nfs/dbraw/zinc/96/22/02/1075962202.db2.gz JLNVRQQLBXPHBY-SNVBAGLBSA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582439611 1075962132 /nfs/dbraw/zinc/96/21/32/1075962132.db2.gz LUFRPLAMUJMOMK-JTQLQIEISA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582439612 1075962147 /nfs/dbraw/zinc/96/21/47/1075962147.db2.gz LUFRPLAMUJMOMK-SNVBAGLBSA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582440602 1075962171 /nfs/dbraw/zinc/96/21/71/1075962171.db2.gz ZHQLROLXCCMCBM-SECBINFHSA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(CN1CN=NC1=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582440605 1075962250 /nfs/dbraw/zinc/96/22/50/1075962250.db2.gz ZHQLROLXCCMCBM-VIFPVBQESA-N 0 0 386.376 -1.087 20 0 GAADRN O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)nn1)C1CS(=O)(=O)C1 ZINC001582448039 1075962098 /nfs/dbraw/zinc/96/20/98/1075962098.db2.gz ZLQSLSJWCHVILT-JTQLQIEISA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(NC[C@H]1CCCN1c1ccc(-c2nn[nH]n2)nn1)C1CS(=O)(=O)C1 ZINC001582448040 1075962232 /nfs/dbraw/zinc/96/22/32/1075962232.db2.gz ZLQSLSJWCHVILT-SNVBAGLBSA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582448215 1075962021 /nfs/dbraw/zinc/96/20/21/1075962021.db2.gz DUBUZCCFZBPCGK-JTQLQIEISA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(NC[C@H]1CCCN1c1cncc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582448216 1075962265 /nfs/dbraw/zinc/96/22/65/1075962265.db2.gz DUBUZCCFZBPCGK-SNVBAGLBSA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[nH]n2)cn1)C1CS(=O)(=O)C1 ZINC001582448999 1075961988 /nfs/dbraw/zinc/96/19/88/1075961988.db2.gz USESVYWCIBGKGX-JTQLQIEISA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(NC[C@H]1CCCN1c1cnc(-c2nn[nH]n2)cn1)C1CS(=O)(=O)C1 ZINC001582449000 1075962111 /nfs/dbraw/zinc/96/21/11/1075962111.db2.gz USESVYWCIBGKGX-SNVBAGLBSA-N 0 0 378.418 -1.214 20 0 GAADRN O=C(CCn1cnnn1)N1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582451192 1075962723 /nfs/dbraw/zinc/96/27/23/1075962723.db2.gz CXFDQRNGHAKYDX-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(CCn1cnnn1)N1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582451193 1075962522 /nfs/dbraw/zinc/96/25/22/1075962522.db2.gz CXFDQRNGHAKYDX-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001582451270 1075962531 /nfs/dbraw/zinc/96/25/31/1075962531.db2.gz FPIQCKYYGCVYMD-UHFFFAOYSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001582451278 1075962615 /nfs/dbraw/zinc/96/26/15/1075962615.db2.gz FSFHEATVNMWEAR-UHFFFAOYSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1ncnn1)N1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001582451281 1075962585 /nfs/dbraw/zinc/96/25/85/1075962585.db2.gz FVXDHPJWFYZEJN-UHFFFAOYSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1ncnn1)N1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001582451439 1075962595 /nfs/dbraw/zinc/96/25/95/1075962595.db2.gz HQUFKJQZQKRGGM-UHFFFAOYSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(CCn1cnnn1)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582451856 1075962635 /nfs/dbraw/zinc/96/26/35/1075962635.db2.gz MWOGJHQTNZZWQT-JTQLQIEISA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(CCn1cnnn1)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582451857 1075962548 /nfs/dbraw/zinc/96/25/48/1075962548.db2.gz MWOGJHQTNZZWQT-SNVBAGLBSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(Cn1cnnn1)N1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001582452147 1075962625 /nfs/dbraw/zinc/96/26/25/1075962625.db2.gz UQJXBBJICLLADG-UHFFFAOYSA-N 0 0 385.392 -1.150 20 0 GAADRN O=C(NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582456586 1075962606 /nfs/dbraw/zinc/96/26/06/1075962606.db2.gz JTESELCONFBHMV-CMPLNLGQSA-N 0 0 392.445 -1.104 20 0 GAADRN O=C(NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582456587 1075962740 /nfs/dbraw/zinc/96/27/40/1075962740.db2.gz JTESELCONFBHMV-JQWIXIFHSA-N 0 0 392.445 -1.104 20 0 GAADRN O=C(NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582456588 1075962703 /nfs/dbraw/zinc/96/27/03/1075962703.db2.gz JTESELCONFBHMV-PWSUYJOCSA-N 0 0 392.445 -1.104 20 0 GAADRN O=C(NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582456589 1075962668 /nfs/dbraw/zinc/96/26/68/1075962668.db2.gz JTESELCONFBHMV-ZYHUDNBSSA-N 0 0 392.445 -1.104 20 0 GAADRN O=C(NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1)C1CS(=O)(=O)C1 ZINC001582459597 1075962689 /nfs/dbraw/zinc/96/26/89/1075962689.db2.gz KSJDFAHDRKUNSS-SECBINFHSA-N 0 0 378.418 -1.356 20 0 GAADRN O=C(NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1)C1CS(=O)(=O)C1 ZINC001582459598 1075962650 /nfs/dbraw/zinc/96/26/50/1075962650.db2.gz KSJDFAHDRKUNSS-VIFPVBQESA-N 0 0 378.418 -1.356 20 0 GAADRN O=C(NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582459697 1075962563 /nfs/dbraw/zinc/96/25/63/1075962563.db2.gz NVINDOKGXBYYFB-GWCFXTLKSA-N 0 0 392.445 -1.104 20 0 GAADRN O=C(NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582459698 1075962574 /nfs/dbraw/zinc/96/25/74/1075962574.db2.gz 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MLCSACKSCQOTGV-RYUDHWBXSA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1)[C@H]1COCCO1 ZINC001582483914 1075965972 /nfs/dbraw/zinc/96/59/72/1075965972.db2.gz MLCSACKSCQOTGV-VXGBXAGGSA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)c1ccc(=O)[nH]n1 ZINC001582483969 1075965998 /nfs/dbraw/zinc/96/59/98/1075965998.db2.gz NWVOSBKAPFDDMH-SECBINFHSA-N 0 0 384.360 -1.213 20 0 GAADRN O=C(NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)c1ccc(=O)[nH]n1 ZINC001582483970 1075966043 /nfs/dbraw/zinc/96/60/43/1075966043.db2.gz NWVOSBKAPFDDMH-VIFPVBQESA-N 0 0 384.360 -1.213 20 0 GAADRN O=C(NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484261 1075965882 /nfs/dbraw/zinc/96/58/82/1075965882.db2.gz VRHYEJSQMPAPOC-GHMZBOCLSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484262 1075966012 /nfs/dbraw/zinc/96/60/12/1075966012.db2.gz VRHYEJSQMPAPOC-MNOVXSKESA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484263 1075966099 /nfs/dbraw/zinc/96/60/99/1075966099.db2.gz VRHYEJSQMPAPOC-QWRGUYRKSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484264 1075965916 /nfs/dbraw/zinc/96/59/16/1075965916.db2.gz VRHYEJSQMPAPOC-WDEREUQCSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484634 1075966606 /nfs/dbraw/zinc/96/66/06/1075966606.db2.gz FNPRPSFAENEGLU-BXUZGUMPSA-N 0 0 375.389 -1.002 20 0 GAADRN O=C(NC[C@H]1CN(c2ccncc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484635 1075966347 /nfs/dbraw/zinc/96/63/47/1075966347.db2.gz FNPRPSFAENEGLU-FZMZJTMJSA-N 0 0 375.389 -1.002 20 0 GAADRN O=C(NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)CCO1)[C@@H]1COCCO1 ZINC001582484636 1075966541 /nfs/dbraw/zinc/96/65/41/1075966541.db2.gz FNPRPSFAENEGLU-RISCZKNCSA-N 0 0 375.389 -1.002 20 0 GAADRN O=C(NC[C@H]1CN(c2ccncc2-c2nn[nH]n2)CCO1)[C@H]1COCCO1 ZINC001582484637 1075966361 /nfs/dbraw/zinc/96/63/61/1075966361.db2.gz FNPRPSFAENEGLU-SMDDNHRTSA-N 0 0 375.389 -1.002 20 0 GAADRN O=C(NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@@H]1COCCO1 ZINC001582484766 1075966429 /nfs/dbraw/zinc/96/64/29/1075966429.db2.gz IRJWWIDIOWQFMN-AAEUAGOBSA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@H]1COCCO1 ZINC001582484767 1075966445 /nfs/dbraw/zinc/96/64/45/1075966445.db2.gz IRJWWIDIOWQFMN-DGCLKSJQSA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@H]1COCCO1 ZINC001582484768 1075966550 /nfs/dbraw/zinc/96/65/50/1075966550.db2.gz IRJWWIDIOWQFMN-WCQYABFASA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@@H]1COCCO1 ZINC001582484769 1075966491 /nfs/dbraw/zinc/96/64/91/1075966491.db2.gz IRJWWIDIOWQFMN-YPMHNXCESA-N 0 0 390.404 -1.216 20 0 GAADRN O=C(NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)c1c[nH]c(=O)cn1 ZINC001582484798 1075966529 /nfs/dbraw/zinc/96/65/29/1075966529.db2.gz 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GAADRN O=C(NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582485026 1075966579 /nfs/dbraw/zinc/96/65/79/1075966579.db2.gz BMTUOTNJFLSVQR-MFKMUULPSA-N 0 0 391.388 -1.433 20 0 GAADRN O=C(NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582485027 1075966564 /nfs/dbraw/zinc/96/65/64/1075966564.db2.gz BMTUOTNJFLSVQR-ZWNOBZJWSA-N 0 0 391.388 -1.433 20 0 GAADRN O=C(NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)[C@H]1COCCO1 ZINC001582485098 1075966505 /nfs/dbraw/zinc/96/65/05/1075966505.db2.gz OLYOCOOWPCSSIX-CMPLNLGQSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)[C@@H]1COCCO1 ZINC001582485099 1075966479 /nfs/dbraw/zinc/96/64/79/1075966479.db2.gz OLYOCOOWPCSSIX-JQWIXIFHSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)[C@@H]1COCCO1 ZINC001582485100 1075966765 /nfs/dbraw/zinc/96/67/65/1075966765.db2.gz OLYOCOOWPCSSIX-PWSUYJOCSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)[C@H]1COCCO1 ZINC001582485101 1075966887 /nfs/dbraw/zinc/96/68/87/1075966887.db2.gz OLYOCOOWPCSSIX-ZYHUDNBSSA-N 0 0 376.377 -1.607 20 0 GAADRN O=C(Cn1nccn1)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582485180 1075966809 /nfs/dbraw/zinc/96/68/09/1075966809.db2.gz CVALGPUOJPNURZ-JTQLQIEISA-N 0 0 386.376 -1.556 20 0 GAADRN O=C(Cn1nccn1)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582485181 1075966981 /nfs/dbraw/zinc/96/69/81/1075966981.db2.gz CVALGPUOJPNURZ-SNVBAGLBSA-N 0 0 386.376 -1.556 20 0 GAADRN O=C(NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)c1cnc[nH]c1=O ZINC001582485334 1075967002 /nfs/dbraw/zinc/96/70/02/1075967002.db2.gz RAGMSDUGYAZJIF-SECBINFHSA-N 0 0 384.360 -1.213 20 0 GAADRN O=C(NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1)c1cnc[nH]c1=O ZINC001582485335 1075966787 /nfs/dbraw/zinc/96/67/87/1075966787.db2.gz RAGMSDUGYAZJIF-VIFPVBQESA-N 0 0 384.360 -1.213 20 0 GAADRN O=C(Cc1nnc[nH]1)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 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/nfs/dbraw/zinc/96/70/39/1075967039.db2.gz IJJVYMBEQJRZGM-DGCLKSJQSA-N 0 0 391.388 -1.433 20 0 GAADRN O=C(NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1COCCO1 ZINC001582485591 1075967065 /nfs/dbraw/zinc/96/70/65/1075967065.db2.gz IJJVYMBEQJRZGM-WCQYABFASA-N 0 0 391.388 -1.433 20 0 GAADRN O=C(NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1COCCO1 ZINC001582485593 1075966904 /nfs/dbraw/zinc/96/69/04/1075966904.db2.gz IJJVYMBEQJRZGM-YPMHNXCESA-N 0 0 391.388 -1.433 20 0 GAADRN O=C(Cc1nnc[nH]1)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582485636 1075966930 /nfs/dbraw/zinc/96/69/30/1075966930.db2.gz JEHHSXQCTFOBLJ-JTQLQIEISA-N 0 0 386.376 -1.487 20 0 GAADRN O=C(Cc1nnc[nH]1)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582485637 1075967023 /nfs/dbraw/zinc/96/70/23/1075967023.db2.gz JEHHSXQCTFOBLJ-SNVBAGLBSA-N 0 0 386.376 -1.487 20 0 GAADRN O=C(NC[C@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1COCCO1 ZINC001582485692 1075966775 /nfs/dbraw/zinc/96/67/75/1075966775.db2.gz 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385.388 -1.451 20 0 GAADRN O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582782574 1076036579 /nfs/dbraw/zinc/03/65/79/1076036579.db2.gz UEQYSSXQPIERDP-AAEUAGOBSA-N 0 0 387.404 -1.028 20 0 GAADRN O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582782575 1076036511 /nfs/dbraw/zinc/03/65/11/1076036511.db2.gz UEQYSSXQPIERDP-DGCLKSJQSA-N 0 0 387.404 -1.028 20 0 GAADRN O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582782577 1076036645 /nfs/dbraw/zinc/03/66/45/1076036645.db2.gz UEQYSSXQPIERDP-WCQYABFASA-N 0 0 387.404 -1.028 20 0 GAADRN O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582782578 1076036545 /nfs/dbraw/zinc/03/65/45/1076036545.db2.gz UEQYSSXQPIERDP-YPMHNXCESA-N 0 0 387.404 -1.028 20 0 GAADRN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001582782658 1076036497 /nfs/dbraw/zinc/03/64/97/1076036497.db2.gz VGAFHUOYJCONKQ-LLVKDONJSA-N 0 0 385.388 -1.449 20 0 GAADRN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001582782660 1076036630 /nfs/dbraw/zinc/03/66/30/1076036630.db2.gz VGAFHUOYJCONKQ-NSHDSACASA-N 0 0 385.388 -1.449 20 0 GAADRN O=C(NC1(CCO)CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CNC(=O)N1 ZINC001582782667 1076036916 /nfs/dbraw/zinc/03/69/16/1076036916.db2.gz VIGIQCZCUJOALW-CYBMUJFWSA-N 0 0 386.416 -1.399 20 0 GAADRN O=C(NC1(CCO)CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001582782668 1076036947 /nfs/dbraw/zinc/03/69/47/1076036947.db2.gz VIGIQCZCUJOALW-ZDUSSCGKSA-N 0 0 386.416 -1.399 20 0 GAADRN O=C(NC[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582782675 1076037142 /nfs/dbraw/zinc/03/71/42/1076037142.db2.gz VKKIVHMQTJDHFO-BXKDBHETSA-N 0 0 387.404 -1.155 20 0 GAADRN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582782676 1076037188 /nfs/dbraw/zinc/03/71/88/1076037188.db2.gz VKKIVHMQTJDHFO-CABZTGNLSA-N 0 0 387.404 -1.155 20 0 GAADRN O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582782677 1076037061 /nfs/dbraw/zinc/03/70/61/1076037061.db2.gz VKKIVHMQTJDHFO-JOYOIKCWSA-N 0 0 387.404 -1.155 20 0 GAADRN O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582782679 1076036860 /nfs/dbraw/zinc/03/68/60/1076036860.db2.gz VKKIVHMQTJDHFO-SKDRFNHKSA-N 0 0 387.404 -1.155 20 0 GAADRN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001582782696 1076036842 /nfs/dbraw/zinc/03/68/42/1076036842.db2.gz VYLRSVFHPAQVBN-KPXOXKRLSA-N 0 0 385.388 -1.451 20 0 GAADRN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001582782698 1076036995 /nfs/dbraw/zinc/03/69/95/1076036995.db2.gz VYLRSVFHPAQVBN-XXILOJSOSA-N 0 0 385.388 -1.451 20 0 GAADRN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001582782751 1076037020 /nfs/dbraw/zinc/03/70/20/1076037020.db2.gz SFNFPTVQPPWFMJ-LLVKDONJSA-N 0 0 385.388 -1.449 20 0 GAADRN 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/nfs/dbraw/zinc/04/41/45/1076044145.db2.gz YXUGPBLDHVGATF-BXKDBHETSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785428 1076044021 /nfs/dbraw/zinc/04/40/21/1076044021.db2.gz YXUGPBLDHVGATF-CABZTGNLSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)[C@H]1CNC(=O)N1 ZINC001582785429 1076044421 /nfs/dbraw/zinc/04/44/21/1076044421.db2.gz YXUGPBLDHVGATF-JOYOIKCWSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785430 1076044345 /nfs/dbraw/zinc/04/43/45/1076044345.db2.gz YXUGPBLDHVGATF-SKDRFNHKSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785437 1076044316 /nfs/dbraw/zinc/04/43/16/1076044316.db2.gz ZALHPRFPGZXAFB-GXSJLCMTSA-N 0 0 388.392 -1.950 20 0 GAADRN O=C(NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785438 1076044385 /nfs/dbraw/zinc/04/43/85/1076044385.db2.gz ZALHPRFPGZXAFB-KOLCDFICSA-N 0 0 388.392 -1.950 20 0 GAADRN O=C(NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785439 1076044442 /nfs/dbraw/zinc/04/44/42/1076044442.db2.gz ZALHPRFPGZXAFB-MWLCHTKSSA-N 0 0 388.392 -1.950 20 0 GAADRN O=C(NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785440 1076044375 /nfs/dbraw/zinc/04/43/75/1076044375.db2.gz ZALHPRFPGZXAFB-ONGXEEELSA-N 0 0 388.392 -1.950 20 0 GAADRN O=C(NC[C@H]1CN(c2ncccc2-c2nn[nH]n2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785453 1076044291 /nfs/dbraw/zinc/04/42/91/1076044291.db2.gz ZNYOPPZBTLNXCN-CMPLNLGQSA-N 0 0 387.404 -1.345 20 0 GAADRN O=C(NC[C@H]1CN(c2ncccc2-c2nn[nH]n2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785454 1076044355 /nfs/dbraw/zinc/04/43/55/1076044355.db2.gz ZNYOPPZBTLNXCN-JQWIXIFHSA-N 0 0 387.404 -1.345 20 0 GAADRN O=C(NC[C@@H]1CN(c2ncccc2-c2nn[nH]n2)CCCO1)[C@@H]1CNC(=O)N1 ZINC001582785455 1076044430 /nfs/dbraw/zinc/04/44/30/1076044430.db2.gz ZNYOPPZBTLNXCN-PWSUYJOCSA-N 0 0 387.404 -1.345 20 0 GAADRN O=C(NC[C@@H]1CN(c2ncccc2-c2nn[nH]n2)CCCO1)[C@H]1CNC(=O)N1 ZINC001582785456 1076044363 /nfs/dbraw/zinc/04/43/63/1076044363.db2.gz ZNYOPPZBTLNXCN-ZYHUDNBSSA-N 0 0 387.404 -1.345 20 0 GAADRN O=C(NCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785547 1076044406 /nfs/dbraw/zinc/04/44/06/1076044406.db2.gz CAMSNWZXWCBPIT-JTQLQIEISA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(NCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001582785548 1076044276 /nfs/dbraw/zinc/04/42/76/1076044276.db2.gz CAMSNWZXWCBPIT-SNVBAGLBSA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785633 1076044583 /nfs/dbraw/zinc/04/45/83/1076044583.db2.gz OOILCYMLQPHMRT-GMTAPVOTSA-N 0 0 377.430 -1.274 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785634 1076044626 /nfs/dbraw/zinc/04/46/26/1076044626.db2.gz OOILCYMLQPHMRT-HBNTYKKESA-N 0 0 377.430 -1.274 20 0 GAADRN O=C(NCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1CNC(=O)N1 ZINC001582785684 1076044672 /nfs/dbraw/zinc/04/46/72/1076044672.db2.gz FDIOBUOKWZPLRO-CYBMUJFWSA-N 0 0 386.420 -1.819 20 0 GAADRN O=C(NCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785685 1076044695 /nfs/dbraw/zinc/04/46/95/1076044695.db2.gz FDIOBUOKWZPLRO-ZDUSSCGKSA-N 0 0 386.420 -1.819 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C2 ZINC001582785787 1076044653 /nfs/dbraw/zinc/04/46/53/1076044653.db2.gz FSIPQRPVQSFVHD-MRVPVSSYSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C2 ZINC001582785792 1076044799 /nfs/dbraw/zinc/04/47/99/1076044799.db2.gz FSIPQRPVQSFVHD-QMMMGPOBSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C(C[C@H]1CCNC1=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001582785796 1076044543 /nfs/dbraw/zinc/04/45/43/1076044543.db2.gz RIWMPZVHAIJAOG-GHMZBOCLSA-N 0 0 387.404 -1.178 20 0 GAADRN O=C(C[C@H]1CCNC1=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001582785797 1076044753 /nfs/dbraw/zinc/04/47/53/1076044753.db2.gz RIWMPZVHAIJAOG-MNOVXSKESA-N 0 0 387.404 -1.178 20 0 GAADRN O=C(C[C@@H]1CCNC1=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001582785798 1076044872 /nfs/dbraw/zinc/04/48/72/1076044872.db2.gz RIWMPZVHAIJAOG-QWRGUYRKSA-N 0 0 387.404 -1.178 20 0 GAADRN O=C(C[C@@H]1CCNC1=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001582785799 1076044558 /nfs/dbraw/zinc/04/45/58/1076044558.db2.gz RIWMPZVHAIJAOG-WDEREUQCSA-N 0 0 387.404 -1.178 20 0 GAADRN O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2)[C@H]1CNC(=O)N1 ZINC001582785847 1076044606 /nfs/dbraw/zinc/04/46/06/1076044606.db2.gz HAGMHIWJKZIAAP-BFCNOCSMSA-N 0 0 399.415 -1.013 20 0 GAADRN O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2)[C@@H]1CNC(=O)N1 ZINC001582785848 1076044843 /nfs/dbraw/zinc/04/48/43/1076044843.db2.gz HAGMHIWJKZIAAP-ZMNCSTGQSA-N 0 0 399.415 -1.013 20 0 GAADRN O=C1NCC2(CCOCC2)[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001582785849 1076044785 /nfs/dbraw/zinc/04/47/85/1076044785.db2.gz HAIMQJZJECFPIB-LLVKDONJSA-N 0 0 379.402 -1.165 20 0 GAADRN O=C1NCC2(CCOCC2)[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001582785850 1076044767 /nfs/dbraw/zinc/04/47/67/1076044767.db2.gz HAIMQJZJECFPIB-NSHDSACASA-N 0 0 379.402 -1.165 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785855 1076044816 /nfs/dbraw/zinc/04/48/16/1076044816.db2.gz RSZXNQQWYFHILV-IACUBPJLSA-N 0 0 389.391 -1.197 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785856 1076044713 /nfs/dbraw/zinc/04/47/13/1076044713.db2.gz RSZXNQQWYFHILV-MRVWCRGKSA-N 0 0 389.391 -1.197 20 0 GAADRN O=C(N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785867 1076044741 /nfs/dbraw/zinc/04/47/41/1076044741.db2.gz RYVIRWOMJWWDDS-FBIMIBRVSA-N 0 0 376.352 -1.797 20 0 GAADRN O=C(N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785868 1076044570 /nfs/dbraw/zinc/04/45/70/1076044570.db2.gz RYVIRWOMJWWDDS-JMJZKYOTSA-N 0 0 376.352 -1.797 20 0 GAADRN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001582786041 1076045237 /nfs/dbraw/zinc/04/52/37/1076045237.db2.gz UMQMJYIDVWKVDF-GRYCIOLGSA-N 0 0 384.400 -1.139 20 0 GAADRN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001582786042 1076045327 /nfs/dbraw/zinc/04/53/27/1076045327.db2.gz UMQMJYIDVWKVDF-TUAOUCFPSA-N 0 0 384.400 -1.139 20 0 GAADRN O=C(NCC1(Nc2cncc(-c3nn[nH]n3)n2)CCOCC1)[C@H]1CCNC1=O ZINC001582786068 1076045061 /nfs/dbraw/zinc/04/50/61/1076045061.db2.gz UWGJEFQBNMUBMQ-JTQLQIEISA-N 0 0 387.404 -1.130 20 0 GAADRN O=C(NCC1(Nc2cncc(-c3nn[nH]n3)n2)CCOCC1)[C@@H]1CCNC1=O ZINC001582786069 1076045118 /nfs/dbraw/zinc/04/51/18/1076045118.db2.gz UWGJEFQBNMUBMQ-SNVBAGLBSA-N 0 0 387.404 -1.130 20 0 GAADRN O=C(NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1CCNC1=O ZINC001582786073 1076045068 /nfs/dbraw/zinc/04/50/68/1076045068.db2.gz VEJFRBQYBOPPFJ-GFCCVEGCSA-N 0 0 386.416 -1.155 20 0 GAADRN O=C(NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1CCNC1=O ZINC001582786074 1076045048 /nfs/dbraw/zinc/04/50/48/1076045048.db2.gz VEJFRBQYBOPPFJ-LBPRGKRZSA-N 0 0 386.416 -1.155 20 0 GAADRN O=C(NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1)[C@@H]1CCNC1=O ZINC001582786093 1076045281 /nfs/dbraw/zinc/04/52/81/1076045281.db2.gz VVBYPJMQQSKGIO-GHMZBOCLSA-N 0 0 387.404 -1.496 20 0 GAADRN O=C(NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1)[C@H]1CCNC1=O ZINC001582786094 1076045345 /nfs/dbraw/zinc/04/53/45/1076045345.db2.gz VVBYPJMQQSKGIO-MNOVXSKESA-N 0 0 387.404 -1.496 20 0 GAADRN O=C(NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1)[C@H]1CCNC1=O ZINC001582786095 1076045258 /nfs/dbraw/zinc/04/52/58/1076045258.db2.gz VVBYPJMQQSKGIO-QWRGUYRKSA-N 0 0 387.404 -1.496 20 0 GAADRN O=C(NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1)[C@@H]1CCNC1=O ZINC001582786096 1076045039 /nfs/dbraw/zinc/04/50/39/1076045039.db2.gz VVBYPJMQQSKGIO-WDEREUQCSA-N 0 0 387.404 -1.496 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)c1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001582786152 1076043561 /nfs/dbraw/zinc/04/35/61/1076043561.db2.gz JSCYBCVVMYXNJK-MRVPVSSYSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)c1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001582786153 1076044130 /nfs/dbraw/zinc/04/41/30/1076044130.db2.gz JSCYBCVVMYXNJK-QMMMGPOBSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786166 1076045298 /nfs/dbraw/zinc/04/52/98/1076045298.db2.gz KHQAHRDHZXCZSW-JHJVBQTASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786167 1076045199 /nfs/dbraw/zinc/04/51/99/1076045199.db2.gz KHQAHRDHZXCZSW-UPJWGTAASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786168 1076045086 /nfs/dbraw/zinc/04/50/86/1076045086.db2.gz KHQAHRDHZXCZSW-XQQFMLRXSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786169 1076045074 /nfs/dbraw/zinc/04/50/74/1076045074.db2.gz KHQAHRDHZXCZSW-YNEHKIRRSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582786176 1076045104 /nfs/dbraw/zinc/04/51/04/1076045104.db2.gz KLMZDKLCHHMUMO-MKPLZMMCSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582786177 1076045173 /nfs/dbraw/zinc/04/51/73/1076045173.db2.gz KLMZDKLCHHMUMO-XRNSZHNASA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582786231 1076045028 /nfs/dbraw/zinc/04/50/28/1076045028.db2.gz LLPLLMWJJLUZEO-SBMIAAHKSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(NC[C@H]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582786235 1076045151 /nfs/dbraw/zinc/04/51/51/1076045151.db2.gz LLPLLMWJJLUZEO-YGOYTEALSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582786333 1076045633 /nfs/dbraw/zinc/04/56/33/1076045633.db2.gz ZCUYRBGCRVUYFG-BFHYXJOUSA-N 0 0 389.391 -1.197 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582786334 1076045810 /nfs/dbraw/zinc/04/58/10/1076045810.db2.gz ZCUYRBGCRVUYFG-MGPQQGTHSA-N 0 0 389.391 -1.197 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)c1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001582786411 1076045591 /nfs/dbraw/zinc/04/55/91/1076045591.db2.gz NGJLOMIFZTZGBE-MRVPVSSYSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)c1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001582786412 1076045502 /nfs/dbraw/zinc/04/55/02/1076045502.db2.gz NGJLOMIFZTZGBE-QMMMGPOBSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C(NCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@H]1CNC(=O)N1 ZINC001582786429 1076045546 /nfs/dbraw/zinc/04/55/46/1076045546.db2.gz NNHGBDIJICCHKV-LLVKDONJSA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(NCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786430 1076045682 /nfs/dbraw/zinc/04/56/82/1076045682.db2.gz NNHGBDIJICCHKV-NSHDSACASA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(NCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@H]1CNC(=O)N1 ZINC001582786446 1076045520 /nfs/dbraw/zinc/04/55/20/1076045520.db2.gz NXHDVORGSDJELN-LLVKDONJSA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(NCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786447 1076045660 /nfs/dbraw/zinc/04/56/60/1076045660.db2.gz NXHDVORGSDJELN-NSHDSACASA-N 0 0 387.408 -2.424 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001582786453 1076045707 /nfs/dbraw/zinc/04/57/07/1076045707.db2.gz OCWLYAUIIBSDOR-GFCCVEGCSA-N 0 0 378.414 -1.121 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001582786454 1076045781 /nfs/dbraw/zinc/04/57/81/1076045781.db2.gz OCWLYAUIIBSDOR-LBPRGKRZSA-N 0 0 378.414 -1.121 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582786455 1076045466 /nfs/dbraw/zinc/04/54/66/1076045466.db2.gz OEBVNXTZNOGWGE-SBMIAAHKSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582786456 1076045481 /nfs/dbraw/zinc/04/54/81/1076045481.db2.gz OEBVNXTZNOGWGE-YGOYTEALSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C1NCC2(CCOCC2)[C@@H]1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001582786464 1076045740 /nfs/dbraw/zinc/04/57/40/1076045740.db2.gz OQHVUHTVWBRWLC-LLVKDONJSA-N 0 0 379.402 -1.165 20 0 GAADRN O=C1NCC2(CCOCC2)[C@H]1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001582786465 1076045572 /nfs/dbraw/zinc/04/55/72/1076045572.db2.gz OQHVUHTVWBRWLC-NSHDSACASA-N 0 0 379.402 -1.165 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)c1cc(F)cc(-c3nn[nH]n3)c1)C2 ZINC001582786598 1076045790 /nfs/dbraw/zinc/04/57/90/1076045790.db2.gz OYQHUMURIYUHHJ-JTQLQIEISA-N 0 0 382.377 -1.123 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)c1cc(F)cc(-c3nn[nH]n3)c1)C2 ZINC001582786599 1076045758 /nfs/dbraw/zinc/04/57/58/1076045758.db2.gz OYQHUMURIYUHHJ-SNVBAGLBSA-N 0 0 382.377 -1.123 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582786701 1076045771 /nfs/dbraw/zinc/04/57/71/1076045771.db2.gz QALJSCIUALCJLC-MKPLZMMCSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582786703 1076045612 /nfs/dbraw/zinc/04/56/12/1076045612.db2.gz QALJSCIUALCJLC-XRNSZHNASA-N 0 0 387.404 -1.109 20 0 GAADRN O=C1NCC2(CCOCC2)[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001582786741 1076045933 /nfs/dbraw/zinc/04/59/33/1076045933.db2.gz QNBCNATUSKTTTD-LLVKDONJSA-N 0 0 379.402 -1.165 20 0 GAADRN O=C1NCC2(CCOCC2)[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001582786745 1076045908 /nfs/dbraw/zinc/04/59/08/1076045908.db2.gz QNBCNATUSKTTTD-NSHDSACASA-N 0 0 379.402 -1.165 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786763 1076046062 /nfs/dbraw/zinc/04/60/62/1076046062.db2.gz RBHJZKCJKRGRCI-JHJVBQTASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786764 1076046038 /nfs/dbraw/zinc/04/60/38/1076046038.db2.gz RBHJZKCJKRGRCI-UPJWGTAASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786765 1076046090 /nfs/dbraw/zinc/04/60/90/1076046090.db2.gz RBHJZKCJKRGRCI-XQQFMLRXSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786766 1076046124 /nfs/dbraw/zinc/04/61/24/1076046124.db2.gz RBHJZKCJKRGRCI-YNEHKIRRSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CNC(=O)N1 ZINC001582786771 1076046357 /nfs/dbraw/zinc/04/63/57/1076046357.db2.gz RGNCFGVNPVTPAR-BXKDBHETSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CNC(=O)N1 ZINC001582786772 1076045988 /nfs/dbraw/zinc/04/59/88/1076045988.db2.gz RGNCFGVNPVTPAR-CABZTGNLSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CNC(=O)N1 ZINC001582786773 1076046287 /nfs/dbraw/zinc/04/62/87/1076046287.db2.gz RGNCFGVNPVTPAR-JOYOIKCWSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CNC(=O)N1 ZINC001582786774 1076046299 /nfs/dbraw/zinc/04/62/99/1076046299.db2.gz RGNCFGVNPVTPAR-SKDRFNHKSA-N 0 0 387.404 -1.013 20 0 GAADRN O=C(NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@H]1CNC(=O)N1 ZINC001582786783 1076046236 /nfs/dbraw/zinc/04/62/36/1076046236.db2.gz RPHUUKQGCLQNCV-LLVKDONJSA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786784 1076046330 /nfs/dbraw/zinc/04/63/30/1076046330.db2.gz RPHUUKQGCLQNCV-NSHDSACASA-N 0 0 387.408 -2.424 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786788 1076046005 /nfs/dbraw/zinc/04/60/05/1076046005.db2.gz RTNCTYNATHHHSU-AEJSXWLSSA-N 0 0 378.418 -1.729 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786789 1076046187 /nfs/dbraw/zinc/04/61/87/1076046187.db2.gz RTNCTYNATHHHSU-BBBLOLIVSA-N 0 0 378.418 -1.729 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786790 1076045953 /nfs/dbraw/zinc/04/59/53/1076045953.db2.gz RTNCTYNATHHHSU-IVZWLZJFSA-N 0 0 378.418 -1.729 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786791 1076046312 /nfs/dbraw/zinc/04/63/12/1076046312.db2.gz RTNCTYNATHHHSU-OPRDCNLKSA-N 0 0 378.418 -1.729 20 0 GAADRN O=C(NC[C@H]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582786977 1076046163 /nfs/dbraw/zinc/04/61/63/1076046163.db2.gz SZNZWLCTVFQQCT-MKPLZMMCSA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582786978 1076046345 /nfs/dbraw/zinc/04/63/45/1076046345.db2.gz SZNZWLCTVFQQCT-XRNSZHNASA-N 0 0 387.404 -1.109 20 0 GAADRN O=C(NCCOCCCNc1ncccc1-c1nn[nH]n1)[C@H]1CNC(=O)N1 ZINC001582787019 1076046263 /nfs/dbraw/zinc/04/62/63/1076046263.db2.gz TYYJKXBKJYYIIN-LLVKDONJSA-N 0 0 375.393 -1.122 20 0 GAADRN O=C(NCCOCCCNc1ncccc1-c1nn[nH]n1)[C@@H]1CNC(=O)N1 ZINC001582787023 1076046773 /nfs/dbraw/zinc/04/67/73/1076046773.db2.gz TYYJKXBKJYYIIN-NSHDSACASA-N 0 0 375.393 -1.122 20 0 GAADRN O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[nH]n1)C2)[C@H]1CNC(=O)N1 ZINC001582787029 1076046761 /nfs/dbraw/zinc/04/67/61/1076046761.db2.gz UCGOMUBJXDRQKQ-IEVXNVSRSA-N 0 0 384.404 -1.187 20 0 GAADRN O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[nH]n1)C2)[C@@H]1CNC(=O)N1 ZINC001582787033 1076046575 /nfs/dbraw/zinc/04/65/75/1076046575.db2.gz UCGOMUBJXDRQKQ-PUTJDCORSA-N 0 0 384.404 -1.187 20 0 GAADRN O=C1NC[C@H](O)CC12CN(S(=O)(=O)Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001582787123 1076046530 /nfs/dbraw/zinc/04/65/30/1076046530.db2.gz VHZCXPIFEZJQGM-GFCCVEGCSA-N 0 0 378.414 -1.121 20 0 GAADRN O=C1NC[C@@H](O)CC12CN(S(=O)(=O)Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001582787126 1076046749 /nfs/dbraw/zinc/04/67/49/1076046749.db2.gz VHZCXPIFEZJQGM-LBPRGKRZSA-N 0 0 378.414 -1.121 20 0 GAADRN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CNC(=O)N1 ZINC001582787173 1076046682 /nfs/dbraw/zinc/04/66/82/1076046682.db2.gz WNBUWMDEVIBEOH-DMWPJOQESA-N 0 0 385.388 -1.262 20 0 GAADRN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CNC(=O)N1 ZINC001582787174 1076046696 /nfs/dbraw/zinc/04/66/96/1076046696.db2.gz WNBUWMDEVIBEOH-QCZKYFFMSA-N 0 0 385.388 -1.262 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787175 1076046489 /nfs/dbraw/zinc/04/64/89/1076046489.db2.gz WRDUMWVSJAPSMC-JHJVBQTASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787176 1076046631 /nfs/dbraw/zinc/04/66/31/1076046631.db2.gz WRDUMWVSJAPSMC-YNEHKIRRSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787179 1076046711 /nfs/dbraw/zinc/04/67/11/1076046711.db2.gz WXPJOJHVJUPMCA-JHJVBQTASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787180 1076046615 /nfs/dbraw/zinc/04/66/15/1076046615.db2.gz WXPJOJHVJUPMCA-YNEHKIRRSA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787183 1076046547 /nfs/dbraw/zinc/04/65/47/1076046547.db2.gz XDLFGBJENOLZKT-JHJVBQTASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582787184 1076046592 /nfs/dbraw/zinc/04/65/92/1076046592.db2.gz XDLFGBJENOLZKT-UPJWGTAASA-N 0 0 390.379 -1.652 20 0 GAADRN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787185 1076046656 /nfs/dbraw/zinc/04/66/56/1076046656.db2.gz XDLFGBJENOLZKT-XQQFMLRXSA-N 0 0 390.379 -1.652 20 0 GAADRN 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CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001589265883 1076071183 /nfs/dbraw/zinc/07/11/83/1076071183.db2.gz UYJOMFMUBOSYPK-MNOVXSKESA-N 0 0 399.419 -1.017 20 0 GAADRN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)n1 ZINC001589266005 1076071199 /nfs/dbraw/zinc/07/11/99/1076071199.db2.gz XUYNZLJBLLGHHT-VXGBXAGGSA-N 0 0 399.419 -1.017 20 0 GAADRN CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001589266083 1076071296 /nfs/dbraw/zinc/07/12/96/1076071296.db2.gz YFQJISBYGJCNLJ-ZYHUDNBSSA-N 0 0 399.419 -1.017 20 0 GAADRN CC(C)(CNC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1)NS(C)(=O)=O ZINC001589278201 1076071323 /nfs/dbraw/zinc/07/13/23/1076071323.db2.gz LZXVVFZEQDUHIS-UHFFFAOYSA-N 0 0 395.445 -1.073 20 0 GAADRN CC(C)(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)NS(C)(=O)=O ZINC001589287351 1076071112 /nfs/dbraw/zinc/07/11/12/1076071112.db2.gz DHTMUNNYTHAITK-UHFFFAOYSA-N 0 0 375.436 -1.132 20 0 GAADRN CC(C)(NS(C)(=O)=O)C(=O)NCCCNc1cncc(-c2nn[nH]n2)n1 ZINC001589324848 1076071168 /nfs/dbraw/zinc/07/11/68/1076071168.db2.gz XLSXYJBSXMTCTB-UHFFFAOYSA-N 0 0 383.438 -1.097 20 0 GAADRN O=C(CNS(=O)(=O)c1cccc(F)c1)NCc1nnc2n1CCNC2=O ZINC001589422824 1076071233 /nfs/dbraw/zinc/07/12/33/1076071233.db2.gz DCXHLJIQBRMXTA-UHFFFAOYSA-N 0 0 382.377 -1.245 20 0 GAADRN CC(C)[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)N1CC[NH+](C)CC1 ZINC001589457740 1076071475 /nfs/dbraw/zinc/07/14/75/1076071475.db2.gz ZAHNZTVOZHSXHO-GFCCVEGCSA-N 0 0 391.480 -1.052 20 0 GAADRN CC(C)[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)N1CC[NH+](C)CC1 ZINC001589457747 1076071757 /nfs/dbraw/zinc/07/17/57/1076071757.db2.gz ZAHNZTVOZHSXHO-LBPRGKRZSA-N 0 0 391.480 -1.052 20 0 GAADRN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001589553540 987290697 /nfs/dbraw/zinc/29/06/97/987290697.db2.gz NTGPBLRZPRWBLW-JTQLQIEISA-N 0 0 381.433 -1.282 20 0 GAADRN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001589553542 987290892 /nfs/dbraw/zinc/29/08/92/987290892.db2.gz NTGPBLRZPRWBLW-SNVBAGLBSA-N 0 0 381.433 -1.282 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC001589620421 987495258 /nfs/dbraw/zinc/49/52/58/987495258.db2.gz DAOJPPLDRFZUQY-HDICACEKSA-N 0 0 385.461 -1.167 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC001589620590 987498528 /nfs/dbraw/zinc/49/85/28/987498528.db2.gz LRGJGODCPDCJCI-AWEZNQCLSA-N 0 0 382.461 -1.073 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001589620591 987498609 /nfs/dbraw/zinc/49/86/09/987498609.db2.gz LRGJGODCPDCJCI-CQSZACIVSA-N 0 0 382.461 -1.073 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001589620781 987499565 /nfs/dbraw/zinc/49/95/65/987499565.db2.gz QBRXFUHRRLVCEI-LLVKDONJSA-N 0 0 375.447 -1.455 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001589620783 987499950 /nfs/dbraw/zinc/49/99/50/987499950.db2.gz QBRXFUHRRLVCEI-NSHDSACASA-N 0 0 375.447 -1.455 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 ZINC001589621138 987501610 /nfs/dbraw/zinc/50/16/10/987501610.db2.gz SYZKTORUQJRAPM-UHFFFAOYSA-N 0 0 379.421 -1.293 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC001589621657 987504235 /nfs/dbraw/zinc/50/42/35/987504235.db2.gz ZHIBMUHTUGWDTF-UHFFFAOYSA-N 0 0 383.405 -2.850 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC001589621673 987503972 /nfs/dbraw/zinc/50/39/72/987503972.db2.gz ZZIMRLGPGULVFI-UHFFFAOYSA-N 0 0 375.447 -1.455 20 0 GAADRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001589623949 987519795 /nfs/dbraw/zinc/51/97/95/987519795.db2.gz VALDOPHGFAICJU-UHFFFAOYSA-N 0 0 392.478 -1.161 20 0 GAADRN CC(C)C[NH2+]C1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001589635887 1076071779 /nfs/dbraw/zinc/07/17/79/1076071779.db2.gz OWRQPOKZJWFSOW-UHFFFAOYSA-N 0 0 378.437 -1.169 20 0 GAADRN CC(C)C[NH2+]C1(CO)CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC001589636046 1076071718 /nfs/dbraw/zinc/07/17/18/1076071718.db2.gz YOCSWIWGNSAPCX-UHFFFAOYSA-N 0 0 392.464 -1.159 20 0 GAADRN CC(C)N(CC(N)=O)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589679424 1076071802 /nfs/dbraw/zinc/07/18/02/1076071802.db2.gz SHOVJKIREXXIEQ-UHFFFAOYSA-N 0 0 381.418 -1.133 20 0 GAADRN CC(C)N1CC[C@@H](N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711610 1076071580 /nfs/dbraw/zinc/07/15/80/1076071580.db2.gz AXSJZRSQHHZLNK-MCIONIFRSA-N 0 0 388.432 -1.021 20 0 GAADRN CC(C)N1CC[C@H](N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711611 1076071849 /nfs/dbraw/zinc/07/18/49/1076071849.db2.gz AXSJZRSQHHZLNK-RDBSUJKOSA-N 0 0 388.432 -1.021 20 0 GAADRN CC(C)[NH+]1CCC(O)(CNC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001589714138 1076072159 /nfs/dbraw/zinc/07/21/59/1076072159.db2.gz BEICXIJZIKPANI-UHFFFAOYSA-N 0 0 378.441 -1.007 20 0 GAADRN CC(C)NC(=O)CCNC(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC001589719718 1076072003 /nfs/dbraw/zinc/07/20/03/1076072003.db2.gz DZIMWKDBOXAVPP-UHFFFAOYSA-N 0 0 389.420 -1.179 20 0 GAADRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001589727686 1076072239 /nfs/dbraw/zinc/07/22/39/1076072239.db2.gz LVPHERFGGVFDGP-UHFFFAOYSA-N 0 0 395.445 -1.073 20 0 GAADRN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001589727849 1076072131 /nfs/dbraw/zinc/07/21/31/1076072131.db2.gz PNSNEVGYLYHABH-UHFFFAOYSA-N 0 0 395.445 -1.073 20 0 GAADRN CC(C)NS(=O)(=O)NCCNC(=O)NCc1nc(-c2nn[nH]n2)cs1 ZINC001589728036 1076071988 /nfs/dbraw/zinc/07/19/88/1076071988.db2.gz VNZMAODPJRFVAY-UHFFFAOYSA-N 0 0 389.467 -1.045 20 0 GAADRN CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001589729777 1076072117 /nfs/dbraw/zinc/07/21/17/1076072117.db2.gz XRBVXHXUFOAQIC-UHFFFAOYSA-N 0 0 389.463 -1.023 20 0 GAADRN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O ZINC001589759061 1076072201 /nfs/dbraw/zinc/07/22/01/1076072201.db2.gz BDPGSPMYSDGZQM-NEPJUHHUSA-N 0 0 395.445 -1.249 20 0 GAADRN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001589759334 1076072106 /nfs/dbraw/zinc/07/21/06/1076072106.db2.gz PKLLONMVKGSIAC-NEPJUHHUSA-N 0 0 395.445 -1.249 20 0 GAADRN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001589759335 1076072036 /nfs/dbraw/zinc/07/20/36/1076072036.db2.gz PKLLONMVKGSIAC-VXGBXAGGSA-N 0 0 395.445 -1.249 20 0 GAADRN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001589759549 1076072523 /nfs/dbraw/zinc/07/25/23/1076072523.db2.gz YQRQPQZXAOLEGW-GHMZBOCLSA-N 0 0 396.433 -1.854 20 0 GAADRN CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001589759559 1076072487 /nfs/dbraw/zinc/07/24/87/1076072487.db2.gz ZDSIHEBFBVLYFR-GHMZBOCLSA-N 0 0 396.433 -1.854 20 0 GAADRN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNc1nccnc1-c1nn[nH]n1 ZINC001589765559 1076072461 /nfs/dbraw/zinc/07/24/61/1076072461.db2.gz IFRKBZQSXNLGNY-VIFPVBQESA-N 0 0 383.438 -1.241 20 0 GAADRN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001589765915 1076072617 /nfs/dbraw/zinc/07/26/17/1076072617.db2.gz PGOLBMOHHHPMMQ-NSHDSACASA-N 0 0 383.438 -1.241 20 0 GAADRN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNc1cnc(-c2nn[nH]n2)cn1 ZINC001589765973 1076072586 /nfs/dbraw/zinc/07/25/86/1076072586.db2.gz SCQUSUYNGCIPCG-NSHDSACASA-N 0 0 383.438 -1.241 20 0 GAADRN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001589778412 1076072564 /nfs/dbraw/zinc/07/25/64/1076072564.db2.gz JLIIEKFIXUPKCF-DGCLKSJQSA-N 0 0 399.419 -1.263 20 0 GAADRN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O ZINC001589778448 1076072644 /nfs/dbraw/zinc/07/26/44/1076072644.db2.gz KZCIFKZSMKLIOM-NEPJUHHUSA-N 0 0 399.419 -1.263 20 0 GAADRN CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001589778718 1076072572 /nfs/dbraw/zinc/07/25/72/1076072572.db2.gz SGQGGTMOYVHJHR-CHWSQXEVSA-N 0 0 399.419 -1.263 20 0 GAADRN C[C@@H](CCCNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589810508 1076073062 /nfs/dbraw/zinc/07/30/62/1076073062.db2.gz AVJSCDJTSGTFHB-GZMMTYOYSA-N 0 0 375.393 -1.109 20 0 GAADRN C[C@H](CCCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589810510 1076073029 /nfs/dbraw/zinc/07/30/29/1076073029.db2.gz AVJSCDJTSGTFHB-KCJUWKMLSA-N 0 0 375.393 -1.109 20 0 GAADRN C[C@@H](CCCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589810512 1076072995 /nfs/dbraw/zinc/07/29/95/1076072995.db2.gz AVJSCDJTSGTFHB-KWQFWETISA-N 0 0 375.393 -1.109 20 0 GAADRN C[C@H](CCCNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589810514 1076072970 /nfs/dbraw/zinc/07/29/70/1076072970.db2.gz AVJSCDJTSGTFHB-LDYMZIIASA-N 0 0 375.393 -1.109 20 0 GAADRN C[C@@H](CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001589811040 1076072904 /nfs/dbraw/zinc/07/29/04/1076072904.db2.gz FRCPTJPNZCRRES-GZMMTYOYSA-N 0 0 375.393 -1.109 20 0 GAADRN 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/nfs/dbraw/zinc/07/83/82/1076078382.db2.gz BGLQYINMICHARO-IUCAKERBSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001589922747 1076078324 /nfs/dbraw/zinc/07/83/24/1076078324.db2.gz BGLQYINMICHARO-RKDXNWHRSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001589922760 1076078291 /nfs/dbraw/zinc/07/82/91/1076078291.db2.gz BXEZWNGTGWEQAK-BDAKNGLRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001589922762 1076078457 /nfs/dbraw/zinc/07/84/57/1076078457.db2.gz BXEZWNGTGWEQAK-DTWKUNHWSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001589922764 1076078352 /nfs/dbraw/zinc/07/83/52/1076078352.db2.gz BXEZWNGTGWEQAK-IUCAKERBSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001589922766 1076078444 /nfs/dbraw/zinc/07/84/44/1076078444.db2.gz BXEZWNGTGWEQAK-RKDXNWHRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)C(=O)N(C)C ZINC001589922773 1076078397 /nfs/dbraw/zinc/07/83/97/1076078397.db2.gz CCRHJCXGULZUNF-GFCCVEGCSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@H](NC(=O)CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)C(=O)N(C)C ZINC001589922778 1076078361 /nfs/dbraw/zinc/07/83/61/1076078361.db2.gz CCRHJCXGULZUNF-LBPRGKRZSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C ZINC001589922808 1076078474 /nfs/dbraw/zinc/07/84/74/1076078474.db2.gz DLZOXYLCJQNYTM-SECBINFHSA-N 0 0 381.418 -1.262 20 0 GAADRN C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C ZINC001589922810 1076078433 /nfs/dbraw/zinc/07/84/33/1076078433.db2.gz DLZOXYLCJQNYTM-VIFPVBQESA-N 0 0 381.418 -1.262 20 0 GAADRN C[C@@H](NC(=O)CN1CCN(c2cnccc2-c2nn[nH]n2)CC1)C(=O)N(C)C ZINC001589922812 1076078970 /nfs/dbraw/zinc/07/89/70/1076078970.db2.gz FIZKRBHYVXYXAG-GFCCVEGCSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@H](NC(=O)CN1CCN(c2cnccc2-c2nn[nH]n2)CC1)C(=O)N(C)C ZINC001589922814 1076078831 /nfs/dbraw/zinc/07/88/31/1076078831.db2.gz FIZKRBHYVXYXAG-LBPRGKRZSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001589922860 1076078957 /nfs/dbraw/zinc/07/89/57/1076078957.db2.gz HOUAJMGBOHIODF-BDAKNGLRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](Nc1nccnc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001589922862 1076078900 /nfs/dbraw/zinc/07/89/00/1076078900.db2.gz HOUAJMGBOHIODF-DTWKUNHWSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001589922865 1076078850 /nfs/dbraw/zinc/07/88/50/1076078850.db2.gz HOUAJMGBOHIODF-IUCAKERBSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001589922867 1076078946 /nfs/dbraw/zinc/07/89/46/1076078946.db2.gz HOUAJMGBOHIODF-RKDXNWHRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1CCN(c2ncccc2-c2nn[nH]n2)CC1)C(=O)N(C)C ZINC001589923028 1076078986 /nfs/dbraw/zinc/07/89/86/1076078986.db2.gz KGUZQFHGNHOOSW-GFCCVEGCSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@H](NC(=O)CN1CCN(c2ncccc2-c2nn[nH]n2)CC1)C(=O)N(C)C ZINC001589923031 1076078699 /nfs/dbraw/zinc/07/86/99/1076078699.db2.gz KGUZQFHGNHOOSW-LBPRGKRZSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@@H](NC(=O)CN1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)C(=O)N(C)C ZINC001589923059 1076078793 /nfs/dbraw/zinc/07/87/93/1076078793.db2.gz KVWWNXNSWPYPKX-GFCCVEGCSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@H](NC(=O)CN1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)C(=O)N(C)C ZINC001589923061 1076078865 /nfs/dbraw/zinc/07/88/65/1076078865.db2.gz KVWWNXNSWPYPKX-LBPRGKRZSA-N 0 0 387.448 -1.023 20 0 GAADRN C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589923204 1076078740 /nfs/dbraw/zinc/07/87/40/1076078740.db2.gz PMUDVFYRZOWQHY-BDAKNGLRSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001589923296 1076078712 /nfs/dbraw/zinc/07/87/12/1076078712.db2.gz CBZMZGJEQYLQJR-PELKAZGASA-N 0 0 387.404 -1.205 20 0 GAADRN C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001589923297 1076079254 /nfs/dbraw/zinc/07/92/54/1076079254.db2.gz CBZMZGJEQYLQJR-PRHODGIISA-N 0 0 387.404 -1.205 20 0 GAADRN C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001589923298 1076079380 /nfs/dbraw/zinc/07/93/80/1076079380.db2.gz CBZMZGJEQYLQJR-QPUJVOFHSA-N 0 0 387.404 -1.205 20 0 GAADRN C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001589923299 1076079213 /nfs/dbraw/zinc/07/92/13/1076079213.db2.gz CBZMZGJEQYLQJR-UFBFGSQYSA-N 0 0 387.404 -1.205 20 0 GAADRN C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001589923306 1076079159 /nfs/dbraw/zinc/07/91/59/1076079159.db2.gz PMUDVFYRZOWQHY-DTWKUNHWSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@H](NC(=O)CN1C(=O)CCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589923309 1076079358 /nfs/dbraw/zinc/07/93/58/1076079358.db2.gz PMUDVFYRZOWQHY-IUCAKERBSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589923311 1076079288 /nfs/dbraw/zinc/07/92/88/1076079288.db2.gz PMUDVFYRZOWQHY-RKDXNWHRSA-N 0 0 388.388 -1.033 20 0 GAADRN C[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001589923321 1076079192 /nfs/dbraw/zinc/07/91/92/1076079192.db2.gz PURRTNGLKWBNCJ-BDAKNGLRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001589923323 1076079273 /nfs/dbraw/zinc/07/92/73/1076079273.db2.gz PURRTNGLKWBNCJ-DTWKUNHWSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001589923325 1076079305 /nfs/dbraw/zinc/07/93/05/1076079305.db2.gz PURRTNGLKWBNCJ-IUCAKERBSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001589923327 1076079173 /nfs/dbraw/zinc/07/91/73/1076079173.db2.gz PURRTNGLKWBNCJ-RKDXNWHRSA-N 0 0 388.392 -1.144 20 0 GAADRN C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCF ZINC001589923563 1076079232 /nfs/dbraw/zinc/07/92/32/1076079232.db2.gz VPUQKDGTBROTMP-SECBINFHSA-N 0 0 399.408 -1.265 20 0 GAADRN C[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCF ZINC001589923566 1076079395 /nfs/dbraw/zinc/07/93/95/1076079395.db2.gz VPUQKDGTBROTMP-VIFPVBQESA-N 0 0 399.408 -1.265 20 0 GAADRN C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)nc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001589926420 1076079818 /nfs/dbraw/zinc/07/98/18/1076079818.db2.gz OYVXPEYXHHVTEX-JTQLQIEISA-N 0 0 393.429 -1.434 20 0 GAADRN C[C@@H](NC(=O)Cc1ccc(-c2nn[nH]n2)nc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001589926421 1076079583 /nfs/dbraw/zinc/07/95/83/1076079583.db2.gz OYVXPEYXHHVTEX-SNVBAGLBSA-N 0 0 393.429 -1.434 20 0 GAADRN C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(C(=O)CS(C)(=O)=O)C1 ZINC001589940667 1076079668 /nfs/dbraw/zinc/07/96/68/1076079668.db2.gz GFZRNRGQXLXOMF-MRVPVSSYSA-N 0 0 381.418 -1.184 20 0 GAADRN C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(C(=O)CS(C)(=O)=O)C1 ZINC001589940670 1076079710 /nfs/dbraw/zinc/07/97/10/1076079710.db2.gz GFZRNRGQXLXOMF-QMMMGPOBSA-N 0 0 381.418 -1.184 20 0 GAADRN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C(=O)CCn2cnnn2)C1 ZINC001589940694 1076079802 /nfs/dbraw/zinc/07/98/02/1076079802.db2.gz DCHATIJDULUHLX-SECBINFHSA-N 0 0 385.392 -1.152 20 0 GAADRN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C(=O)CCn2cnnn2)C1 ZINC001589940711 1076079765 /nfs/dbraw/zinc/07/97/65/1076079765.db2.gz DCHATIJDULUHLX-VIFPVBQESA-N 0 0 385.392 -1.152 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(CO)(CO)C1 ZINC001589972988 1076079988 /nfs/dbraw/zinc/07/99/88/1076079988.db2.gz CXZOIGZFXHKUCH-JTQLQIEISA-N 0 0 396.429 -1.653 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(CO)(CO)C1 ZINC001589972990 1076080221 /nfs/dbraw/zinc/08/02/21/1076080221.db2.gz CXZOIGZFXHKUCH-SNVBAGLBSA-N 0 0 396.429 -1.653 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(C(N)=O)C1 ZINC001589973293 1076080118 /nfs/dbraw/zinc/08/01/18/1076080118.db2.gz DQAROKLGTRBQRU-MRVPVSSYSA-N 0 0 379.402 -1.523 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(C(N)=O)C1 ZINC001589973295 1076080009 /nfs/dbraw/zinc/08/00/09/1076080009.db2.gz DQAROKLGTRBQRU-QMMMGPOBSA-N 0 0 379.402 -1.523 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@]1(CO)CCOC1 ZINC001589973727 1076080084 /nfs/dbraw/zinc/08/00/84/1076080084.db2.gz JQYZLIHJCYBYSF-BMIGLBTASA-N 0 0 396.429 -1.199 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@]1(CO)CCOC1 ZINC001589973728 1076080163 /nfs/dbraw/zinc/08/01/63/1076080163.db2.gz JQYZLIHJCYBYSF-BONVTDFDSA-N 0 0 396.429 -1.199 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@]1(CO)CCOC1 ZINC001589973729 1076080241 /nfs/dbraw/zinc/08/02/41/1076080241.db2.gz JQYZLIHJCYBYSF-MEBBXXQBSA-N 0 0 396.429 -1.199 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@]1(CO)CCOC1 ZINC001589973730 1076080067 /nfs/dbraw/zinc/08/00/67/1076080067.db2.gz JQYZLIHJCYBYSF-ZUZCIYMTSA-N 0 0 396.429 -1.199 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@H](O)CO ZINC001589974817 1076080037 /nfs/dbraw/zinc/08/00/37/1076080037.db2.gz RVCQKHAOVDUCTI-KOLCDFICSA-N 0 0 384.418 -1.655 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@H](O)CO ZINC001589974819 1076080052 /nfs/dbraw/zinc/08/00/52/1076080052.db2.gz RVCQKHAOVDUCTI-ONGXEEELSA-N 0 0 384.418 -1.655 20 0 GAADRN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O ZINC001589975017 1076080204 /nfs/dbraw/zinc/08/02/04/1076080204.db2.gz AUOJYLPPSJEKDD-AXTRIDKLSA-N 0 0 396.433 -2.135 20 0 GAADRN 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C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(C)(C(N)=O)C1 ZINC001589975486 1076080453 /nfs/dbraw/zinc/08/04/53/1076080453.db2.gz BUOKKKKPAWZZCA-SECBINFHSA-N 0 0 393.429 -1.133 20 0 GAADRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(C)(C(N)=O)C1 ZINC001589975488 1076080683 /nfs/dbraw/zinc/08/06/83/1076080683.db2.gz BUOKKKKPAWZZCA-VIFPVBQESA-N 0 0 393.429 -1.133 20 0 GAADRN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001589975548 1076080627 /nfs/dbraw/zinc/08/06/27/1076080627.db2.gz DHOVDDDZWXBGBD-AEJSXWLSSA-N 0 0 395.449 -1.322 20 0 GAADRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001589975550 1076080717 /nfs/dbraw/zinc/08/07/17/1076080717.db2.gz DHOVDDDZWXBGBD-BBBLOLIVSA-N 0 0 395.449 -1.322 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001589975719 1076080731 /nfs/dbraw/zinc/08/07/31/1076080731.db2.gz KDFOBGIOSDXVKI-DXLKZPDWSA-N 0 0 396.429 -1.466 20 0 GAADRN 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GAADRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001589976107 1076081080 /nfs/dbraw/zinc/08/10/80/1076081080.db2.gz IRIYWKQVHKBHSQ-ZDAZMGEQSA-N 0 0 396.429 -1.466 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CNC(=O)C1 ZINC001589976227 1076080849 /nfs/dbraw/zinc/08/08/49/1076080849.db2.gz OCSZWWMIDWEVRU-PSASIEDQSA-N 0 0 379.402 -1.462 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CNC(=O)C1 ZINC001589976228 1076081043 /nfs/dbraw/zinc/08/10/43/1076081043.db2.gz OCSZWWMIDWEVRU-SCZZXKLOSA-N 0 0 379.402 -1.462 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CNC(=O)C1 ZINC001589976229 1076081020 /nfs/dbraw/zinc/08/10/20/1076081020.db2.gz OCSZWWMIDWEVRU-WCBMZHEXSA-N 0 0 379.402 -1.462 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CNC(=O)C1 ZINC001589976230 1076080910 /nfs/dbraw/zinc/08/09/10/1076080910.db2.gz OCSZWWMIDWEVRU-WPRPVWTQSA-N 0 0 379.402 -1.462 20 0 GAADRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001589976365 1076080891 /nfs/dbraw/zinc/08/08/91/1076080891.db2.gz JQDYKAIADKBIDS-FBIMIBRVSA-N 0 0 396.433 -2.135 20 0 GAADRN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001589976368 1076080960 /nfs/dbraw/zinc/08/09/60/1076080960.db2.gz JQDYKAIADKBIDS-JMJZKYOTSA-N 0 0 396.433 -2.135 20 0 GAADRN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001589976424 1076080980 /nfs/dbraw/zinc/08/09/80/1076080980.db2.gz KZENTMIBIZWGJF-FXPVBKGRSA-N 0 0 395.449 -1.147 20 0 GAADRN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001589976426 1076081149 /nfs/dbraw/zinc/08/11/49/1076081149.db2.gz KZENTMIBIZWGJF-WCABBAIRSA-N 0 0 395.449 -1.147 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1nnn(C)n1 ZINC001589976631 1076080942 /nfs/dbraw/zinc/08/09/42/1076080942.db2.gz UBIHFZXGHRETSU-MRVPVSSYSA-N 0 0 393.389 -1.200 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1nnn(C)n1 ZINC001589976633 1076080870 /nfs/dbraw/zinc/08/08/70/1076080870.db2.gz UBIHFZXGHRETSU-QMMMGPOBSA-N 0 0 393.389 -1.200 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cnnc1 ZINC001589976645 1076081354 /nfs/dbraw/zinc/08/13/54/1076081354.db2.gz UCLHDHNJTRKMRJ-JTQLQIEISA-N 0 0 391.417 -1.059 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cnnc1 ZINC001589976650 1076081341 /nfs/dbraw/zinc/08/13/41/1076081341.db2.gz UCLHDHNJTRKMRJ-SNVBAGLBSA-N 0 0 391.417 -1.059 20 0 GAADRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001589976659 1076081404 /nfs/dbraw/zinc/08/14/04/1076081404.db2.gz MFSCVZKSIWCHOY-FXPVBKGRSA-N 0 0 395.449 -1.465 20 0 GAADRN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001589976664 1076081535 /nfs/dbraw/zinc/08/15/35/1076081535.db2.gz MFSCVZKSIWCHOY-WCABBAIRSA-N 0 0 395.449 -1.465 20 0 GAADRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CN(C)NC1=O ZINC001589976872 1076081590 /nfs/dbraw/zinc/08/15/90/1076081590.db2.gz MLDQVJOVURPPTO-GZMMTYOYSA-N 0 0 394.417 -2.005 20 0 GAADRN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CN(C)NC1=O ZINC001589976885 1076081445 /nfs/dbraw/zinc/08/14/45/1076081445.db2.gz MLDQVJOVURPPTO-KCJUWKMLSA-N 0 0 394.417 -2.005 20 0 GAADRN C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CN(C)NC1=O ZINC001589976887 1076081468 /nfs/dbraw/zinc/08/14/68/1076081468.db2.gz MLDQVJOVURPPTO-KWQFWETISA-N 0 0 394.417 -2.005 20 0 GAADRN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CN(C)NC1=O ZINC001589976889 1076081316 /nfs/dbraw/zinc/08/13/16/1076081316.db2.gz MLDQVJOVURPPTO-LDYMZIIASA-N 0 0 394.417 -2.005 20 0 GAADRN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCCNc1cncc(-c2nn[nH]n2)n1 ZINC001589976899 1076081289 /nfs/dbraw/zinc/08/12/89/1076081289.db2.gz PBQSFFMAUKVZCJ-SECBINFHSA-N 0 0 383.438 -1.145 20 0 GAADRN 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C[C@@H](O)CN(C(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H](C)CO ZINC001589997489 1076082454 /nfs/dbraw/zinc/08/24/54/1076082454.db2.gz BVTCCCAQIBQFCU-WDEREUQCSA-N 0 0 392.420 -1.620 20 0 GAADRN C[C@@H](O)CN(C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)C1CC1 ZINC001589997826 1076082366 /nfs/dbraw/zinc/08/23/66/1076082366.db2.gz FIKNNQGZRCLLEL-SECBINFHSA-N 0 0 391.436 -1.065 20 0 GAADRN C[C@H](O)CN(C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)C1CC1 ZINC001589997832 1076082418 /nfs/dbraw/zinc/08/24/18/1076082418.db2.gz FIKNNQGZRCLLEL-VIFPVBQESA-N 0 0 391.436 -1.065 20 0 GAADRN C[C@@H](O)CN(C(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](C)CO ZINC001589999657 1076082327 /nfs/dbraw/zinc/08/23/27/1076082327.db2.gz AEHMHHWPUQWGHR-GHMZBOCLSA-N 0 0 398.445 -1.265 20 0 GAADRN C[C@H](CO)N(C[C@H](C)O)C(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001589999659 1076082079 /nfs/dbraw/zinc/08/20/79/1076082079.db2.gz AEHMHHWPUQWGHR-MNOVXSKESA-N 0 0 398.445 -1.265 20 0 GAADRN 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ZINC001591876015 1076172161 /nfs/dbraw/zinc/17/21/61/1076172161.db2.gz JZPDJLRSZIXHMK-LLVKDONJSA-N 0 0 381.418 -1.040 20 0 GAADRN Cc1cc(-c2nn[nH]n2)cnc1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001591876017 1076172220 /nfs/dbraw/zinc/17/22/20/1076172220.db2.gz JZPDJLRSZIXHMK-NSHDSACASA-N 0 0 381.418 -1.040 20 0 GAADRN Cc1cc(-c2nn[nH]n2)cnc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001591876548 1076172206 /nfs/dbraw/zinc/17/22/06/1076172206.db2.gz OKVHUTOYNUYEAD-UHFFFAOYSA-N 0 0 383.376 -1.459 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCN(C)C(=O)CN2C(=O)CNC2=O)n1 ZINC001591881526 1076172229 /nfs/dbraw/zinc/17/22/29/1076172229.db2.gz AJCNLRWFWVHZSW-UHFFFAOYSA-N 0 0 388.392 -1.588 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCCNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001591881550 1076172264 /nfs/dbraw/zinc/17/22/64/1076172264.db2.gz BUGUPXBGJGRKGP-UHFFFAOYSA-N 0 0 387.404 -1.040 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCCNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001591881894 1076172109 /nfs/dbraw/zinc/17/21/09/1076172109.db2.gz LTBDABMEJLJDCP-JTQLQIEISA-N 0 0 387.404 -1.040 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001591881896 1076172191 /nfs/dbraw/zinc/17/21/91/1076172191.db2.gz LTBDABMEJLJDCP-SNVBAGLBSA-N 0 0 387.404 -1.040 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001591882723 1076172239 /nfs/dbraw/zinc/17/22/39/1076172239.db2.gz UVPAJOJUPRNYTA-NXEZZACHSA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001591882724 1076172087 /nfs/dbraw/zinc/17/20/87/1076172087.db2.gz UVPAJOJUPRNYTA-UWVGGRQHSA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001591882725 1076172255 /nfs/dbraw/zinc/17/22/55/1076172255.db2.gz UVPAJOJUPRNYTA-VHSXEESVSA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001591882726 1076172148 /nfs/dbraw/zinc/17/21/48/1076172148.db2.gz UVPAJOJUPRNYTA-ZJUUUORDSA-N 0 0 387.404 -1.041 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](C)NC(=O)CN2C(=O)CNC2=O)n1 ZINC001591883444 1076172183 /nfs/dbraw/zinc/17/21/83/1076172183.db2.gz MAQODQUCYCGHRQ-SECBINFHSA-N 0 0 388.392 -1.542 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](C)NC(=O)CN2C(=O)CNC2=O)n1 ZINC001591883445 1076172155 /nfs/dbraw/zinc/17/21/55/1076172155.db2.gz MAQODQUCYCGHRQ-VIFPVBQESA-N 0 0 388.392 -1.542 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001591883457 1076172128 /nfs/dbraw/zinc/17/21/28/1076172128.db2.gz NKCGKCMSGJLNSL-JTQLQIEISA-N 0 0 389.420 -1.514 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001591883458 1076172177 /nfs/dbraw/zinc/17/21/77/1076172177.db2.gz NKCGKCMSGJLNSL-SNVBAGLBSA-N 0 0 389.420 -1.514 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@@H]2CCCN(C(=O)CC(N)=O)C2)n1 ZINC001591883776 1076172196 /nfs/dbraw/zinc/17/21/96/1076172196.db2.gz FWSHSENSYHTQSR-LLVKDONJSA-N 0 0 389.420 -1.370 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@H]2CCCN(C(=O)CC(N)=O)C2)n1 ZINC001591883777 1076172169 /nfs/dbraw/zinc/17/21/69/1076172169.db2.gz FWSHSENSYHTQSR-NSHDSACASA-N 0 0 389.420 -1.370 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCN(C)C(=O)CC(N)=O)n1 ZINC001591884135 1076172705 /nfs/dbraw/zinc/17/27/05/1076172705.db2.gz AYGJZHCHCSVUNB-UHFFFAOYSA-N 0 0 377.409 -1.248 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001591884173 1076172798 /nfs/dbraw/zinc/17/27/98/1076172798.db2.gz CKQUBCXGGFWMJN-LLVKDONJSA-N 0 0 391.392 -1.357 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001591884176 1076172606 /nfs/dbraw/zinc/17/26/06/1076172606.db2.gz CKQUBCXGGFWMJN-NSHDSACASA-N 0 0 391.392 -1.357 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)Cn3ncnn3)C(C)(C)C2)n1 ZINC001591884311 1076172651 /nfs/dbraw/zinc/17/26/51/1076172651.db2.gz WKGHMLBLEJSJPO-LLVKDONJSA-N 0 0 384.408 -1.017 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H](NC(=O)Cn3ncnn3)C(C)(C)C2)n1 ZINC001591884312 1076172744 /nfs/dbraw/zinc/17/27/44/1076172744.db2.gz WKGHMLBLEJSJPO-NSHDSACASA-N 0 0 384.408 -1.017 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCNC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC001591884408 1076172634 /nfs/dbraw/zinc/17/26/34/1076172634.db2.gz QOBQRMUJFXFSDM-UHFFFAOYSA-N 0 0 388.392 -1.588 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)Cn2cncn2)n1 ZINC001591884496 1076172686 /nfs/dbraw/zinc/17/26/86/1076172686.db2.gz IFYJDRMLNNUNGW-UHFFFAOYSA-N 0 0 387.408 -1.174 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001591884498 1076172583 /nfs/dbraw/zinc/17/25/83/1076172583.db2.gz IJSFPLRQYXDXAW-LLVKDONJSA-N 0 0 390.408 -1.784 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001591884499 1076172667 /nfs/dbraw/zinc/17/26/67/1076172667.db2.gz IJSFPLRQYXDXAW-NSHDSACASA-N 0 0 390.408 -1.784 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001591884524 1076172562 /nfs/dbraw/zinc/17/25/62/1076172562.db2.gz JRCQOPIVNOTKEC-MNOVXSKESA-N 0 0 389.420 -1.344 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)c2cnn(C)n2)n1 ZINC001591884526 1076172728 /nfs/dbraw/zinc/17/27/28/1076172728.db2.gz JVADLZZOWVRSPH-UHFFFAOYSA-N 0 0 387.408 -1.024 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)c2ncn(C)n2)n1 ZINC001591884547 1076172621 /nfs/dbraw/zinc/17/26/21/1076172621.db2.gz KVWJIALQSQBBOB-UHFFFAOYSA-N 0 0 387.408 -1.024 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)c2cn(C)nn2)n1 ZINC001591884578 1076172765 /nfs/dbraw/zinc/17/27/65/1076172765.db2.gz MGCCCBHWRVSILK-UHFFFAOYSA-N 0 0 387.408 -1.024 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)Cc2nc[nH]n2)n1 ZINC001591884774 1076172543 /nfs/dbraw/zinc/17/25/43/1076172543.db2.gz YPJQTSVPGZFRJT-UHFFFAOYSA-N 0 0 387.408 -1.105 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4nnn(C)n4)[C@@H]3C2)n1 ZINC001591885039 1076172596 /nfs/dbraw/zinc/17/25/96/1076172596.db2.gz DBDIRYVHMJFEIS-OWUUHHOZSA-N 0 0 382.392 -1.399 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)n1 ZINC001591885093 1076172780 /nfs/dbraw/zinc/17/27/80/1076172780.db2.gz HLFJKLNKACEOLK-FIQHERPVSA-N 0 0 383.416 -1.100 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)n1 ZINC001591885094 1076172813 /nfs/dbraw/zinc/17/28/13/1076172813.db2.gz HLFJKLNKACEOLK-KKOKHZNYSA-N 0 0 383.416 -1.100 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC=C(CNC(=O)Cn3ncnn3)CC2)n1 ZINC001591885536 1076173091 /nfs/dbraw/zinc/17/30/91/1076173091.db2.gz RTHALBSOHKLXMB-UHFFFAOYSA-N 0 0 382.392 -1.095 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)n1 ZINC001591885920 1076173155 /nfs/dbraw/zinc/17/31/55/1076173155.db2.gz XEZNKZUBGGLQQF-ROHXPCBUSA-N 0 0 383.416 -1.115 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001591886105 1076173232 /nfs/dbraw/zinc/17/32/32/1076173232.db2.gz BDGBYBWIQCTWJI-GFCCVEGCSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001591886106 1076173224 /nfs/dbraw/zinc/17/32/24/1076173224.db2.gz BDGBYBWIQCTWJI-LBPRGKRZSA-N 0 0 386.420 -1.021 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)n1 ZINC001591886305 1076173146 /nfs/dbraw/zinc/17/31/46/1076173146.db2.gz AKVOAZWRTQDUEO-AAEUAGOBSA-N 0 0 384.404 -1.013 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cc3cc[nH]n3)[C@H](O)C2)n1 ZINC001591886306 1076173135 /nfs/dbraw/zinc/17/31/35/1076173135.db2.gz AKVOAZWRTQDUEO-DGCLKSJQSA-N 0 0 384.404 -1.013 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H](O)C2)n1 ZINC001591886307 1076173165 /nfs/dbraw/zinc/17/31/65/1076173165.db2.gz AKVOAZWRTQDUEO-WCQYABFASA-N 0 0 384.404 -1.013 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)n1 ZINC001591886308 1076173126 /nfs/dbraw/zinc/17/31/26/1076173126.db2.gz AKVOAZWRTQDUEO-YPMHNXCESA-N 0 0 384.404 -1.013 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H](O)C2)n1 ZINC001591886445 1076173183 /nfs/dbraw/zinc/17/31/83/1076173183.db2.gz HGCRMHYRDRKUCU-FUVSOYRFSA-N 0 0 386.416 -1.087 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)n1 ZINC001591886447 1076173198 /nfs/dbraw/zinc/17/31/98/1076173198.db2.gz HGCRMHYRDRKUCU-GGFUIZRSSA-N 0 0 386.416 -1.087 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)n1 ZINC001591886449 1076173190 /nfs/dbraw/zinc/17/31/90/1076173190.db2.gz HGCRMHYRDRKUCU-QXJJFIIZSA-N 0 0 386.416 -1.087 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H](O)C2)n1 ZINC001591886451 1076173105 /nfs/dbraw/zinc/17/31/05/1076173105.db2.gz HGCRMHYRDRKUCU-VGYDOTAVSA-N 0 0 386.416 -1.087 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001591886635 1076173215 /nfs/dbraw/zinc/17/32/15/1076173215.db2.gz SPSNVVUMPPYYAW-JTQLQIEISA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001591886636 1076173116 /nfs/dbraw/zinc/17/31/16/1076173116.db2.gz SPSNVVUMPPYYAW-SNVBAGLBSA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001591886699 1076173175 /nfs/dbraw/zinc/17/31/75/1076173175.db2.gz ZQDQKIMOVHYMOZ-LLVKDONJSA-N 0 0 386.420 -1.827 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001591886700 1076173207 /nfs/dbraw/zinc/17/32/07/1076173207.db2.gz ZQDQKIMOVHYMOZ-NSHDSACASA-N 0 0 386.420 -1.827 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCC3(CC2)CN(C(=O)C(N)=O)CCO3)n1 ZINC001591887068 1076173508 /nfs/dbraw/zinc/17/35/08/1076173508.db2.gz YDVLSRDHGHMTSO-UHFFFAOYSA-N 0 0 387.404 -1.352 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC001591887281 1076173537 /nfs/dbraw/zinc/17/35/37/1076173537.db2.gz AEMFDEPDEITYTJ-UHFFFAOYSA-N 0 0 395.449 -1.336 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001591887632 1076173492 /nfs/dbraw/zinc/17/34/92/1076173492.db2.gz CVNLQBJBXXKTHM-SNVBAGLBSA-N 0 0 385.388 -1.191 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001591887660 1076173706 /nfs/dbraw/zinc/17/37/06/1076173706.db2.gz DTDMXXKTYAOGGX-NXEZZACHSA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001591887662 1076173689 /nfs/dbraw/zinc/17/36/89/1076173689.db2.gz DTDMXXKTYAOGGX-VHSXEESVSA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]3C2)n1 ZINC001591887779 1076173526 /nfs/dbraw/zinc/17/35/26/1076173526.db2.gz CHWKZEAZZXDMCD-NEPJUHHUSA-N 0 0 396.419 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001591887846 1076173626 /nfs/dbraw/zinc/17/36/26/1076173626.db2.gz DTDMXXKTYAOGGX-UWVGGRQHSA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001591887849 1076173594 /nfs/dbraw/zinc/17/35/94/1076173594.db2.gz DTDMXXKTYAOGGX-ZJUUUORDSA-N 0 0 385.388 -1.287 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 ZINC001591888242 1076173663 /nfs/dbraw/zinc/17/36/63/1076173663.db2.gz GZZPFOBCKWHXFF-JTQLQIEISA-N 0 0 387.404 -1.448 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 ZINC001591888248 1076173557 /nfs/dbraw/zinc/17/35/57/1076173557.db2.gz GZZPFOBCKWHXFF-SNVBAGLBSA-N 0 0 387.404 -1.448 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)n1 ZINC001591888354 1076173448 /nfs/dbraw/zinc/17/34/48/1076173448.db2.gz YXOSUTOXBCRFBK-UHFFFAOYSA-N 0 0 385.388 -1.333 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]3C2)n1 ZINC001591888371 1076173480 /nfs/dbraw/zinc/17/34/80/1076173480.db2.gz RDRLFOLGFICIPS-NEPJUHHUSA-N 0 0 396.419 -1.063 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C2)n1 ZINC001591888428 1076173678 /nfs/dbraw/zinc/17/36/78/1076173678.db2.gz MPYBKAWVQFYHPR-JTQLQIEISA-N 0 0 389.420 -1.202 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C2)n1 ZINC001591888431 1076173698 /nfs/dbraw/zinc/17/36/98/1076173698.db2.gz MPYBKAWVQFYHPR-SNVBAGLBSA-N 0 0 389.420 -1.202 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](C)C2)n1 ZINC001591888500 1076173637 /nfs/dbraw/zinc/17/36/37/1076173637.db2.gz IZRDDBKJUSAZBW-PSASIEDQSA-N 0 0 384.408 -1.009 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 ZINC001591888786 1076173575 /nfs/dbraw/zinc/17/35/75/1076173575.db2.gz OBZYECDMVBICFO-INIZCTEOSA-N 0 0 387.404 -1.352 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 ZINC001591888787 1076173609 /nfs/dbraw/zinc/17/36/09/1076173609.db2.gz OBZYECDMVBICFO-MRXNPFEDSA-N 0 0 387.404 -1.352 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001591889045 1076173472 /nfs/dbraw/zinc/17/34/72/1076173472.db2.gz WQSOSDFFUOJCQK-GHMZBOCLSA-N 0 0 387.404 -1.577 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001591889046 1076173650 /nfs/dbraw/zinc/17/36/50/1076173650.db2.gz WQSOSDFFUOJCQK-MNOVXSKESA-N 0 0 387.404 -1.577 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001591889047 1076174156 /nfs/dbraw/zinc/17/41/56/1076174156.db2.gz WQSOSDFFUOJCQK-QWRGUYRKSA-N 0 0 387.404 -1.577 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001591889048 1076174257 /nfs/dbraw/zinc/17/42/57/1076174257.db2.gz WQSOSDFFUOJCQK-WDEREUQCSA-N 0 0 387.404 -1.577 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@](C)(CNC(=O)CC(N)=O)C2)n1 ZINC001591889052 1076174067 /nfs/dbraw/zinc/17/40/67/1076174067.db2.gz XCFLQRVSVHBBDC-HNNXBMFYSA-N 0 0 375.393 -1.448 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@](C)(CNC(=O)CC(N)=O)C2)n1 ZINC001591889053 1076174130 /nfs/dbraw/zinc/17/41/30/1076174130.db2.gz XCFLQRVSVHBBDC-OAHLLOKOSA-N 0 0 375.393 -1.448 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001591890083 1076174228 /nfs/dbraw/zinc/17/42/28/1076174228.db2.gz GORDJRCRTSBQQN-VXGBXAGGSA-N 0 0 398.387 -1.962 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C2)n1 ZINC001591890090 1076174285 /nfs/dbraw/zinc/17/42/85/1076174285.db2.gz HEXDFZROPOWPAU-RKDXNWHRSA-N 0 0 397.346 -1.988 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCO4)C2)n1 ZINC001591890163 1076174193 /nfs/dbraw/zinc/17/41/93/1076174193.db2.gz MRTFGJIDKPKMRB-VXGBXAGGSA-N 0 0 398.387 -1.466 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C2)n1 ZINC001591890183 1076174302 /nfs/dbraw/zinc/17/43/02/1076174302.db2.gz NYVCNIFFPQNMGW-GHMZBOCLSA-N 0 0 396.433 -1.934 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)n1 ZINC001591890221 1076174334 /nfs/dbraw/zinc/17/43/34/1076174334.db2.gz QTGUTAHRXIVGIZ-VXGBXAGGSA-N 0 0 398.387 -1.962 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CCc3cnn(C)c3)C2)n1 ZINC001591890270 1076174173 /nfs/dbraw/zinc/17/41/73/1076174173.db2.gz VKUHPVDUZZUDNP-ZIAGYGMSSA-N 0 0 398.431 -1.003 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)n1 ZINC001591890279 1076174272 /nfs/dbraw/zinc/17/42/72/1076174272.db2.gz WNUIYLTVHKWDIK-CHWSQXEVSA-N 0 0 383.372 -1.422 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)n1 ZINC001591890280 1076174082 /nfs/dbraw/zinc/17/40/82/1076174082.db2.gz WOBMUJLBHQBVJY-VXGBXAGGSA-N 0 0 390.404 -1.216 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)n3C)C2)n1 ZINC001591890292 1076174141 /nfs/dbraw/zinc/17/41/41/1076174141.db2.gz WXYQSXXSZLLFCR-DGCLKSJQSA-N 0 0 397.399 -1.357 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001591890321 1076174241 /nfs/dbraw/zinc/17/42/41/1076174241.db2.gz ZASHZTAVQLHUPS-CHWSQXEVSA-N 0 0 397.399 -1.357 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)[C@@H](O)C2)n1 ZINC001591890336 1076174115 /nfs/dbraw/zinc/17/41/15/1076174115.db2.gz AFUPPARRXNCIMS-JLLWLGSASA-N 0 0 387.404 -1.891 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@@H](O)C2)n1 ZINC001591890342 1076174101 /nfs/dbraw/zinc/17/41/01/1076174101.db2.gz AFUPPARRXNCIMS-WCQGTBRESA-N 0 0 387.404 -1.891 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001591890447 1076174032 /nfs/dbraw/zinc/17/40/32/1076174032.db2.gz FSZPBMBESOVMNR-GXSJLCMTSA-N 0 0 375.393 -1.132 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001591890448 1076174049 /nfs/dbraw/zinc/17/40/49/1076174049.db2.gz FSZPBMBESOVMNR-KOLCDFICSA-N 0 0 375.393 -1.132 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001591890449 1076174728 /nfs/dbraw/zinc/17/47/28/1076174728.db2.gz FSZPBMBESOVMNR-MWLCHTKSSA-N 0 0 375.393 -1.132 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001591890451 1076174617 /nfs/dbraw/zinc/17/46/17/1076174617.db2.gz FSZPBMBESOVMNR-ONGXEEELSA-N 0 0 375.393 -1.132 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C2)n1 ZINC001591890503 1076174669 /nfs/dbraw/zinc/17/46/69/1076174669.db2.gz HEXDFZROPOWPAU-BDAKNGLRSA-N 0 0 397.346 -1.988 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@]3(C)C2)n1 ZINC001591890510 1076174597 /nfs/dbraw/zinc/17/45/97/1076174597.db2.gz HWKVPEBOLUQZLR-GSDQYQHOSA-N 0 0 398.431 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@]3(C)C2)n1 ZINC001591890511 1076174576 /nfs/dbraw/zinc/17/45/76/1076174576.db2.gz HWKVPEBOLUQZLR-QAGHZCBJSA-N 0 0 398.431 -1.069 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)c3cc4n(n3)CCO4)[C@@H](O)C2)n1 ZINC001591890771 1076174696 /nfs/dbraw/zinc/17/46/96/1076174696.db2.gz MRTFGJIDKPKMRB-NEPJUHHUSA-N 0 0 398.387 -1.466 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C2)n1 ZINC001591890787 1076174738 /nfs/dbraw/zinc/17/47/38/1076174738.db2.gz NYVCNIFFPQNMGW-MNOVXSKESA-N 0 0 396.433 -1.934 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@@H](O)C2)n1 ZINC001591890789 1076174625 /nfs/dbraw/zinc/17/46/25/1076174625.db2.gz OCUYHCWODCPNGY-WOPDTQHZSA-N 0 0 387.404 -1.748 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@@H](O)C2)n1 ZINC001591890816 1076174634 /nfs/dbraw/zinc/17/46/34/1076174634.db2.gz QKQXNNTWOJABMT-KOLCDFICSA-N 0 0 386.376 -1.616 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)Cn3ccccc3=O)[C@@H](O)C2)n1 ZINC001591891035 1076174750 /nfs/dbraw/zinc/17/47/50/1076174750.db2.gz SMBMDXFQQCZHLL-OLZOCXBDSA-N 0 0 397.399 -1.507 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)[C@@H](O)C2)n1 ZINC001591891092 1076174587 /nfs/dbraw/zinc/17/45/87/1076174587.db2.gz YYNRMAWCZZCVFX-JLLWLGSASA-N 0 0 387.404 -1.843 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@H]3CCCNC3=O)[C@@H](O)C2)n1 ZINC001591891093 1076174551 /nfs/dbraw/zinc/17/45/51/1076174551.db2.gz YYNRMAWCZZCVFX-WCQGTBRESA-N 0 0 387.404 -1.843 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)[C@@H](O)C2)n1 ZINC001591891094 1076174651 /nfs/dbraw/zinc/17/46/51/1076174651.db2.gz ZASHZTAVQLHUPS-OLZOCXBDSA-N 0 0 397.399 -1.357 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)CCc3ccnn3C)[C@@H](O)C2)n1 ZINC001591891101 1076174678 /nfs/dbraw/zinc/17/46/78/1076174678.db2.gz ZYBWWHGBYOIELA-KGLIPLIRSA-N 0 0 398.431 -1.003 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001591891530 1076174606 /nfs/dbraw/zinc/17/46/06/1076174606.db2.gz IYYAKTGZXHJSOY-DCQANWLSSA-N 0 0 383.416 -1.006 20 0 GAADRN Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001591891531 1076174714 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385.392 -1.687 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)n1 ZINC001592078954 1076178893 /nfs/dbraw/zinc/17/88/93/1076178893.db2.gz SFZSBXBIXKYWTR-RYUDHWBXSA-N 0 0 385.392 -1.687 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)n1 ZINC001592078955 1076178969 /nfs/dbraw/zinc/17/89/69/1076178969.db2.gz SFZSBXBIXKYWTR-VXGBXAGGSA-N 0 0 385.392 -1.687 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 ZINC001592079069 1076178929 /nfs/dbraw/zinc/17/89/29/1076178929.db2.gz CLSOTTZWTNAISR-CHWSQXEVSA-N 0 0 379.446 -1.150 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 ZINC001592079070 1076179090 /nfs/dbraw/zinc/17/90/90/1076179090.db2.gz CLSOTTZWTNAISR-OLZOCXBDSA-N 0 0 379.446 -1.150 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 ZINC001592079071 1076178906 /nfs/dbraw/zinc/17/89/06/1076178906.db2.gz CLSOTTZWTNAISR-QWHCGFSZSA-N 0 0 379.446 -1.150 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 ZINC001592079072 1076179049 /nfs/dbraw/zinc/17/90/49/1076179049.db2.gz CLSOTTZWTNAISR-STQMWFEESA-N 0 0 379.446 -1.150 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001592079152 1076178989 /nfs/dbraw/zinc/17/89/89/1076178989.db2.gz LCQKDWGSOCXJTK-KGLIPLIRSA-N 0 0 399.459 -1.070 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C2)n1 ZINC001592081000 1076179072 /nfs/dbraw/zinc/17/90/72/1076179072.db2.gz DLOPAYWQWDGVRA-MVWJERBFSA-N 0 0 395.445 -1.331 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C2)n1 ZINC001592081001 1076179025 /nfs/dbraw/zinc/17/90/25/1076179025.db2.gz DLOPAYWQWDGVRA-YUSALJHKSA-N 0 0 395.445 -1.331 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC001592081032 1076178940 /nfs/dbraw/zinc/17/89/40/1076178940.db2.gz FSTZWBOGJDVFQH-JHJVBQTASA-N 0 0 386.416 -1.286 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC001592081033 1076179081 /nfs/dbraw/zinc/17/90/81/1076179081.db2.gz FSTZWBOGJDVFQH-YNEHKIRRSA-N 0 0 386.416 -1.286 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](C)[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001592081078 1076179002 /nfs/dbraw/zinc/17/90/02/1076179002.db2.gz JDNAKGSYXHHVRL-BXUZGUMPSA-N 0 0 399.459 -1.057 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001592081099 1076178955 /nfs/dbraw/zinc/17/89/55/1076178955.db2.gz KLDDAYWGWBOTDF-CYZMBNFOSA-N 0 0 386.416 -1.238 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001592081100 1076178914 /nfs/dbraw/zinc/17/89/14/1076178914.db2.gz KLDDAYWGWBOTDF-RAIGVLPGSA-N 0 0 386.416 -1.238 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)CCc3cnn(C)n3)C2)n1 ZINC001592081171 1076179290 /nfs/dbraw/zinc/17/92/90/1076179290.db2.gz PZWRKZFJPSRIAI-ZIAGYGMSSA-N 0 0 398.431 -1.003 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)CCc3cn(C)nn3)C2)n1 ZINC001592081203 1076179395 /nfs/dbraw/zinc/17/93/95/1076179395.db2.gz SIRBPSHCZOCMDJ-ZIAGYGMSSA-N 0 0 398.431 -1.003 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)[C@@H](O)C2)n1 ZINC001592081328 1076179321 /nfs/dbraw/zinc/17/93/21/1076179321.db2.gz CZASMQZQBCQMGU-OLZOCXBDSA-N 0 0 397.399 -1.357 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@@H](O)C2)n1 ZINC001592081331 1076179299 /nfs/dbraw/zinc/17/92/99/1076179299.db2.gz DLOPAYWQWDGVRA-JLLWLGSASA-N 0 0 395.445 -1.331 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@@H](O)C2)n1 ZINC001592081332 1076179329 /nfs/dbraw/zinc/17/93/29/1076179329.db2.gz DLOPAYWQWDGVRA-WCQGTBRESA-N 0 0 395.445 -1.331 20 0 GAADRN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)CCc3cnn(C)n3)[C@@H](O)C2)n1 ZINC001592081465 1076179450 /nfs/dbraw/zinc/17/94/50/1076179450.db2.gz PZWRKZFJPSRIAI-KGLIPLIRSA-N 0 0 398.431 -1.003 20 0 GAADRN 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GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)c1 ZINC001592578249 1076190381 /nfs/dbraw/zinc/19/03/81/1076190381.db2.gz LJRQDFPPBYSRSR-OCCSQVGLSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)c1 ZINC001592578297 1076190207 /nfs/dbraw/zinc/19/02/07/1076190207.db2.gz PFSKEVWCGKOVTD-IUODEOHRSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1 ZINC001592578299 1076190223 /nfs/dbraw/zinc/19/02/23/1076190223.db2.gz PPVVYJBIMZFKSB-YPMHNXCESA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(=O)n(CCCNS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)c1=O ZINC001592578326 1076190337 /nfs/dbraw/zinc/19/03/37/1076190337.db2.gz SELGGDIPBRBGMG-UHFFFAOYSA-N 0 0 392.401 -1.509 20 0 GAADRN Cn1ccc(=O)n(CCCNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1=O ZINC001592578336 1076190289 /nfs/dbraw/zinc/19/02/89/1076190289.db2.gz UCXPSMKJXFWOGO-AWEZNQCLSA-N 0 0 385.384 -1.033 20 0 GAADRN Cn1ccc(=O)n(CCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1=O ZINC001592578337 1076190314 /nfs/dbraw/zinc/19/03/14/1076190314.db2.gz UCXPSMKJXFWOGO-CQSZACIVSA-N 0 0 385.384 -1.033 20 0 GAADRN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)c1 ZINC001592578368 1076190269 /nfs/dbraw/zinc/19/02/69/1076190269.db2.gz XMDTYVUEJDXWSD-TZMCWYRMSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001592578828 1076190236 /nfs/dbraw/zinc/19/02/36/1076190236.db2.gz FVAAKRCTMOWIDK-ZIAGYGMSSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)n1 ZINC001592578858 1076190357 /nfs/dbraw/zinc/19/03/57/1076190357.db2.gz GLUPNLBLFXCYIL-KGLIPLIRSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1=O ZINC001592579008 1076190182 /nfs/dbraw/zinc/19/01/82/1076190182.db2.gz BTXNUWHRSKRVSD-NEPJUHHUSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)cc1=O ZINC001592579032 1076190327 /nfs/dbraw/zinc/19/03/27/1076190327.db2.gz CFTQFYAIOQOITR-CHWSQXEVSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(CCC(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)n1 ZINC001592579096 1076190348 /nfs/dbraw/zinc/19/03/48/1076190348.db2.gz JJABEPOGVWMYTI-KGLIPLIRSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001592579257 1076190710 /nfs/dbraw/zinc/19/07/10/1076190710.db2.gz LWFVGYFOFQBQTM-KGLIPLIRSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)cc1=O ZINC001592579273 1076190757 /nfs/dbraw/zinc/19/07/57/1076190757.db2.gz OCWJUQGCCPWMGP-NEPJUHHUSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)n1 ZINC001592579291 1076190793 /nfs/dbraw/zinc/19/07/93/1076190793.db2.gz NBQINLWNRLESKP-ZIAGYGMSSA-N 0 0 399.415 -1.137 20 0 GAADRN Cn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001592579427 1076190642 /nfs/dbraw/zinc/19/06/42/1076190642.db2.gz WNHCTKIEQZJKNT-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)n1 ZINC001592579450 1076190749 /nfs/dbraw/zinc/19/07/49/1076190749.db2.gz YXAASNFQOWEQKT-CHWSQXEVSA-N 0 0 385.388 -1.528 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)cc1=O ZINC001592579593 1076190625 /nfs/dbraw/zinc/19/06/25/1076190625.db2.gz PYCGOAMNGDXPED-OLZOCXBDSA-N 0 0 382.384 -1.060 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)cc1=O ZINC001592579656 1076190776 /nfs/dbraw/zinc/19/07/76/1076190776.db2.gz VFHDEGJYLOIVJE-VXGBXAGGSA-N 0 0 383.372 -1.665 20 0 GAADRN Cn1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)cc1=O ZINC001592579719 1076190693 /nfs/dbraw/zinc/19/06/93/1076190693.db2.gz XUFMKDFZWCNFNS-OLZOCXBDSA-N 0 0 398.383 -1.491 20 0 GAADRN Cn1ccc(CCNC(=O)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)n1 ZINC001592579776 1076190683 /nfs/dbraw/zinc/19/06/83/1076190683.db2.gz REUIQDKDOMIOAT-UHFFFAOYSA-N 0 0 384.404 -1.118 20 0 GAADRN Cn1ccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nc1=O ZINC001592580652 1076190802 /nfs/dbraw/zinc/19/08/02/1076190802.db2.gz VMNBCIQVNSALLT-UHFFFAOYSA-N 0 0 390.385 -1.288 20 0 GAADRN Cn1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC001592580763 1076190700 /nfs/dbraw/zinc/19/07/00/1076190700.db2.gz FFEYPXDTDLJGND-UHFFFAOYSA-N 0 0 396.415 -1.040 20 0 GAADRN Cn1ccc(CNC(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n1 ZINC001592580884 1076190785 /nfs/dbraw/zinc/19/07/85/1076190785.db2.gz PWVNAQZZOMKPBV-UHFFFAOYSA-N 0 0 396.415 -1.040 20 0 GAADRN Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1=O ZINC001592581014 1076190666 /nfs/dbraw/zinc/19/06/66/1076190666.db2.gz WJEWYKVKOIROCQ-ZIAGYGMSSA-N 0 0 384.400 -1.131 20 0 GAADRN Cn1ccc(CNC(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC001592581050 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ZINC001592711211 1076197191 /nfs/dbraw/zinc/19/71/91/1076197191.db2.gz MFZDBQFEXKZVTI-UHFFFAOYSA-N 0 0 378.368 -1.324 20 0 GAADRN NC(=O)C(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001592711270 1076197140 /nfs/dbraw/zinc/19/71/40/1076197140.db2.gz OKHJMSYTNFZQSU-LLVKDONJSA-N 0 0 387.404 -1.961 20 0 GAADRN NC(=O)C(=O)N1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001592711271 1076197180 /nfs/dbraw/zinc/19/71/80/1076197180.db2.gz OKHJMSYTNFZQSU-NSHDSACASA-N 0 0 387.404 -1.961 20 0 GAADRN NC(=O)C(=O)N1CC(n2cc(CNCc3ccc(-c4nn[nH]n4)cc3)nn2)C1 ZINC001592711455 1076197070 /nfs/dbraw/zinc/19/70/70/1076197070.db2.gz RHWNDYVTVCMJJG-UHFFFAOYSA-N 0 0 382.388 -1.383 20 0 GAADRN NC(=O)C(=O)N1CCC2(CO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)CC1 ZINC001592711462 1076197097 /nfs/dbraw/zinc/19/70/97/1076197097.db2.gz RMUZPFBMTATLLK-JTQLQIEISA-N 0 0 387.404 -1.048 20 0 GAADRN NC(=O)C(=O)N1CCC2(CO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)CC1 ZINC001592711463 1076197079 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NC(=O)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001592713000 1076197664 /nfs/dbraw/zinc/19/76/64/1076197664.db2.gz MZPVQGHVFPGCLY-SNVBAGLBSA-N 0 0 375.364 -1.049 20 0 GAADRN NC(=O)C(=O)NC[C@@H]1CC2(CO1)CCN(c1cnc(-c3nn[nH]n3)cn1)CC2 ZINC001592713176 1076197571 /nfs/dbraw/zinc/19/75/71/1076197571.db2.gz OBZNZSCPVFLERO-JTQLQIEISA-N 0 0 387.404 -1.366 20 0 GAADRN NC(=O)C(=O)NC[C@H]1CC2(CO1)CCN(c1cnc(-c3nn[nH]n3)cn1)CC2 ZINC001592713177 1076197456 /nfs/dbraw/zinc/19/74/56/1076197456.db2.gz OBZNZSCPVFLERO-SNVBAGLBSA-N 0 0 387.404 -1.366 20 0 GAADRN NC(=O)C(=O)NCCN1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001592713300 1076197619 /nfs/dbraw/zinc/19/76/19/1076197619.db2.gz QZPSSPDFPWFVGR-UHFFFAOYSA-N 0 0 376.396 -1.275 20 0 GAADRN NC(=O)C(=O)NC[C@@H]1CC2(CO1)CCN(c1nccnc1-c1nn[nH]n1)CC2 ZINC001592713348 1076197502 /nfs/dbraw/zinc/19/75/02/1076197502.db2.gz SSIMWDTUTNBTJM-JTQLQIEISA-N 0 0 387.404 -1.366 20 0 GAADRN NC(=O)C(=O)NC[C@H]1CC2(CO1)CCN(c1nccnc1-c1nn[nH]n1)CC2 ZINC001592713349 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/nfs/dbraw/zinc/84/39/55/990843955.db2.gz OIHIMFDMUYZLNR-KSSFIOAISA-N 0 0 382.461 -1.216 20 0 GAADRN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001598207966 990844178 /nfs/dbraw/zinc/84/41/78/990844178.db2.gz OIHIMFDMUYZLNR-RDTXWAMCSA-N 0 0 382.461 -1.216 20 0 GAADRN C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C[C@H]1CS(N)(=O)=O ZINC001598214486 1076261953 /nfs/dbraw/zinc/26/19/53/1076261953.db2.gz ANHNSFWFMJXLNJ-MNOVXSKESA-N 0 0 388.471 -1.133 20 0 GAADRN C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H]1CS(N)(=O)=O ZINC001598215174 1076261839 /nfs/dbraw/zinc/26/18/39/1076261839.db2.gz LPVCICTWFNRBHT-KOLCDFICSA-N 0 0 395.441 -1.371 20 0 GAADRN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001598221251 1076261912 /nfs/dbraw/zinc/26/19/12/1076261912.db2.gz DECHWEYQBPDGKP-NEPJUHHUSA-N 0 0 385.508 -1.286 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1=O ZINC001598230408 990932024 /nfs/dbraw/zinc/93/20/24/990932024.db2.gz AHNZKTOERLHNFC-NEPJUHHUSA-N 0 0 375.447 -1.503 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1=O ZINC001598230409 990931400 /nfs/dbraw/zinc/93/14/00/990931400.db2.gz AHNZKTOERLHNFC-NWDGAFQWSA-N 0 0 375.447 -1.503 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1=O ZINC001598230410 990931359 /nfs/dbraw/zinc/93/13/59/990931359.db2.gz AHNZKTOERLHNFC-RYUDHWBXSA-N 0 0 375.447 -1.503 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1=O ZINC001598230411 990932142 /nfs/dbraw/zinc/93/21/42/990932142.db2.gz AHNZKTOERLHNFC-VXGBXAGGSA-N 0 0 375.447 -1.503 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1=O ZINC001598230640 990934481 /nfs/dbraw/zinc/93/44/81/990934481.db2.gz FHQRPAHVTAQNSG-JRPNMDOOSA-N 0 0 375.447 -1.599 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)CC1=O ZINC001598230641 990934597 /nfs/dbraw/zinc/93/45/97/990934597.db2.gz FHQRPAHVTAQNSG-ZIBATOQPSA-N 0 0 375.447 -1.599 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC001598230674 990934111 /nfs/dbraw/zinc/93/41/11/990934111.db2.gz GIRPQDPUFPUIEZ-GFCCVEGCSA-N 0 0 389.474 -1.065 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC001598230675 990934404 /nfs/dbraw/zinc/93/44/04/990934404.db2.gz GIRPQDPUFPUIEZ-LBPRGKRZSA-N 0 0 389.474 -1.065 20 0 GAADRN C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1=O ZINC001598231130 990938449 /nfs/dbraw/zinc/93/84/49/990938449.db2.gz MZNMDWBHSXMZPU-AWEZNQCLSA-N 0 0 384.433 -2.097 20 0 GAADRN C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1=O ZINC001598231131 990938171 /nfs/dbraw/zinc/93/81/71/990938171.db2.gz MZNMDWBHSXMZPU-CQSZACIVSA-N 0 0 384.433 -2.097 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1=O ZINC001598231647 990940763 /nfs/dbraw/zinc/94/07/63/990940763.db2.gz VMMJURXLWMEGTA-SRVKXCTJSA-N 0 0 395.416 -1.998 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1=O ZINC001598231655 990940344 /nfs/dbraw/zinc/94/03/44/990940344.db2.gz VMMJURXLWMEGTA-WOPDTQHZSA-N 0 0 395.416 -1.998 20 0 GAADRN C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598233774 990950391 /nfs/dbraw/zinc/95/03/91/990950391.db2.gz MLNZHKIMLLKMKO-GFCCVEGCSA-N 0 0 382.421 -1.166 20 0 GAADRN C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598233777 990950474 /nfs/dbraw/zinc/95/04/74/990950474.db2.gz MLNZHKIMLLKMKO-LBPRGKRZSA-N 0 0 382.421 -1.166 20 0 GAADRN C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001598242714 990986528 /nfs/dbraw/zinc/98/65/28/990986528.db2.gz JEHZZSCLYKUQQO-UHFFFAOYSA-N 0 0 376.377 -1.244 20 0 GAADRN C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cn1 ZINC001598243314 990990557 /nfs/dbraw/zinc/99/05/57/990990557.db2.gz SZFWUXMACFPCGZ-GFCCVEGCSA-N 0 0 380.405 -1.425 20 0 GAADRN C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cn1 ZINC001598243319 990989906 /nfs/dbraw/zinc/98/99/06/990989906.db2.gz SZFWUXMACFPCGZ-LBPRGKRZSA-N 0 0 380.405 -1.425 20 0 GAADRN C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC001598244600 990997581 /nfs/dbraw/zinc/99/75/81/990997581.db2.gz TXIDBJFQYIJJAR-UHFFFAOYSA-N 0 0 376.377 -1.244 20 0 GAADRN CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598264890 991106269 /nfs/dbraw/zinc/10/62/69/991106269.db2.gz COCMWEBLVSXEFE-UHFFFAOYSA-N 0 0 377.467 -1.333 20 0 GAADRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(NC2COC2)C1 ZINC001598274808 1076262166 /nfs/dbraw/zinc/26/21/66/1076262166.db2.gz NSCWBEVTXMOKBR-JTQLQIEISA-N 0 0 382.442 -1.349 20 0 GAADRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(NC2COC2)C1 ZINC001598274809 1076262268 /nfs/dbraw/zinc/26/22/68/1076262268.db2.gz NSCWBEVTXMOKBR-SNVBAGLBSA-N 0 0 382.442 -1.349 20 0 GAADRN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001598339135 1076262210 /nfs/dbraw/zinc/26/22/10/1076262210.db2.gz NEIXTCTZHQIGNY-UONOGXRCSA-N 0 0 379.438 -1.011 20 0 GAADRN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1nnc2n1CCNC2=O ZINC001598401126 1076262229 /nfs/dbraw/zinc/26/22/29/1076262229.db2.gz HQVAKSIUAVHQID-UHFFFAOYSA-N 0 0 375.389 -1.108 20 0 GAADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CNC(=O)C2)c1 ZINC001598421559 1076262189 /nfs/dbraw/zinc/26/21/89/1076262189.db2.gz UILOUNPHJBBEGM-SECBINFHSA-N 0 0 375.428 -1.627 20 0 GAADRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC(=O)C2)c1 ZINC001598421563 1076262262 /nfs/dbraw/zinc/26/22/62/1076262262.db2.gz UILOUNPHJBBEGM-VIFPVBQESA-N 0 0 375.428 -1.627 20 0 GAADRN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC2(C1)CCNC(=O)O2 ZINC001598425040 1076262295 /nfs/dbraw/zinc/26/22/95/1076262295.db2.gz GMZNXRIUHZJWAU-JTQLQIEISA-N 0 0 384.414 -1.137 20 0 GAADRN O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC2(C1)CCNC(=O)O2 ZINC001598425042 1076262144 /nfs/dbraw/zinc/26/21/44/1076262144.db2.gz GMZNXRIUHZJWAU-SNVBAGLBSA-N 0 0 384.414 -1.137 20 0 GAADRN CN(C[C@@H](O)C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598436822 991834201 /nfs/dbraw/zinc/83/42/01/991834201.db2.gz QNKSVYMHLQYRTI-AEJSXWLSSA-N 0 0 382.339 -1.079 20 0 GAADRN CN(C[C@H](O)C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598436824 991834174 /nfs/dbraw/zinc/83/41/74/991834174.db2.gz QNKSVYMHLQYRTI-GUBZILKMSA-N 0 0 382.339 -1.079 20 0 GAADRN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460560 991951793 /nfs/dbraw/zinc/95/17/93/991951793.db2.gz VLVPYHIXVLBOIR-KBXCAEBGSA-N 0 0 382.461 -1.073 20 0 GAADRN CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460561 991950972 /nfs/dbraw/zinc/95/09/72/991950972.db2.gz VLVPYHIXVLBOIR-KDOFPFPSSA-N 0 0 382.461 -1.073 20 0 GAADRN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460562 991951511 /nfs/dbraw/zinc/95/15/11/991951511.db2.gz VLVPYHIXVLBOIR-KSSFIOAISA-N 0 0 382.461 -1.073 20 0 GAADRN CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460563 991950786 /nfs/dbraw/zinc/95/07/86/991950786.db2.gz VLVPYHIXVLBOIR-RDTXWAMCSA-N 0 0 382.461 -1.073 20 0 GAADRN CN(CCC(=O)[O-])S(=O)(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001598479715 992129154 /nfs/dbraw/zinc/12/91/54/992129154.db2.gz BGLYVUOOJPRCBP-NEPJUHHUSA-N 0 0 376.435 -1.105 20 0 GAADRN C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CC(=O)[O-] ZINC001598489554 992266069 /nfs/dbraw/zinc/26/60/69/992266069.db2.gz RQEXCXLIEPQMLB-LLVKDONJSA-N 0 0 398.441 -1.181 20 0 GAADRN C[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CC(=O)[O-] ZINC001598489555 992265187 /nfs/dbraw/zinc/26/51/87/992265187.db2.gz RQEXCXLIEPQMLB-NSHDSACASA-N 0 0 398.441 -1.181 20 0 GAADRN C[N@H+](CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CC(=O)[O-] ZINC001598492307 992314232 /nfs/dbraw/zinc/31/42/32/992314232.db2.gz CBRFNKAUKPURSJ-UHFFFAOYSA-N 0 0 380.386 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Cn1c2ncn(CC(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)c2c(=O)n(C)c1=O ZINC001608076587 1076406206 /nfs/dbraw/zinc/40/62/06/1076406206.db2.gz ZPIAXXQXSCJQOX-UHFFFAOYSA-N 0 0 392.416 -1.559 20 0 GAADRN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([C@@H](O)C(=O)[O-])CC3)C[C@H]2[NH3+])cn1 ZINC001608122567 1076406517 /nfs/dbraw/zinc/40/65/17/1076406517.db2.gz LOKDWNPQPGCXQK-BFHYXJOUSA-N 0 0 379.417 -1.643 20 0 GAADRN Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([C@H](O)C(=O)[O-])CC3)C[C@H]2[NH3+])cn1 ZINC001608122568 1076406581 /nfs/dbraw/zinc/40/65/81/1076406581.db2.gz LOKDWNPQPGCXQK-MJBXVCDLSA-N 0 0 379.417 -1.643 20 0 GAADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC(N)=O)n1CC(=O)N1CCOCC1 ZINC001608195369 1076406532 /nfs/dbraw/zinc/40/65/32/1076406532.db2.gz QCLRNGAODOFEQS-GFCCVEGCSA-N 0 0 395.464 -1.025 20 0 GAADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(=O)N1CCOCC1 ZINC001608195372 1076406820 /nfs/dbraw/zinc/40/68/20/1076406820.db2.gz QCLRNGAODOFEQS-LBPRGKRZSA-N 0 0 395.464 -1.025 20 0 GAADRN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[NH+](CC(=O)[O-])CC1 ZINC001608264465 1076406785 /nfs/dbraw/zinc/40/67/85/1076406785.db2.gz HZDQDWSIYZHHQV-UHFFFAOYSA-N 0 0 382.442 -1.075 20 0 GAADRN O=C([O-])[C@]12CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@H]1COCC2 ZINC001608278585 1076407173 /nfs/dbraw/zinc/40/71/73/1076407173.db2.gz JIBZCNAXKPRSQV-PMUMKWKESA-N 0 0 380.445 -1.558 20 0 GAADRN O=C([O-])[C@]12CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)C[C@H]1COCC2 ZINC001608278586 1076407145 /nfs/dbraw/zinc/40/71/45/1076407145.db2.gz JIBZCNAXKPRSQV-SUNYJGFJSA-N 0 0 380.445 -1.558 20 0 GAADRN Cn1c2ncn(CCC(=O)NCCN3CCNC3=S)c2c(=O)n(C)c1=O ZINC001608343189 1076407559 /nfs/dbraw/zinc/40/75/59/1076407559.db2.gz MYIQKMQAUGHJGT-UHFFFAOYSA-N 0 0 379.446 -1.870 20 0 GAADRN O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001608409605 1076407545 /nfs/dbraw/zinc/40/75/45/1076407545.db2.gz DZOMVYRJXUDUHI-KBPBESRZSA-N 0 0 384.433 -2.179 20 0 GAADRN O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001608409608 1076407550 /nfs/dbraw/zinc/40/75/50/1076407550.db2.gz DZOMVYRJXUDUHI-KGLIPLIRSA-N 0 0 384.433 -2.179 20 0 GAADRN O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001608409609 1076407523 /nfs/dbraw/zinc/40/75/23/1076407523.db2.gz DZOMVYRJXUDUHI-UONOGXRCSA-N 0 0 384.433 -2.179 20 0 GAADRN O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001608409611 1076407514 /nfs/dbraw/zinc/40/75/14/1076407514.db2.gz DZOMVYRJXUDUHI-ZIAGYGMSSA-N 0 0 384.433 -2.179 20 0 GAADRN O=C([O-])C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001608409717 1076407519 /nfs/dbraw/zinc/40/75/19/1076407519.db2.gz FUVQWOQCTCSPPD-HNNXBMFYSA-N 0 0 382.461 -1.168 20 0 GAADRN O=C([O-])C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001608409719 1076407535 /nfs/dbraw/zinc/40/75/35/1076407535.db2.gz FUVQWOQCTCSPPD-OAHLLOKOSA-N 0 0 382.461 -1.168 20 0 GAADRN O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001608411411 1076408067 /nfs/dbraw/zinc/40/80/67/1076408067.db2.gz XWTLGHKXOQWGEB-GUTXKFCHSA-N 0 0 383.445 -1.103 20 0 GAADRN O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001608411415 1076408070 /nfs/dbraw/zinc/40/80/70/1076408070.db2.gz XWTLGHKXOQWGEB-GZBFAFLISA-N 0 0 383.445 -1.103 20 0 GAADRN O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001608411416 1076408018 /nfs/dbraw/zinc/40/80/18/1076408018.db2.gz XWTLGHKXOQWGEB-KCQAQPDRSA-N 0 0 383.445 -1.103 20 0 GAADRN O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001608411417 1076408011 /nfs/dbraw/zinc/40/80/11/1076408011.db2.gz XWTLGHKXOQWGEB-YDHLFZDLSA-N 0 0 383.445 -1.103 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1Cc1nnn(C)n1 ZINC001608447300 1076408173 /nfs/dbraw/zinc/40/81/73/1076408173.db2.gz WHMUQWJHWFFJBI-INIZCTEOSA-N 0 0 388.436 -1.153 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1Cc1nnn(C)n1 ZINC001608447301 1076408221 /nfs/dbraw/zinc/40/82/21/1076408221.db2.gz WHMUQWJHWFFJBI-MRXNPFEDSA-N 0 0 388.436 -1.153 20 0 GAADRN O=C([O-])c1ccc(OCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC001608448870 1076408212 /nfs/dbraw/zinc/40/82/12/1076408212.db2.gz ZOZIJRDLMDUHGU-UHFFFAOYSA-N 0 0 378.385 -1.572 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1nnn(C)n1 ZINC001608579718 1076408609 /nfs/dbraw/zinc/40/86/09/1076408609.db2.gz PBVFAPWSVYGYJH-UHFFFAOYSA-N 0 0 388.436 -1.201 20 0 GAADRN O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001608586360 1076408646 /nfs/dbraw/zinc/40/86/46/1076408646.db2.gz JFNZHPOCTKGTTO-KBPBESRZSA-N 0 0 378.429 -1.054 20 0 GAADRN O=C([O-])C1=CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001608586362 1076408675 /nfs/dbraw/zinc/40/86/75/1076408675.db2.gz JFNZHPOCTKGTTO-KGLIPLIRSA-N 0 0 378.429 -1.054 20 0 GAADRN O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001608586364 1076408603 /nfs/dbraw/zinc/40/86/03/1076408603.db2.gz JFNZHPOCTKGTTO-UONOGXRCSA-N 0 0 378.429 -1.054 20 0 GAADRN O=C([O-])C1=CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001608586365 1076408857 /nfs/dbraw/zinc/40/88/57/1076408857.db2.gz JFNZHPOCTKGTTO-ZIAGYGMSSA-N 0 0 378.429 -1.054 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(C)(C)O ZINC001608604428 1076408887 /nfs/dbraw/zinc/40/88/87/1076408887.db2.gz DIXIPLRYEHYAGE-LLVKDONJSA-N 0 0 393.448 -1.666 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(C)(C)O ZINC001608604429 1076409294 /nfs/dbraw/zinc/40/92/94/1076409294.db2.gz DIXIPLRYEHYAGE-NSHDSACASA-N 0 0 393.448 -1.666 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1Cc1ncn(C)n1 ZINC001608604849 1076409313 /nfs/dbraw/zinc/40/93/13/1076409313.db2.gz HJEYAKNFAHZISQ-LLVKDONJSA-N 0 0 388.436 -1.193 20 0 GAADRN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1Cc1ncn(C)n1 ZINC001608604850 1076409247 /nfs/dbraw/zinc/40/92/47/1076409247.db2.gz HJEYAKNFAHZISQ-NSHDSACASA-N 0 0 388.436 -1.193 20 0 GAADRN O=C([O-])[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC001608641351 1076409264 /nfs/dbraw/zinc/40/92/64/1076409264.db2.gz OKVRYMYGTPBFJH-GFCCVEGCSA-N 0 0 383.405 -2.532 20 0 GAADRN O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC001608641352 1076409236 /nfs/dbraw/zinc/40/92/36/1076409236.db2.gz OKVRYMYGTPBFJH-LBPRGKRZSA-N 0 0 383.405 -2.532 20 0 GAADRN O=C([O-])CCNC(=O)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001608726934 1076409935 /nfs/dbraw/zinc/40/99/35/1076409935.db2.gz VUWCUPOJLBAZKK-CYBMUJFWSA-N 0 0 384.433 -1.859 20 0 GAADRN O=C([O-])CCNC(=O)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001608726935 1076409894 /nfs/dbraw/zinc/40/98/94/1076409894.db2.gz VUWCUPOJLBAZKK-ZDUSSCGKSA-N 0 0 384.433 -1.859 20 0 GAADRN O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001608727137 1076410273 /nfs/dbraw/zinc/41/02/73/1076410273.db2.gz GZOVHHBXWQYYJU-CYBMUJFWSA-N 0 0 383.449 -1.179 20 0 GAADRN O=C([O-])CCNC(=O)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001608727138 1076410243 /nfs/dbraw/zinc/41/02/43/1076410243.db2.gz GZOVHHBXWQYYJU-ZDUSSCGKSA-N 0 0 383.449 -1.179 20 0 GAADRN O=C([O-])CCNC(=O)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001608727207 1076410315 /nfs/dbraw/zinc/41/03/15/1076410315.db2.gz INENICABHSHRCP-UHFFFAOYSA-N 0 0 384.437 -1.680 20 0 GAADRN O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC001608754682 1076410295 /nfs/dbraw/zinc/41/02/95/1076410295.db2.gz XSBACRQPVSHECK-CYBMUJFWSA-N 0 0 378.385 -1.378 20 0 GAADRN O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC001608754683 1076410282 /nfs/dbraw/zinc/41/02/82/1076410282.db2.gz XSBACRQPVSHECK-ZDUSSCGKSA-N 0 0 378.385 -1.378 20 0 GAADRN O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001608813582 1076411030 /nfs/dbraw/zinc/41/10/30/1076411030.db2.gz ZEGWALHUMNMGBY-AUTRQRHGSA-N 0 0 376.373 -1.294 20 0 GAADRN O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001608813583 1076411024 /nfs/dbraw/zinc/41/10/24/1076411024.db2.gz ZEGWALHUMNMGBY-PTRXPTGYSA-N 0 0 376.373 -1.294 20 0 GAADRN O=C([O-])c1cn([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001608959391 1076411156 /nfs/dbraw/zinc/41/11/56/1076411156.db2.gz WHRICOAXCHFFIR-GRYCIOLGSA-N 0 0 378.389 -1.973 20 0 GAADRN O=C([O-])c1cn([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001608959392 1076411177 /nfs/dbraw/zinc/41/11/77/1076411177.db2.gz WHRICOAXCHFFIR-SDDRHHMPSA-N 0 0 378.389 -1.973 20 0 GAADRN CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609063090 1076411748 /nfs/dbraw/zinc/41/17/48/1076411748.db2.gz QXVRFZLQMZHCBL-UHFFFAOYSA-N 0 0 393.429 -1.164 20 0 GAADRN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001609063400 1076411641 /nfs/dbraw/zinc/41/16/41/1076411641.db2.gz JNUJEOCASFOPCY-AWEZNQCLSA-N 0 0 387.400 -1.154 20 0 GAADRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001609063401 1076411872 /nfs/dbraw/zinc/41/18/72/1076411872.db2.gz JNUJEOCASFOPCY-CQSZACIVSA-N 0 0 387.400 -1.154 20 0 GAADRN CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001609063420 1076412005 /nfs/dbraw/zinc/41/20/05/1076412005.db2.gz KJLKXNRVWCITKY-SECBINFHSA-N 0 0 389.372 -1.011 20 0 GAADRN CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001609063421 1076412031 /nfs/dbraw/zinc/41/20/31/1076412031.db2.gz KJLKXNRVWCITKY-VIFPVBQESA-N 0 0 389.372 -1.011 20 0 GAADRN CC(=O)NC[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC001609063688 1076411981 /nfs/dbraw/zinc/41/19/81/1076411981.db2.gz XWLBPAXGIDBRPE-CYBMUJFWSA-N 0 0 395.445 -1.128 20 0 GAADRN CC(=O)NC[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 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ZINC001610079422 1076428821 /nfs/dbraw/zinc/42/88/21/1076428821.db2.gz NOUXNLULKZUVPI-GFCCVEGCSA-N 0 0 375.433 -1.173 20 0 GAADRN CC(C)NC(=O)Cn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001610079430 1076428903 /nfs/dbraw/zinc/42/89/03/1076428903.db2.gz NOUXNLULKZUVPI-LBPRGKRZSA-N 0 0 375.433 -1.173 20 0 GAADRN CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001610093324 1076428873 /nfs/dbraw/zinc/42/88/73/1076428873.db2.gz HXJGRHXUIGGHQI-UHFFFAOYSA-N 0 0 395.460 -1.086 20 0 GAADRN C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001610099693 1076428907 /nfs/dbraw/zinc/42/89/07/1076428907.db2.gz PIYKEFWNEQQNCG-GFCCVEGCSA-N 0 0 376.373 -1.057 20 0 GAADRN C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001610099694 1076428831 /nfs/dbraw/zinc/42/88/31/1076428831.db2.gz PIYKEFWNEQQNCG-LBPRGKRZSA-N 0 0 376.373 -1.057 20 0 GAADRN C[NH+](C)CCN1C[C@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC001610099806 1076428837 /nfs/dbraw/zinc/42/88/37/1076428837.db2.gz FPIBVBBXKOREMW-LLVKDONJSA-N 0 0 375.447 -1.455 20 0 GAADRN C[NH+](C)CCN1C[C@@H](C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC001610099807 1076428853 /nfs/dbraw/zinc/42/88/53/1076428853.db2.gz FPIBVBBXKOREMW-NSHDSACASA-N 0 0 375.447 -1.455 20 0 GAADRN CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001610129073 1076429244 /nfs/dbraw/zinc/42/92/44/1076429244.db2.gz BAMUYHIYALXDTN-HNNXBMFYSA-N 0 0 382.461 -1.027 20 0 GAADRN CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001610129086 1076429168 /nfs/dbraw/zinc/42/91/68/1076429168.db2.gz BAMUYHIYALXDTN-OAHLLOKOSA-N 0 0 382.461 -1.027 20 0 GAADRN C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130235 1076429172 /nfs/dbraw/zinc/42/91/72/1076429172.db2.gz OGCNIBOLFNSDGI-DZGCQCFKSA-N 0 0 382.461 -1.027 20 0 GAADRN C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130236 1076429213 /nfs/dbraw/zinc/42/92/13/1076429213.db2.gz OGCNIBOLFNSDGI-HIFRSBDPSA-N 0 0 382.461 -1.027 20 0 GAADRN C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130238 1076429287 /nfs/dbraw/zinc/42/92/87/1076429287.db2.gz OGCNIBOLFNSDGI-UKRRQHHQSA-N 0 0 382.461 -1.027 20 0 GAADRN C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130240 1076429268 /nfs/dbraw/zinc/42/92/68/1076429268.db2.gz OGCNIBOLFNSDGI-ZFWWWQNUSA-N 0 0 382.461 -1.027 20 0 GAADRN C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC001610131660 1076429186 /nfs/dbraw/zinc/42/91/86/1076429186.db2.gz CKMFGCQUNAZDDL-GFCCVEGCSA-N 0 0 378.451 -1.694 20 0 GAADRN C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H](C(=O)[O-])C1 ZINC001610131696 1076429228 /nfs/dbraw/zinc/42/92/28/1076429228.db2.gz CKMFGCQUNAZDDL-LBPRGKRZSA-N 0 0 378.451 -1.694 20 0 GAADRN C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001610132854 1076429253 /nfs/dbraw/zinc/42/92/53/1076429253.db2.gz AFIYUTTVOKDHSY-UHFFFAOYSA-N 0 0 395.460 -1.085 20 0 GAADRN CN1CC(=O)N(CCCC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1=O ZINC001610135013 1076429707 /nfs/dbraw/zinc/42/97/07/1076429707.db2.gz NBFGWRGOCXWSJF-UHFFFAOYSA-N 0 0 383.449 -1.179 20 0 GAADRN C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)CCN2CCCS2(=O)=O)CC1 ZINC001610135967 1076429717 /nfs/dbraw/zinc/42/97/17/1076429717.db2.gz ZTXGLDXNJSYOGD-UHFFFAOYSA-N 0 0 376.479 -1.427 20 0 GAADRN C[NH+]1CCN(CCN(CC(=O)[O-])CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC001610136543 1076429722 /nfs/dbraw/zinc/42/97/22/1076429722.db2.gz KWIXUICSFZYOBD-UHFFFAOYSA-N 0 0 383.449 -1.321 20 0 GAADRN CN(C1CCOCC1)S(=O)(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001610136660 1076429686 /nfs/dbraw/zinc/42/96/86/1076429686.db2.gz NOHBYMPPZBHXBX-UHFFFAOYSA-N 0 0 378.495 -1.024 20 0 GAADRN CN(C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001610137195 1076429701 /nfs/dbraw/zinc/42/97/01/1076429701.db2.gz YNKYKKNVIOSEQO-CYBMUJFWSA-N 0 0 376.479 -1.141 20 0 GAADRN CN(C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001610137197 1076429727 /nfs/dbraw/zinc/42/97/27/1076429727.db2.gz YNKYKKNVIOSEQO-ZDUSSCGKSA-N 0 0 376.479 -1.141 20 0 GAADRN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001610172281 1076430532 /nfs/dbraw/zinc/43/05/32/1076430532.db2.gz ZRIQRQHCLHCROG-NEPJUHHUSA-N 0 0 385.417 -1.624 20 0 GAADRN COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001610172282 1076430514 /nfs/dbraw/zinc/43/05/14/1076430514.db2.gz ZRIQRQHCLHCROG-NWDGAFQWSA-N 0 0 385.417 -1.624 20 0 GAADRN COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001610172283 1076430537 /nfs/dbraw/zinc/43/05/37/1076430537.db2.gz ZRIQRQHCLHCROG-RYUDHWBXSA-N 0 0 385.417 -1.624 20 0 GAADRN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001610172284 1076430913 /nfs/dbraw/zinc/43/09/13/1076430913.db2.gz ZRIQRQHCLHCROG-VXGBXAGGSA-N 0 0 385.417 -1.624 20 0 GAADRN CC(C)(C)OC(=O)NOCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610179178 1076430866 /nfs/dbraw/zinc/43/08/66/1076430866.db2.gz LQHVKELKTGVRBF-NEPJUHHUSA-N 0 0 393.462 -1.255 20 0 GAADRN CC(C)(C)OC(=O)NOCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610179182 1076430901 /nfs/dbraw/zinc/43/09/01/1076430901.db2.gz LQHVKELKTGVRBF-NWDGAFQWSA-N 0 0 393.462 -1.255 20 0 GAADRN CC(C)(C)OC(=O)NOCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610179183 1076430933 /nfs/dbraw/zinc/43/09/33/1076430933.db2.gz LQHVKELKTGVRBF-RYUDHWBXSA-N 0 0 393.462 -1.255 20 0 GAADRN CC(C)(C)OC(=O)NOCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610179184 1076430886 /nfs/dbraw/zinc/43/08/86/1076430886.db2.gz LQHVKELKTGVRBF-VXGBXAGGSA-N 0 0 393.462 -1.255 20 0 GAADRN CC(C)(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)S(=O)(=O)C1CC1 ZINC001610180166 1076430940 /nfs/dbraw/zinc/43/09/40/1076430940.db2.gz NWUXEAADJVZHAV-CHWSQXEVSA-N 0 0 394.515 -1.356 20 0 GAADRN CC(C)(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)S(=O)(=O)C1CC1 ZINC001610180170 1076430929 /nfs/dbraw/zinc/43/09/29/1076430929.db2.gz NWUXEAADJVZHAV-OLZOCXBDSA-N 0 0 394.515 -1.356 20 0 GAADRN CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)S(=O)(=O)C1CC1 ZINC001610180172 1076430944 /nfs/dbraw/zinc/43/09/44/1076430944.db2.gz NWUXEAADJVZHAV-QWHCGFSZSA-N 0 0 394.515 -1.356 20 0 GAADRN CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)S(=O)(=O)C1CC1 ZINC001610180173 1076430906 /nfs/dbraw/zinc/43/09/06/1076430906.db2.gz NWUXEAADJVZHAV-STQMWFEESA-N 0 0 394.515 -1.356 20 0 GAADRN COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)CCO1 ZINC001610180323 1076430893 /nfs/dbraw/zinc/43/08/93/1076430893.db2.gz KHNFRJOOJCDABL-GFCCVEGCSA-N 0 0 385.417 -1.216 20 0 GAADRN COC(=O)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)CCO1 ZINC001610180324 1076430850 /nfs/dbraw/zinc/43/08/50/1076430850.db2.gz KHNFRJOOJCDABL-LBPRGKRZSA-N 0 0 385.417 -1.216 20 0 GAADRN COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610260507 1076431652 /nfs/dbraw/zinc/43/16/52/1076431652.db2.gz MVONMTPAOHTXDP-GFCCVEGCSA-N 0 0 382.421 -1.214 20 0 GAADRN COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610260508 1076431581 /nfs/dbraw/zinc/43/15/81/1076431581.db2.gz MVONMTPAOHTXDP-LBPRGKRZSA-N 0 0 382.421 -1.214 20 0 GAADRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001610373493 1076431564 /nfs/dbraw/zinc/43/15/64/1076431564.db2.gz XSICWUMTFOSXOM-JTQLQIEISA-N 0 0 380.405 -1.036 20 0 GAADRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001610373506 1076431993 /nfs/dbraw/zinc/43/19/93/1076431993.db2.gz XSICWUMTFOSXOM-SNVBAGLBSA-N 0 0 380.405 -1.036 20 0 GAADRN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001610646337 1076433087 /nfs/dbraw/zinc/43/30/87/1076433087.db2.gz DDTIYICIYISMNR-AWEZNQCLSA-N 0 0 382.442 -1.028 20 0 GAADRN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001610646340 1076433073 /nfs/dbraw/zinc/43/30/73/1076433073.db2.gz DDTIYICIYISMNR-CQSZACIVSA-N 0 0 382.442 -1.028 20 0 GAADRN O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)C[C@H]1COCC2 ZINC001610652375 1076433067 /nfs/dbraw/zinc/43/30/67/1076433067.db2.gz KQPHGWBKIMOYTP-PMUMKWKESA-N 0 0 380.445 -1.558 20 0 GAADRN O=C([O-])[C@]12CN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)C[C@H]1COCC2 ZINC001610652392 1076433065 /nfs/dbraw/zinc/43/30/65/1076433065.db2.gz KQPHGWBKIMOYTP-SUNYJGFJSA-N 0 0 380.445 -1.558 20 0 GAADRN O=C([O-])c1cn(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nn1 ZINC001610695487 1076433599 /nfs/dbraw/zinc/43/35/99/1076433599.db2.gz JGIABCHDCTXPQI-CYBMUJFWSA-N 0 0 381.437 -1.318 20 0 GAADRN O=C([O-])c1cn(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nn1 ZINC001610695488 1076433654 /nfs/dbraw/zinc/43/36/54/1076433654.db2.gz JGIABCHDCTXPQI-ZDUSSCGKSA-N 0 0 381.437 -1.318 20 0 GAADRN O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001610733816 1076434037 /nfs/dbraw/zinc/43/40/37/1076434037.db2.gz DROVIKDXNMEKER-ILXRZTDVSA-N 0 0 383.445 -1.149 20 0 GAADRN O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001610733817 1076433999 /nfs/dbraw/zinc/43/39/99/1076433999.db2.gz DROVIKDXNMEKER-KFWWJZLASA-N 0 0 383.445 -1.149 20 0 GAADRN O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001610733818 1076434060 /nfs/dbraw/zinc/43/40/60/1076434060.db2.gz DROVIKDXNMEKER-QLFBSQMISA-N 0 0 383.445 -1.149 20 0 GAADRN O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001610733819 1076433994 /nfs/dbraw/zinc/43/39/94/1076433994.db2.gz DROVIKDXNMEKER-RBSFLKMASA-N 0 0 383.445 -1.149 20 0 GAADRN O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001610760850 1076434279 /nfs/dbraw/zinc/43/42/79/1076434279.db2.gz CLLHGGLLQUQUIJ-CABCVRRESA-N 0 0 382.461 -1.025 20 0 GAADRN O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001610760853 1076434313 /nfs/dbraw/zinc/43/43/13/1076434313.db2.gz CLLHGGLLQUQUIJ-GJZGRUSLSA-N 0 0 382.461 -1.025 20 0 GAADRN O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001610760855 1076434353 /nfs/dbraw/zinc/43/43/53/1076434353.db2.gz CLLHGGLLQUQUIJ-HUUCEWRRSA-N 0 0 382.461 -1.025 20 0 GAADRN O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001610760856 1076434676 /nfs/dbraw/zinc/43/46/76/1076434676.db2.gz CLLHGGLLQUQUIJ-LSDHHAIUSA-N 0 0 382.461 -1.025 20 0 GAADRN O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC001610800285 1076435003 /nfs/dbraw/zinc/43/50/03/1076435003.db2.gz DKUYTANDYSHRQQ-GFCCVEGCSA-N 0 0 385.446 -1.200 20 0 GAADRN O=C([O-])Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC001610800286 1076434975 /nfs/dbraw/zinc/43/49/75/1076434975.db2.gz DKUYTANDYSHRQQ-LBPRGKRZSA-N 0 0 385.446 -1.200 20 0 GAADRN 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C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001618265569 1076440134 /nfs/dbraw/zinc/44/01/34/1076440134.db2.gz GETKROAGGXIOKM-JTQLQIEISA-N 0 0 398.445 -1.370 20 0 GAADRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001618265574 1076440059 /nfs/dbraw/zinc/44/00/59/1076440059.db2.gz GETKROAGGXIOKM-SNVBAGLBSA-N 0 0 398.445 -1.370 20 0 GAADRN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001618282670 1076440121 /nfs/dbraw/zinc/44/01/21/1076440121.db2.gz NGWRZMMAUBZALW-NEPJUHHUSA-N 0 0 385.442 -1.323 20 0 GAADRN O=C(NCCN1C(=O)CCCC1=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001618282673 1076440107 /nfs/dbraw/zinc/44/01/07/1076440107.db2.gz NGWRZMMAUBZALW-NWDGAFQWSA-N 0 0 385.442 -1.323 20 0 GAADRN O=C(NCCN1C(=O)CCCC1=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001618282674 1076440124 /nfs/dbraw/zinc/44/01/24/1076440124.db2.gz NGWRZMMAUBZALW-RYUDHWBXSA-N 0 0 385.442 -1.323 20 0 GAADRN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001618282676 1076440072 /nfs/dbraw/zinc/44/00/72/1076440072.db2.gz NGWRZMMAUBZALW-VXGBXAGGSA-N 0 0 385.442 -1.323 20 0 GAADRN CN(CCNS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1Cc1nnn(C)n1 ZINC001618312340 1076440055 /nfs/dbraw/zinc/44/00/55/1076440055.db2.gz ZTCRJWWCJQODOB-UHFFFAOYSA-N 0 0 380.438 -1.170 20 0 GAADRN CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1(O)CC1 ZINC001618315661 1076440030 /nfs/dbraw/zinc/44/00/30/1076440030.db2.gz PAVGLVWVRNOCKT-UHFFFAOYSA-N 0 0 386.478 -1.089 20 0 GAADRN Cn1cc(S(=O)(=O)N2CCC(NC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cn1 ZINC001618349210 1076440111 /nfs/dbraw/zinc/44/01/11/1076440111.db2.gz BQLQKUIEGROXSP-UHFFFAOYSA-N 0 0 396.429 -1.348 20 0 GAADRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001618357199 1076440043 /nfs/dbraw/zinc/44/00/43/1076440043.db2.gz NZJJJNWCRDFPPA-GHMZBOCLSA-N 0 0 379.456 -1.000 20 0 GAADRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001618357200 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1076444318 /nfs/dbraw/zinc/44/43/18/1076444318.db2.gz XVCMZBDCVIDPFE-MLGOLLRUSA-N 0 0 399.473 -1.342 20 0 GAADRN O=C1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1 ZINC001620393850 1076444345 /nfs/dbraw/zinc/44/43/45/1076444345.db2.gz XVCMZBDCVIDPFE-WBMJQRKESA-N 0 0 399.473 -1.342 20 0 GAADRN O=C1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cncn2)CCN1 ZINC001620393933 1076444408 /nfs/dbraw/zinc/44/44/08/1076444408.db2.gz ZEHJNJZXAIECAP-LLVKDONJSA-N 0 0 380.434 -1.592 20 0 GAADRN O=C1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cncn2)CCN1 ZINC001620393941 1076444363 /nfs/dbraw/zinc/44/43/63/1076444363.db2.gz ZEHJNJZXAIECAP-NSHDSACASA-N 0 0 380.434 -1.592 20 0 GAADRN COC(=O)[C@]1(OC)CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001620432972 1076444322 /nfs/dbraw/zinc/44/43/22/1076444322.db2.gz WLCIBHGVQLNLJU-HNNXBMFYSA-N 0 0 377.463 -1.210 20 0 GAADRN COC(=O)[C@@]1(OC)CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001620432973 1076444297 /nfs/dbraw/zinc/44/42/97/1076444297.db2.gz WLCIBHGVQLNLJU-OAHLLOKOSA-N 0 0 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C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCNC1=O ZINC001652068835 1076535445 /nfs/dbraw/zinc/53/54/45/1076535445.db2.gz YTJPSPPHGAOVJR-GXSJLCMTSA-N 0 0 376.460 -1.083 20 0 GAADRN C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCNC1=O ZINC001652068836 1076535801 /nfs/dbraw/zinc/53/58/01/1076535801.db2.gz YTJPSPPHGAOVJR-KOLCDFICSA-N 0 0 376.460 -1.083 20 0 GAADRN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCNC1=O ZINC001652068837 1076535749 /nfs/dbraw/zinc/53/57/49/1076535749.db2.gz YTJPSPPHGAOVJR-MWLCHTKSSA-N 0 0 376.460 -1.083 20 0 GAADRN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCNC1=O ZINC001652068838 1076535662 /nfs/dbraw/zinc/53/56/62/1076535662.db2.gz YTJPSPPHGAOVJR-ONGXEEELSA-N 0 0 376.460 -1.083 20 0 GAADRN Cc1cc(=O)[nH]c(N2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC001652070703 1076535724 /nfs/dbraw/zinc/53/57/24/1076535724.db2.gz GLQZJXYVXWUGRI-UHFFFAOYSA-N 0 0 395.445 -1.149 20 0 GAADRN CN1CCn2nc(C(=O)N3CCC(O)(COCCO)CC3)cc2S1(=O)=O ZINC001652164577 1076535677 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20 0 GAADRN CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001652295709 1076535743 /nfs/dbraw/zinc/53/57/43/1076535743.db2.gz QCDPYPHGTIDABQ-NSHDSACASA-N 0 0 381.476 -1.780 20 0 GAADRN NS(=O)(=O)c1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)c(F)c1 ZINC001652410595 1076535756 /nfs/dbraw/zinc/53/57/56/1076535756.db2.gz VKBYZRMAJPDJMB-UHFFFAOYSA-N 0 0 383.409 -1.196 20 0 GAADRN CC[C@H]1C(=O)NCCCN1C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC001652447963 1076535817 /nfs/dbraw/zinc/53/58/17/1076535817.db2.gz NQAFHUYMNIYSEQ-LBPRGKRZSA-N 0 0 376.479 -1.052 20 0 GAADRN O=C(CN1C(=O)CCC1=O)N1CCN(CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001652460144 1076535719 /nfs/dbraw/zinc/53/57/19/1076535719.db2.gz SBCFBBFILWFXMV-UHFFFAOYSA-N 0 0 387.458 -1.781 20 0 GAADRN O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001652500423 1076535736 /nfs/dbraw/zinc/53/57/36/1076535736.db2.gz AIVIMJFDCWJTMB-GXTWGEPZSA-N 0 0 379.442 -1.209 20 0 GAADRN O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001652500424 1076535709 /nfs/dbraw/zinc/53/57/09/1076535709.db2.gz AIVIMJFDCWJTMB-JSGCOSHPSA-N 0 0 379.442 -1.209 20 0 GAADRN O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001652500425 1076535939 /nfs/dbraw/zinc/53/59/39/1076535939.db2.gz AIVIMJFDCWJTMB-OCCSQVGLSA-N 0 0 379.442 -1.209 20 0 GAADRN O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001652500426 1076535949 /nfs/dbraw/zinc/53/59/49/1076535949.db2.gz AIVIMJFDCWJTMB-TZMCWYRMSA-N 0 0 379.442 -1.209 20 0 GAADRN O=C(N[C@@H](CO)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1cccc(F)n1 ZINC001652500485 1076535967 /nfs/dbraw/zinc/53/59/67/1076535967.db2.gz BUACTMDQDBKCPG-KOLCDFICSA-N 0 0 387.393 -2.328 20 0 GAADRN O=C(N[C@@H](CO)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1cccc(F)n1 ZINC001652500486 1076535916 /nfs/dbraw/zinc/53/59/16/1076535916.db2.gz BUACTMDQDBKCPG-ONGXEEELSA-N 0 0 387.393 -2.328 20 0 GAADRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001652500494 1076535961 /nfs/dbraw/zinc/53/59/61/1076535961.db2.gz CBEOPFWMKHHTQB-FDYHWXHSSA-N 0 0 398.445 -2.729 20 0 GAADRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001652500495 1076536012 /nfs/dbraw/zinc/53/60/12/1076536012.db2.gz CBEOPFWMKHHTQB-UMSGYPCISA-N 0 0 398.445 -2.729 20 0 GAADRN CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)nn1 ZINC001652500540 1076535972 /nfs/dbraw/zinc/53/59/72/1076535972.db2.gz DCPSULGRDOHISC-JTQLQIEISA-N 0 0 386.434 -1.406 20 0 GAADRN CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)nn1 ZINC001652500541 1076536002 /nfs/dbraw/zinc/53/60/02/1076536002.db2.gz DCPSULGRDOHISC-SNVBAGLBSA-N 0 0 386.434 -1.406 20 0 GAADRN CS(=O)(=O)c1ccc(NCC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC001652500612 1076535981 /nfs/dbraw/zinc/53/59/81/1076535981.db2.gz FXCRTFORINDSFM-GFCCVEGCSA-N 0 0 388.471 -1.137 20 0 GAADRN CS(=O)(=O)c1ccc(NCC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC001652500613 1076535955 /nfs/dbraw/zinc/53/59/55/1076535955.db2.gz FXCRTFORINDSFM-LBPRGKRZSA-N 0 0 388.471 -1.137 20 0 GAADRN NS(=O)(=O)c1ccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1Cl ZINC001652500695 1076535933 /nfs/dbraw/zinc/53/59/33/1076535933.db2.gz IODLBWIBGNMRLH-SECBINFHSA-N 0 0 394.862 -1.038 20 0 GAADRN NS(=O)(=O)c1ccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1Cl ZINC001652500696 1076535924 /nfs/dbraw/zinc/53/59/24/1076535924.db2.gz IODLBWIBGNMRLH-VIFPVBQESA-N 0 0 394.862 -1.038 20 0 GAADRN Cn1c2sc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)cc2c(=O)n(C)c1=O ZINC001652500915 1076536037 /nfs/dbraw/zinc/53/60/37/1076536037.db2.gz LNAKKNQGCQJQFK-MRVPVSSYSA-N 0 0 399.454 -1.727 20 0 GAADRN Cn1c2sc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)cc2c(=O)n(C)c1=O ZINC001652500916 1076535943 /nfs/dbraw/zinc/53/59/43/1076535943.db2.gz LNAKKNQGCQJQFK-QMMMGPOBSA-N 0 0 399.454 -1.727 20 0 GAADRN O=C(CCNS(=O)(=O)c1cccs1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001652500951 1076536019 /nfs/dbraw/zinc/53/60/19/1076536019.db2.gz MVSVAVWBDWIDSS-JTQLQIEISA-N 0 0 394.500 -1.223 20 0 GAADRN O=C(CCNS(=O)(=O)c1cccs1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001652500952 1076535978 /nfs/dbraw/zinc/53/59/78/1076535978.db2.gz MVSVAVWBDWIDSS-SNVBAGLBSA-N 0 0 394.500 -1.223 20 0 GAADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC001652500984 1076536007 /nfs/dbraw/zinc/53/60/07/1076536007.db2.gz NNVYVQWEXXUQHS-GFCCVEGCSA-N 0 0 388.471 -1.366 20 0 GAADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC001652500985 1076535997 /nfs/dbraw/zinc/53/59/97/1076535997.db2.gz NNVYVQWEXXUQHS-LBPRGKRZSA-N 0 0 388.471 -1.366 20 0 GAADRN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)c2C1 ZINC001652501197 1076536170 /nfs/dbraw/zinc/53/61/70/1076536170.db2.gz PHOQPEZWACSSCF-CHWSQXEVSA-N 0 0 396.473 -1.444 20 0 GAADRN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)c2C1 ZINC001652501202 1076536209 /nfs/dbraw/zinc/53/62/09/1076536209.db2.gz PHOQPEZWACSSCF-OLZOCXBDSA-N 0 0 396.473 -1.444 20 0 GAADRN CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)c2C1 ZINC001652501204 1076536183 /nfs/dbraw/zinc/53/61/83/1076536183.db2.gz PHOQPEZWACSSCF-QWHCGFSZSA-N 0 0 396.473 -1.444 20 0 GAADRN CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)c2C1 ZINC001652501207 1076536213 /nfs/dbraw/zinc/53/62/13/1076536213.db2.gz PHOQPEZWACSSCF-STQMWFEESA-N 0 0 396.473 -1.444 20 0 GAADRN CNS(=O)(=O)NCC(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001652501286 1076536239 /nfs/dbraw/zinc/53/62/39/1076536239.db2.gz QNFLHBMZBHJDEW-UHFFFAOYSA-N 0 0 382.508 -1.153 20 0 GAADRN NS(=O)(=O)c1ccc(CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)s1 ZINC001652501289 1076536195 /nfs/dbraw/zinc/53/61/95/1076536195.db2.gz QQCVDERGLLUMEW-MRVPVSSYSA-N 0 0 380.473 -1.701 20 0 GAADRN NS(=O)(=O)c1ccc(CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)s1 ZINC001652501290 1076536246 /nfs/dbraw/zinc/53/62/46/1076536246.db2.gz QQCVDERGLLUMEW-QMMMGPOBSA-N 0 0 380.473 -1.701 20 0 GAADRN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001652501303 1076536163 /nfs/dbraw/zinc/53/61/63/1076536163.db2.gz REMJPSLITFPHJV-CYBMUJFWSA-N 0 0 385.421 -1.014 20 0 GAADRN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001652501304 1076536177 /nfs/dbraw/zinc/53/61/77/1076536177.db2.gz REMJPSLITFPHJV-ZDUSSCGKSA-N 0 0 385.421 -1.014 20 0 GAADRN C[C@H](C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)S(=O)(=O)C1CCOCC1 ZINC001652501733 1076536187 /nfs/dbraw/zinc/53/61/87/1076536187.db2.gz UVNJXRBRIKYILZ-GHMZBOCLSA-N 0 0 381.476 -1.671 20 0 GAADRN C[C@H](C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)S(=O)(=O)C1CCOCC1 ZINC001652501734 1076536251 /nfs/dbraw/zinc/53/62/51/1076536251.db2.gz UVNJXRBRIKYILZ-MNOVXSKESA-N 0 0 381.476 -1.671 20 0 GAADRN C[C@@H](C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)S(=O)(=O)C1CCOCC1 ZINC001652501735 1076536228 /nfs/dbraw/zinc/53/62/28/1076536228.db2.gz UVNJXRBRIKYILZ-QWRGUYRKSA-N 0 0 381.476 -1.671 20 0 GAADRN C[C@@H](C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)S(=O)(=O)C1CCOCC1 ZINC001652501736 1076536257 /nfs/dbraw/zinc/53/62/57/1076536257.db2.gz UVNJXRBRIKYILZ-WDEREUQCSA-N 0 0 381.476 -1.671 20 0 GAADRN 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ZINC001671921923 1076570981 /nfs/dbraw/zinc/57/09/81/1076570981.db2.gz QTLQLRKTLUPFQG-WDEREUQCSA-N 0 0 389.521 -1.792 20 0 GAADRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001671990213 1076570923 /nfs/dbraw/zinc/57/09/23/1076570923.db2.gz DUIVCENNMFAIHK-CYBMUJFWSA-N 0 0 381.410 -1.023 20 0 GAADRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC001671990214 1076570836 /nfs/dbraw/zinc/57/08/36/1076570836.db2.gz DUIVCENNMFAIHK-ZDUSSCGKSA-N 0 0 381.410 -1.023 20 0 GAADRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@]23CC(=O)N[C@H]2CCCC3)CC1 ZINC001672085915 1076570940 /nfs/dbraw/zinc/57/09/40/1076570940.db2.gz SDANXRRXDBLDPH-WCQYABFASA-N 0 0 380.492 -1.401 20 0 GAADRN O=C(CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC[C@H]1CCCO1 ZINC001672099650 1076570826 /nfs/dbraw/zinc/57/08/26/1076570826.db2.gz CIQAIRWUBOVOOB-HLUFSKSISA-N 0 0 379.457 -1.132 20 0 GAADRN O=C(CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC[C@@H]1CCCO1 ZINC001672099651 1076570994 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