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/nfs/dbraw/zinc/14/55/72/1071145572.db2.gz PLEBYRYOPSTYAO-SKDRFNHKSA-N -2 1 405.406 -0.131 20 0 HBADML COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001148925953 1071145440 /nfs/dbraw/zinc/14/54/40/1071145440.db2.gz FJGHDWANTIWANW-LLVKDONJSA-N -2 1 419.433 -0.559 20 0 HBADML COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001148925954 1071145432 /nfs/dbraw/zinc/14/54/32/1071145432.db2.gz FJGHDWANTIWANW-NSHDSACASA-N -2 1 419.433 -0.559 20 0 HBADML NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148932937 1071145485 /nfs/dbraw/zinc/14/54/85/1071145485.db2.gz CTZWVBQKTPSFMD-AWEZNQCLSA-N -2 1 421.431 -0.419 20 0 HBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccncc2)[C@@H](O)[C@@H]1O ZINC001173881505 1071193062 /nfs/dbraw/zinc/19/30/62/1071193062.db2.gz WGKYOVWCNOJKQL-ADGXKJENSA-N -2 1 424.310 -0.885 20 0 HBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccncc2)[C@H](O)[C@@H]1O ZINC001173882479 1071192948 /nfs/dbraw/zinc/19/29/48/1071192948.db2.gz WGKYOVWCNOJKQL-SDBHATRESA-N -2 1 424.310 -0.885 20 0 HBADML CC(C)=CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC001174553479 1071195775 /nfs/dbraw/zinc/19/57/75/1071195775.db2.gz ILGMJAFEFHSEME-GCDPNZCJSA-N -2 1 401.316 -0.110 20 0 HBADML CC(C)=CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC001174554143 1071195725 /nfs/dbraw/zinc/19/57/25/1071195725.db2.gz ILGMJAFEFHSEME-IDTAVKCVSA-N -2 1 401.316 -0.110 20 0 HBADML CNC(=O)c1cc(Nc2ncnc3c2ncn3CCOCP(=O)([O-])[O-])ccn1 ZINC001175409805 1071207185 /nfs/dbraw/zinc/20/71/85/1071207185.db2.gz RBBPLCVHMOCGSM-UHFFFAOYSA-N -2 1 407.327 -0.102 20 0 HBADML O=C([O-])CN1CCCn2nc(C(=O)Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)cc2C1=O ZINC001178374997 1071286674 /nfs/dbraw/zinc/28/66/74/1071286674.db2.gz UOKBWYSXJOLEJI-UHFFFAOYSA-N -2 1 402.327 -0.905 20 0 HBADML Cc1cn([C@H]2C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001180176562 1071331373 /nfs/dbraw/zinc/33/13/73/1071331373.db2.gz GQTQGBOWRUHYMG-XLPZGREQSA-N -2 1 413.280 -0.623 20 0 HBADML NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180909 1071331489 /nfs/dbraw/zinc/33/14/89/1071331489.db2.gz XBTCYZBWIIOZRR-IUCAKERBSA-N -2 1 423.323 -0.732 20 0 HBADML CCOCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001187246387 1071585671 /nfs/dbraw/zinc/58/56/71/1071585671.db2.gz PEXHEXQLFBXKKF-UHFFFAOYSA-N -3 1 409.361 -0.244 20 0 HBADML CCOCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O ZINC001187246387 1071585668 /nfs/dbraw/zinc/58/56/68/1071585668.db2.gz PEXHEXQLFBXKKF-UHFFFAOYSA-N -2 1 409.361 -0.244 20 0 HBADML O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1 ZINC001187732028 1071597454 /nfs/dbraw/zinc/59/74/54/1071597454.db2.gz SWQFMOJRPCQVMD-UHFFFAOYSA-N -3 1 403.317 -0.498 20 0 HBADML O=[P@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1 ZINC001187732028 1071597449 /nfs/dbraw/zinc/59/74/49/1071597449.db2.gz SWQFMOJRPCQVMD-UHFFFAOYSA-N -2 1 403.317 -0.498 20 0 HBADML C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1)OCP(=O)([O-])[O-] ZINC001187732039 1071597659 /nfs/dbraw/zinc/59/76/59/1071597659.db2.gz UKROLLSFZSGAGY-MRVPVSSYSA-N -3 1 417.344 -0.110 20 0 HBADML C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1c[nH]cn1)OC[P@](=O)([O-])O ZINC001187732039 1071597649 /nfs/dbraw/zinc/59/76/49/1071597649.db2.gz UKROLLSFZSGAGY-MRVPVSSYSA-N -2 1 417.344 -0.110 20 0 HBADML COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001188353227 1071607075 /nfs/dbraw/zinc/60/70/75/1071607075.db2.gz ULLYCSCMJHLMFM-UHFFFAOYSA-N -3 1 423.344 -0.717 20 0 HBADML COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O ZINC001188353227 1071607070 /nfs/dbraw/zinc/60/70/70/1071607070.db2.gz ULLYCSCMJHLMFM-UHFFFAOYSA-N -2 1 423.344 -0.717 20 0 HBADML O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189703644 1071628716 /nfs/dbraw/zinc/62/87/16/1071628716.db2.gz LGZFJTUZFZLXSL-LBPRGKRZSA-N -2 1 410.408 -0.412 20 0 HBADML CCOC(=O)CNC(=O)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001189874318 1071630488 /nfs/dbraw/zinc/63/04/88/1071630488.db2.gz WFEICBVGYATGNW-UHFFFAOYSA-N -2 1 402.304 -0.337 20 0 HBADML N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190256986 1071637324 /nfs/dbraw/zinc/63/73/24/1071637324.db2.gz BXIGUTBNWTVLGH-UHFFFAOYSA-N -2 1 419.379 -0.440 20 0 HBADML COC(=O)[C@H](C)NC(=O)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001190506467 1071641341 /nfs/dbraw/zinc/64/13/41/1071641341.db2.gz UMILAJLCKRWJPS-QMMMGPOBSA-N -2 1 402.304 -0.339 20 0 HBADML O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190689474 1071644153 /nfs/dbraw/zinc/64/41/53/1071644153.db2.gz IZBXPDXFQPIQOV-UHFFFAOYSA-N -3 1 403.317 -0.498 20 0 HBADML O=[P@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190689474 1071644151 /nfs/dbraw/zinc/64/41/51/1071644151.db2.gz IZBXPDXFQPIQOV-UHFFFAOYSA-N -2 1 403.317 -0.498 20 0 HBADML C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1)OCP(=O)([O-])[O-] ZINC001190690065 1071644277 /nfs/dbraw/zinc/64/42/77/1071644277.db2.gz VGTXMJWSSJTQGY-MRVPVSSYSA-N -3 1 417.344 -0.110 20 0 HBADML C[C@H](Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ncc[nH]1)OC[P@](=O)([O-])O ZINC001190690065 1071644274 /nfs/dbraw/zinc/64/42/74/1071644274.db2.gz VGTXMJWSSJTQGY-MRVPVSSYSA-N -2 1 417.344 -0.110 20 0 HBADML COC(=O)c1ccc([O-])c(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001192399781 1071668588 /nfs/dbraw/zinc/66/85/88/1071668588.db2.gz GUGALVIDJCMZCF-ZDUSSCGKSA-N -2 1 404.379 -0.166 20 0 HBADML O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193205223 1071679607 /nfs/dbraw/zinc/67/96/07/1071679607.db2.gz FJCMUIWITSBEPT-JTQLQIEISA-N -3 1 421.372 -0.101 20 0 HBADML O=[P@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193205223 1071679605 /nfs/dbraw/zinc/67/96/05/1071679605.db2.gz FJCMUIWITSBEPT-JTQLQIEISA-N -2 1 421.372 -0.101 20 0 HBADML O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193205224 1071679579 /nfs/dbraw/zinc/67/95/79/1071679579.db2.gz FJCMUIWITSBEPT-SNVBAGLBSA-N -3 1 421.372 -0.101 20 0 HBADML O=[P@]([O-])(O)COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193205224 1071679577 /nfs/dbraw/zinc/67/95/77/1071679577.db2.gz FJCMUIWITSBEPT-SNVBAGLBSA-N -2 1 421.372 -0.101 20 0 HBADML Cn1ccnc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001193557598 1071688712 /nfs/dbraw/zinc/68/87/12/1071688712.db2.gz QWKSPURBLICFKZ-UHFFFAOYSA-N -3 1 417.344 -0.488 20 0 HBADML Cn1ccnc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O ZINC001193557598 1071688710 /nfs/dbraw/zinc/68/87/10/1071688710.db2.gz QWKSPURBLICFKZ-UHFFFAOYSA-N -2 1 417.344 -0.488 20 0 HBADML CCOC(=O)CNC(=S)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001195521658 1071719810 /nfs/dbraw/zinc/71/98/10/1071719810.db2.gz ZVERDUYZRKDDEB-UHFFFAOYSA-N -2 1 418.372 -0.172 20 0 HBADML CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001195938837 1071728675 /nfs/dbraw/zinc/72/86/75/1071728675.db2.gz FMDPVZILUMNESP-UHFFFAOYSA-N -3 1 423.344 -0.717 20 0 HBADML CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O ZINC001195938837 1071728667 /nfs/dbraw/zinc/72/86/67/1071728667.db2.gz FMDPVZILUMNESP-UHFFFAOYSA-N -2 1 423.344 -0.717 20 0 HBADML COC(=O)CNC(=S)Nc1ncnc2c1ncn2C[C@@H](C)OCP(=O)([O-])[O-] ZINC001197153912 1071746064 /nfs/dbraw/zinc/74/60/64/1071746064.db2.gz BQKMJLSWTOSQGM-MRVPVSSYSA-N -2 1 418.372 -0.174 20 0 HBADML COC(=O)CNC(=S)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001197155791 1071745912 /nfs/dbraw/zinc/74/59/12/1071745912.db2.gz ZUSVINZOIBQNAJ-UHFFFAOYSA-N -2 1 404.345 -0.563 20 0 HBADML C=CS(=O)(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001198569478 1071764926 /nfs/dbraw/zinc/76/49/26/1071764926.db2.gz BBMHLGVWGZQKLQ-DJLDLDEBSA-N -2 1 421.328 -0.531 20 0 HBADML COC(=O)CCNC(=S)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001199983078 1071785216 /nfs/dbraw/zinc/78/52/16/1071785216.db2.gz PXTVLENCLUQOOV-UHFFFAOYSA-N -2 1 418.372 -0.172 20 0 HBADML COC(=O)CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001201912640 1071797772 /nfs/dbraw/zinc/79/77/72/1071797772.db2.gz HPSLAYACVHYPFD-UHFFFAOYSA-N -3 1 417.439 -0.125 20 0 HBADML