smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348578 1069094534 /nfs/dbraw/zinc/09/45/34/1069094534.db2.gz KZHYWCIQWFIKHF-CQSZACIVSA-N 2 1 401.533 -0.879 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348578 1069094515 /nfs/dbraw/zinc/09/45/15/1069094515.db2.gz KZHYWCIQWFIKHF-CQSZACIVSA-N 2 1 401.533 -0.879 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348579 1069094763 /nfs/dbraw/zinc/09/47/63/1069094763.db2.gz KZHYWCIQWFIKHF-AWEZNQCLSA-N 2 1 401.533 -0.879 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000060348579 1069094750 /nfs/dbraw/zinc/09/47/50/1069094750.db2.gz KZHYWCIQWFIKHF-AWEZNQCLSA-N 2 1 401.533 -0.879 20 0 HBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)ccc2oc1=O ZINC000060603881 1069096011 /nfs/dbraw/zinc/09/60/11/1069096011.db2.gz GBAPOOBDHIXOPQ-UHFFFAOYSA-N 2 1 419.482 -0.067 20 0 HBADMP CC(C)[NH+](C)CC(=O)NCCS(=O)(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000109312508 1069216964 /nfs/dbraw/zinc/21/69/64/1069216964.db2.gz RBUMKUAHUNCIJU-UHFFFAOYSA-N 2 1 419.592 -0.743 20 0 HBADMP CC(C)[NH+](C)CC(=O)NCCS(=O)(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000109312508 1069216954 /nfs/dbraw/zinc/21/69/54/1069216954.db2.gz RBUMKUAHUNCIJU-UHFFFAOYSA-N 2 1 419.592 -0.743 20 0 HBADMP CC(C)[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000109312508 1069216940 /nfs/dbraw/zinc/21/69/40/1069216940.db2.gz RBUMKUAHUNCIJU-UHFFFAOYSA-N 2 1 419.592 -0.743 20 0 HBADMP COCCNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000302850923 1071297061 /nfs/dbraw/zinc/29/70/61/1071297061.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 2 1 402.547 -0.075 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995607 1070450239 /nfs/dbraw/zinc/45/02/39/1070450239.db2.gz RTYIHCSTMKMJDF-MHORFTMASA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995607 1070450236 /nfs/dbraw/zinc/45/02/36/1070450236.db2.gz RTYIHCSTMKMJDF-MHORFTMASA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995607 1070450230 /nfs/dbraw/zinc/45/02/30/1070450230.db2.gz RTYIHCSTMKMJDF-MHORFTMASA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995608 1070450424 /nfs/dbraw/zinc/45/04/24/1070450424.db2.gz RTYIHCSTMKMJDF-USTZCAOPSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995608 1070450418 /nfs/dbraw/zinc/45/04/18/1070450418.db2.gz RTYIHCSTMKMJDF-USTZCAOPSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995608 1070450414 /nfs/dbraw/zinc/45/04/14/1070450414.db2.gz RTYIHCSTMKMJDF-USTZCAOPSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995609 1070450316 /nfs/dbraw/zinc/45/03/16/1070450316.db2.gz RTYIHCSTMKMJDF-XLAORIBOSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995609 1070450310 /nfs/dbraw/zinc/45/03/10/1070450310.db2.gz RTYIHCSTMKMJDF-XLAORIBOSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995609 1070450303 /nfs/dbraw/zinc/45/03/03/1070450303.db2.gz RTYIHCSTMKMJDF-XLAORIBOSA-N 2 1 412.531 -0.792 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995610 1070450330 /nfs/dbraw/zinc/45/03/30/1070450330.db2.gz RTYIHCSTMKMJDF-XSLAGTTESA-N 2 1 412.531 -0.792 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427110480 1070466675 /nfs/dbraw/zinc/46/66/75/1070466675.db2.gz LMILLBUFNYRNLY-KRWDZBQOSA-N 2 1 406.531 0.561 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427110481 1070466901 /nfs/dbraw/zinc/46/69/01/1070466901.db2.gz LMILLBUFNYRNLY-QGZVFWFLSA-N 2 1 406.531 0.561 20 0 HBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230560 1070485591 /nfs/dbraw/zinc/48/55/91/1070485591.db2.gz FXSZDWKGWWWENW-HNNXBMFYSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230560 1070485588 /nfs/dbraw/zinc/48/55/88/1070485588.db2.gz FXSZDWKGWWWENW-HNNXBMFYSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230561 1070485671 /nfs/dbraw/zinc/48/56/71/1070485671.db2.gz FXSZDWKGWWWENW-OAHLLOKOSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427230561 1070485666 /nfs/dbraw/zinc/48/56/66/1070485666.db2.gz FXSZDWKGWWWENW-OAHLLOKOSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1CC(C)(C)O ZINC000427310424 1070496447 /nfs/dbraw/zinc/49/64/47/1070496447.db2.gz ZJKKBEDYFJSFIN-HNNXBMFYSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000427310424 1070496442 /nfs/dbraw/zinc/49/64/42/1070496442.db2.gz ZJKKBEDYFJSFIN-HNNXBMFYSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1CC(C)(C)O ZINC000427310425 1070496644 /nfs/dbraw/zinc/49/66/44/1070496644.db2.gz ZJKKBEDYFJSFIN-OAHLLOKOSA-N 2 1 406.531 0.392 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000427310425 1070496638 /nfs/dbraw/zinc/49/66/38/1070496638.db2.gz ZJKKBEDYFJSFIN-OAHLLOKOSA-N 2 1 406.531 0.392 20 0 HBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)n2)CC1 ZINC000427529983 1070525443 /nfs/dbraw/zinc/52/54/43/1070525443.db2.gz HAURXVPKJWHLLO-INIZCTEOSA-N 2 1 404.515 0.269 20 0 HBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)n2)CC1 ZINC000427529984 1070526003 /nfs/dbraw/zinc/52/60/03/1070526003.db2.gz HAURXVPKJWHLLO-MRXNPFEDSA-N 2 1 404.515 0.269 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427532214 1069664024 /nfs/dbraw/zinc/66/40/24/1069664024.db2.gz XCOCNTYXDIRYLQ-UHFFFAOYSA-N 2 1 419.530 -0.289 20 0 HBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)n2)CC1 ZINC000427578685 1070657830 /nfs/dbraw/zinc/65/78/30/1070657830.db2.gz PSTLIOWNFPBLQW-UHFFFAOYSA-N 2 1 404.515 0.412 20 0 HBADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000427849735 1070745965 /nfs/dbraw/zinc/74/59/65/1070745965.db2.gz GHDDGVVZBYXSKX-HDICACEKSA-N 2 1 413.522 -0.038 20 0 HBADMP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000427849735 1070745953 /nfs/dbraw/zinc/74/59/53/1070745953.db2.gz GHDDGVVZBYXSKX-HDICACEKSA-N 2 1 413.522 -0.038 20 0 HBADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764910 /nfs/dbraw/zinc/76/49/10/1070764910.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764905 /nfs/dbraw/zinc/76/49/05/1070764905.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764898 /nfs/dbraw/zinc/76/48/98/1070764898.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)ccc2=O)CC[NH+]1C ZINC000428021531 1068845712 /nfs/dbraw/zinc/84/57/12/1068845712.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)ccc2=O)CC[NH+]1C ZINC000428021531 1068845702 /nfs/dbraw/zinc/84/57/02/1068845702.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)n2)CC[NH+]1C ZINC000428021531 1068845688 /nfs/dbraw/zinc/84/56/88/1068845688.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)ccc2=O)CC[NH+]1C ZINC000428021533 1070764658 /nfs/dbraw/zinc/76/46/58/1070764658.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)ccc2=O)CC[NH+]1C ZINC000428021533 1070764651 /nfs/dbraw/zinc/76/46/51/1070764651.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)ccc2=O)CC[N@@H+]1C ZINC000428021533 1070764644 /nfs/dbraw/zinc/76/46/44/1070764644.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021536 1068845626 /nfs/dbraw/zinc/84/56/26/1068845626.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021536 1068845618 /nfs/dbraw/zinc/84/56/18/1068845618.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021536 1068845606 /nfs/dbraw/zinc/84/56/06/1068845606.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000428021655 1070764766 /nfs/dbraw/zinc/76/47/66/1070764766.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000428021655 1070764761 /nfs/dbraw/zinc/76/47/61/1070764761.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000428021655 1070764753 /nfs/dbraw/zinc/76/47/53/1070764753.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccc2=O)[C@@H](C)C[NH+]1C ZINC000428021656 1070764967 /nfs/dbraw/zinc/76/49/67/1070764967.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)ccc2=O)[C@@H](C)C[NH+]1C ZINC000428021656 1070764958 /nfs/dbraw/zinc/76/49/58/1070764958.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)ccc2=O)[C@@H](C)C[N@H+]1C ZINC000428021656 1070764950 /nfs/dbraw/zinc/76/49/50/1070764950.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845933 /nfs/dbraw/zinc/84/59/33/1068845933.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845921 /nfs/dbraw/zinc/84/59/21/1068845921.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845914 /nfs/dbraw/zinc/84/59/14/1068845914.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1=O ZINC000428021658 1070764813 /nfs/dbraw/zinc/76/48/13/1070764813.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1=O ZINC000428021658 1070764806 /nfs/dbraw/zinc/76/48/06/1070764806.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000428021658 1070764801 /nfs/dbraw/zinc/76/48/01/1070764801.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 2 1 418.542 -0.041 20 0 HBADMP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351731 /nfs/dbraw/zinc/35/17/31/1071351731.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351727 /nfs/dbraw/zinc/35/17/27/1071351727.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C/C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351723 /nfs/dbraw/zinc/35/17/23/1071351723.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808027 1071351565 /nfs/dbraw/zinc/35/15/65/1071351565.db2.gz SHYDEHYOAFGWQY-DOOVEFGSSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351653 /nfs/dbraw/zinc/35/16/53/1071351653.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351651 /nfs/dbraw/zinc/35/16/51/1071351651.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C\C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351643 /nfs/dbraw/zinc/35/16/43/1071351643.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 2 1 408.590 -0.526 20 0 HBADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808029 1071351470 /nfs/dbraw/zinc/35/14/70/1071351470.db2.gz SHYDEHYOAFGWQY-ILNYKDOHSA-N 2 1 408.590 -0.526 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429192034 1069424473 /nfs/dbraw/zinc/42/44/73/1069424473.db2.gz QFECJXSRUVLZRC-INIZCTEOSA-N 2 1 406.597 -0.124 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429192035 1069424634 /nfs/dbraw/zinc/42/46/34/1069424634.db2.gz QFECJXSRUVLZRC-MRXNPFEDSA-N 2 1 406.597 -0.124 20 0 HBADMP CN(CC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000430996975 1068567527 /nfs/dbraw/zinc/56/75/27/1068567527.db2.gz SYAFMAAZRSCTKO-UHFFFAOYSA-N 2 1 405.547 -0.218 20 0 HBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000431259751 1068598202 /nfs/dbraw/zinc/59/82/02/1068598202.db2.gz QOWNUKDJBKZIIG-GOSISDBHSA-N 2 1 419.526 -0.630 20 0 HBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000431259752 1068598264 /nfs/dbraw/zinc/59/82/64/1068598264.db2.gz QOWNUKDJBKZIIG-SFHVURJKSA-N 2 1 419.526 -0.630 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431918165 1069094351 /nfs/dbraw/zinc/09/43/51/1069094351.db2.gz FLFQQMRZQIWZRJ-KRWDZBQOSA-N 2 1 410.563 -0.135 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431918166 1069094283 /nfs/dbraw/zinc/09/42/83/1069094283.db2.gz FLFQQMRZQIWZRJ-QGZVFWFLSA-N 2 1 410.563 -0.135 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431986501 1069173343 /nfs/dbraw/zinc/17/33/43/1069173343.db2.gz MOHIYVSWHDULGW-UHFFFAOYSA-N 2 1 410.563 -0.170 20 0 HBADMP Cc1nc(N2CCC[NH+]([C@@H](C)CO)CC2)nc(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000432827066 1069343731 /nfs/dbraw/zinc/34/37/31/1069343731.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 2 1 407.563 -0.034 20 0 HBADMP Cc1nc(N2CCC[NH+]([C@@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000432827066 1069343719 /nfs/dbraw/zinc/34/37/19/1069343719.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 2 1 407.563 -0.034 20 0 HBADMP Cc1nc(N2CCC[NH+]([C@H](C)CO)CC2)nc(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000432827066 1069343706 /nfs/dbraw/zinc/34/37/06/1069343706.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 2 1 407.563 -0.034 20 0 HBADMP Cc1nc(N2CCC[NH+]([C@H](C)CO)CC2)nc(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000432827067 1069344209 /nfs/dbraw/zinc/34/42/09/1069344209.db2.gz AQQSBSJMKKAGDR-IAGOWNOFSA-N 2 1 407.563 -0.034 20 0 HBADMP Cc1nc(N2CCC[NH+]([C@@H](C)CO)CC2)nc(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000432827068 1069343925 /nfs/dbraw/zinc/34/39/25/1069343925.db2.gz AQQSBSJMKKAGDR-IRXDYDNUSA-N 2 1 407.563 -0.034 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000434558120 1069792457 /nfs/dbraw/zinc/79/24/57/1069792457.db2.gz UTKATTLNMFMMCR-KRWDZBQOSA-N 2 1 419.530 -0.368 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000434558122 1069792812 /nfs/dbraw/zinc/79/28/12/1069792812.db2.gz UTKATTLNMFMMCR-QGZVFWFLSA-N 2 1 419.530 -0.368 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)n2)c1C ZINC000434574479 1069795339 /nfs/dbraw/zinc/79/53/39/1069795339.db2.gz KZQPNDNOOJENQG-UHFFFAOYSA-N 2 1 424.465 0.331 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)n2)c1C ZINC000434590586 1069798007 /nfs/dbraw/zinc/79/80/07/1069798007.db2.gz ASAZQVUYOZTDLB-UHFFFAOYSA-N 2 1 401.471 0.496 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)n2)c1C ZINC000434590586 1069797996 /nfs/dbraw/zinc/79/79/96/1069797996.db2.gz ASAZQVUYOZTDLB-UHFFFAOYSA-N 2 1 401.471 0.496 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)c1C ZINC000434604279 1069800236 /nfs/dbraw/zinc/80/02/36/1069800236.db2.gz CTCCLFQREQPPDC-UHFFFAOYSA-N 2 1 401.471 0.497 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)n2)c1C ZINC000434886237 1069850764 /nfs/dbraw/zinc/85/07/64/1069850764.db2.gz LIVLXKUZYHTGSV-IBGZPJMESA-N 2 1 419.486 -0.286 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)n2)c1C ZINC000434886238 1069851287 /nfs/dbraw/zinc/85/12/87/1069851287.db2.gz LIVLXKUZYHTGSV-LJQANCHMSA-N 2 1 419.486 -0.286 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)n2)c1C ZINC000435316959 1069901986 /nfs/dbraw/zinc/90/19/86/1069901986.db2.gz BHUHXPOXGBZKFP-GASCZTMLSA-N 2 1 413.482 0.305 20 0 HBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)n2)c1C ZINC000435316959 1069901978 /nfs/dbraw/zinc/90/19/78/1069901978.db2.gz BHUHXPOXGBZKFP-GASCZTMLSA-N 2 1 413.482 0.305 20 0 HBADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396310 1069975122 /nfs/dbraw/zinc/97/51/22/1069975122.db2.gz YTUAPWCLJNIGDE-HDICACEKSA-N 2 1 400.564 -0.160 20 0 HBADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396310 1069975109 /nfs/dbraw/zinc/97/51/09/1069975109.db2.gz YTUAPWCLJNIGDE-HDICACEKSA-N 2 1 400.564 -0.160 20 0 HBADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396310 1069975101 /nfs/dbraw/zinc/97/51/01/1069975101.db2.gz YTUAPWCLJNIGDE-HDICACEKSA-N 2 1 400.564 -0.160 20 0 HBADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396312 1069974840 /nfs/dbraw/zinc/97/48/40/1069974840.db2.gz YTUAPWCLJNIGDE-QZTJIDSGSA-N 2 1 400.564 -0.160 20 0 HBADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396314 1069974998 /nfs/dbraw/zinc/97/49/98/1069974998.db2.gz YTUAPWCLJNIGDE-ROUUACIJSA-N 2 1 400.564 -0.160 20 0 HBADMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)CC(C)(C)O)CC1)CC(C)(C)O ZINC000436416806 1069976679 /nfs/dbraw/zinc/97/66/79/1069976679.db2.gz YRORFHFMSYBHAX-UHFFFAOYSA-N 2 1 400.564 -0.157 20 0 HBADMP O=C(NCC[NH+]1CCCOCC1)[C@H]1CC[C@H](C(=O)NCC[N@H+]2CCCOCC2)O1 ZINC000438669781 1070164010 /nfs/dbraw/zinc/16/40/10/1070164010.db2.gz BGPDHSSPYHXRJU-QZTJIDSGSA-N 2 1 412.531 -0.789 20 0 HBADMP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)O1 ZINC000438669784 1070163722 /nfs/dbraw/zinc/16/37/22/1070163722.db2.gz BGPDHSSPYHXRJU-ROUUACIJSA-N 2 1 412.531 -0.789 20 0 HBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780685 1070184015 /nfs/dbraw/zinc/18/40/15/1070184015.db2.gz IMPCKYKOWKOGMA-BBWFWOEESA-N 2 1 406.531 0.483 20 0 HBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780685 1070184012 /nfs/dbraw/zinc/18/40/12/1070184012.db2.gz IMPCKYKOWKOGMA-BBWFWOEESA-N 2 1 406.531 0.483 20 0 HBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000438780696 1070183972 /nfs/dbraw/zinc/18/39/72/1070183972.db2.gz IMPCKYKOWKOGMA-BRWVUGGUSA-N 2 1 406.531 0.483 20 0 HBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780701 1070184042 /nfs/dbraw/zinc/18/40/42/1070184042.db2.gz IMPCKYKOWKOGMA-IXDOHACOSA-N 2 1 406.531 0.483 20 0 HBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000438780701 1070184037 /nfs/dbraw/zinc/18/40/37/1070184037.db2.gz IMPCKYKOWKOGMA-IXDOHACOSA-N 2 1 406.531 0.483 20 0 HBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000438780704 1070184100 /nfs/dbraw/zinc/18/41/00/1070184100.db2.gz IMPCKYKOWKOGMA-ZACQAIPSSA-N 2 1 406.531 0.483 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213220 1070246514 /nfs/dbraw/zinc/24/65/14/1070246514.db2.gz UPQBBKPDXOATEO-INIZCTEOSA-N 2 1 407.519 -0.558 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213222 1070246327 /nfs/dbraw/zinc/24/63/27/1070246327.db2.gz UPQBBKPDXOATEO-MRXNPFEDSA-N 2 1 407.519 -0.558 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216491 1070247217 /nfs/dbraw/zinc/24/72/17/1070247217.db2.gz PDJFJVWGJVBLOI-INIZCTEOSA-N 2 1 421.546 -0.216 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216494 1070246934 /nfs/dbraw/zinc/24/69/34/1070246934.db2.gz PDJFJVWGJVBLOI-MRXNPFEDSA-N 2 1 421.546 -0.216 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218510 1070245691 /nfs/dbraw/zinc/24/56/91/1070245691.db2.gz VHVMJLAHKRKMMM-KRWDZBQOSA-N 2 1 421.546 -0.216 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218511 1070245833 /nfs/dbraw/zinc/24/58/33/1070245833.db2.gz VHVMJLAHKRKMMM-QGZVFWFLSA-N 2 1 421.546 -0.216 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221047 1070248213 /nfs/dbraw/zinc/24/82/13/1070248213.db2.gz GHPGHVMTOYTHHW-INIZCTEOSA-N 2 1 421.546 -0.249 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221048 1070247837 /nfs/dbraw/zinc/24/78/37/1070247837.db2.gz GHPGHVMTOYTHHW-MRXNPFEDSA-N 2 1 421.546 -0.249 20 0 HBADMP CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000439589820 1070289750 /nfs/dbraw/zinc/28/97/50/1070289750.db2.gz QNSBWZGXTZFZLD-INIZCTEOSA-N 2 1 405.503 -0.806 20 0 HBADMP CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439589821 1070289682 /nfs/dbraw/zinc/28/96/82/1070289682.db2.gz QNSBWZGXTZFZLD-MRXNPFEDSA-N 2 1 405.503 -0.806 20 0 HBADMP OCC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CCO)CC3)n3ncnc3n2)CC1 ZINC000439957343 1070320915 /nfs/dbraw/zinc/32/09/15/1070320915.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 2 1 404.519 -0.867 20 0 HBADMP OCC[NH+]1CCCN(c2cc(N3CCC[N@H+](CCO)CC3)n3ncnc3n2)CC1 ZINC000439957343 1070320898 /nfs/dbraw/zinc/32/08/98/1070320898.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 2 1 404.519 -0.867 20 0 HBADMP OCC[NH+]1CCCN(c2cc(N3CCC[N@H+](CCO)CC3)nc3ncnn32)CC1 ZINC000439957343 1070320882 /nfs/dbraw/zinc/32/08/82/1070320882.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 2 1 404.519 -0.867 20 0 HBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000441048995 1070579118 /nfs/dbraw/zinc/57/91/18/1070579118.db2.gz UCKCWHCIULRKFV-DOTOQJQBSA-N 2 1 421.546 -0.312 20 0 HBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000441048996 1070578966 /nfs/dbraw/zinc/57/89/66/1070578966.db2.gz UCKCWHCIULRKFV-NVXWUHKLSA-N 2 1 421.546 -0.312 20 0 HBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000441048997 1070579243 /nfs/dbraw/zinc/57/92/43/1070579243.db2.gz UCKCWHCIULRKFV-RDJZCZTQSA-N 2 1 421.546 -0.312 20 0 HBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000441048998 1070579184 /nfs/dbraw/zinc/57/91/84/1070579184.db2.gz UCKCWHCIULRKFV-WBVHZDCISA-N 2 1 421.546 -0.312 20 0 HBADMP CC(C)[NH+]1CCC(N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000441062147 1070578272 /nfs/dbraw/zinc/57/82/72/1070578272.db2.gz LJENDOUQMGBXNY-UHFFFAOYSA-N 2 1 417.558 -0.076 20 0 HBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083141 1070580286 /nfs/dbraw/zinc/58/02/86/1070580286.db2.gz CDVYLVUCKCKWHX-CABCVRRESA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083141 1070580270 /nfs/dbraw/zinc/58/02/70/1070580270.db2.gz CDVYLVUCKCKWHX-CABCVRRESA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083142 1070580453 /nfs/dbraw/zinc/58/04/53/1070580453.db2.gz CDVYLVUCKCKWHX-GJZGRUSLSA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083142 1070580442 /nfs/dbraw/zinc/58/04/42/1070580442.db2.gz CDVYLVUCKCKWHX-GJZGRUSLSA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083186 1070580602 /nfs/dbraw/zinc/58/06/02/1070580602.db2.gz CDVYLVUCKCKWHX-HUUCEWRRSA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000441083186 1070580591 /nfs/dbraw/zinc/58/05/91/1070580591.db2.gz CDVYLVUCKCKWHX-HUUCEWRRSA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083187 1070580486 /nfs/dbraw/zinc/58/04/86/1070580486.db2.gz CDVYLVUCKCKWHX-LSDHHAIUSA-N 2 1 407.519 -0.560 20 0 HBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000441083187 1070580476 /nfs/dbraw/zinc/58/04/76/1070580476.db2.gz CDVYLVUCKCKWHX-LSDHHAIUSA-N 2 1 407.519 -0.560 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000441518447 1070668613 /nfs/dbraw/zinc/66/86/13/1070668613.db2.gz YFQRCEXPVYLWKV-DOTOQJQBSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000441518454 1070668642 /nfs/dbraw/zinc/66/86/42/1070668642.db2.gz YFQRCEXPVYLWKV-NVXWUHKLSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000441518459 1070668669 /nfs/dbraw/zinc/66/86/69/1070668669.db2.gz YFQRCEXPVYLWKV-RDJZCZTQSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000441518462 1070668738 /nfs/dbraw/zinc/66/87/38/1070668738.db2.gz YFQRCEXPVYLWKV-WBVHZDCISA-N 2 1 419.530 -0.558 20 0 HBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000441584039 1070677839 /nfs/dbraw/zinc/67/78/39/1070677839.db2.gz GVFLWMPIWMFHPB-MSOLQXFVSA-N 2 1 419.526 -0.170 20 0 HBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000441584040 1070677865 /nfs/dbraw/zinc/67/78/65/1070677865.db2.gz GVFLWMPIWMFHPB-QZTJIDSGSA-N 2 1 419.526 -0.170 20 0 HBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000441584041 1070677737 /nfs/dbraw/zinc/67/77/37/1070677737.db2.gz GVFLWMPIWMFHPB-ROUUACIJSA-N 2 1 419.526 -0.170 20 0 HBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000441584042 1070677663 /nfs/dbraw/zinc/67/76/63/1070677663.db2.gz GVFLWMPIWMFHPB-ZWKOTPCHSA-N 2 1 419.526 -0.170 20 0 HBADMP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000441835026 1070785967 /nfs/dbraw/zinc/78/59/67/1070785967.db2.gz PUFBXEHBQYNMNT-UHFFFAOYSA-N 2 1 419.526 -0.364 20 0 HBADMP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000441842706 1070784783 /nfs/dbraw/zinc/78/47/83/1070784783.db2.gz JDUYWKBAJUBLBG-UHFFFAOYSA-N 2 1 405.499 -0.293 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000441993671 1070816290 /nfs/dbraw/zinc/81/62/90/1070816290.db2.gz SVXHPBSXZPQFTK-HNNXBMFYSA-N 2 1 419.482 -0.069 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000441993672 1070815916 /nfs/dbraw/zinc/81/59/16/1070815916.db2.gz SVXHPBSXZPQFTK-OAHLLOKOSA-N 2 1 419.482 -0.069 20 0 HBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442003846 1070820706 /nfs/dbraw/zinc/82/07/06/1070820706.db2.gz UJWTVAQZGXMEKY-SJORKVTESA-N 2 1 419.530 -0.415 20 0 HBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442036005 1070839236 /nfs/dbraw/zinc/83/92/36/1070839236.db2.gz SKPWPSVSLSWAGU-FQEVSTJZSA-N 2 1 408.499 -0.235 20 0 HBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442036007 1070839843 /nfs/dbraw/zinc/83/98/43/1070839843.db2.gz SKPWPSVSLSWAGU-HXUWFJFHSA-N 2 1 408.499 -0.235 20 0 HBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442053396 1070842430 /nfs/dbraw/zinc/84/24/30/1070842430.db2.gz HMVBGLBMLZPEAL-FQEVSTJZSA-N 2 1 408.499 -0.235 20 0 HBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442053398 1070841796 /nfs/dbraw/zinc/84/17/96/1070841796.db2.gz HMVBGLBMLZPEAL-HXUWFJFHSA-N 2 1 408.499 -0.235 20 0 HBADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000442168503 1070862666 /nfs/dbraw/zinc/86/26/66/1070862666.db2.gz QRUWWUGMKIDRGC-UHFFFAOYSA-N 2 1 405.499 -0.245 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1(C)C ZINC000442981790 1070956569 /nfs/dbraw/zinc/95/65/69/1070956569.db2.gz VSPUJWJHZVZPQK-GOSISDBHSA-N 2 1 409.575 -0.158 20 0 HBADMP C[N@@H+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1(C)C ZINC000442981790 1070956558 /nfs/dbraw/zinc/95/65/58/1070956558.db2.gz VSPUJWJHZVZPQK-GOSISDBHSA-N 2 1 409.575 -0.158 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1(C)C ZINC000442981792 1070956482 /nfs/dbraw/zinc/95/64/82/1070956482.db2.gz VSPUJWJHZVZPQK-SFHVURJKSA-N 2 1 409.575 -0.158 20 0 HBADMP C[N@@H+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1(C)C ZINC000442981792 1070956458 /nfs/dbraw/zinc/95/64/58/1070956458.db2.gz VSPUJWJHZVZPQK-SFHVURJKSA-N 2 1 409.575 -0.158 20 0 HBADMP C[NH+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000443049892 1070961262 /nfs/dbraw/zinc/96/12/62/1070961262.db2.gz QIOKFJGHKAXJGH-UHFFFAOYSA-N 2 1 420.601 -0.261 20 0 HBADMP C[NH+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)N3C[C@H]4C[N@H+](C)C[C@H]4C3)C[C@@H]2C1 ZINC000443201312 1070981574 /nfs/dbraw/zinc/98/15/74/1070981574.db2.gz SFSNNILPGVIGFT-WNKDZCFJSA-N 2 1 420.601 -0.977 20 0 HBADMP O=S(=O)(CCCS(=O)(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000443220701 1070984417 /nfs/dbraw/zinc/98/44/17/1070984417.db2.gz BBTFTRVWPKLYJB-UHFFFAOYSA-N 2 1 420.601 -0.404 20 0 HBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446043128 1071454256 /nfs/dbraw/zinc/45/42/56/1071454256.db2.gz ALQYOBJLQVLBLI-KRWDZBQOSA-N 2 1 421.546 -0.168 20 0 HBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446043129 1071454413 /nfs/dbraw/zinc/45/44/13/1071454413.db2.gz ALQYOBJLQVLBLI-QGZVFWFLSA-N 2 1 421.546 -0.168 20 0 HBADMP CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457013 /nfs/dbraw/zinc/45/70/13/1071457013.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 2 1 424.586 -0.157 20 0 HBADMP CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457009 /nfs/dbraw/zinc/45/70/09/1071457009.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 2 1 424.586 -0.157 20 0 HBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457004 /nfs/dbraw/zinc/45/70/04/1071457004.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 2 1 424.586 -0.157 20 0 HBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068019 1071456702 /nfs/dbraw/zinc/45/67/02/1071456702.db2.gz BUCAJNQLHJAFGR-QZTJIDSGSA-N 2 1 424.586 -0.157 20 0 HBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@@H]1O ZINC000446068020 1071457707 /nfs/dbraw/zinc/45/77/07/1071457707.db2.gz BUCAJNQLHJAFGR-ROUUACIJSA-N 2 1 424.586 -0.157 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124350 1071465463 /nfs/dbraw/zinc/46/54/63/1071465463.db2.gz ABDBUQQKUQCYNT-CVEARBPZSA-N 2 1 414.576 -0.039 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124354 1071465509 /nfs/dbraw/zinc/46/55/09/1071465509.db2.gz ABDBUQQKUQCYNT-HOTGVXAUSA-N 2 1 414.576 -0.039 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124356 1071465555 /nfs/dbraw/zinc/46/55/55/1071465555.db2.gz ABDBUQQKUQCYNT-HZPDHXFCSA-N 2 1 414.576 -0.039 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124358 1071465597 /nfs/dbraw/zinc/46/55/97/1071465597.db2.gz ABDBUQQKUQCYNT-JKSUJKDBSA-N 2 1 414.576 -0.039 20 0 HBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)ccc2oc1=O ZINC000446225795 1071475149 /nfs/dbraw/zinc/47/51/49/1071475149.db2.gz JAZLDFDIOIKYQI-UHFFFAOYSA-N 2 1 419.482 -0.067 20 0 HBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)ccc2oc1=O ZINC000446225795 1071475143 /nfs/dbraw/zinc/47/51/43/1071475143.db2.gz JAZLDFDIOIKYQI-UHFFFAOYSA-N 2 1 419.482 -0.067 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000446732131 1071510539 /nfs/dbraw/zinc/51/05/39/1071510539.db2.gz ONHGRYMOBQQTRM-UHFFFAOYSA-N 2 1 419.574 0.450 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000446751041 1069545862 /nfs/dbraw/zinc/54/58/62/1069545862.db2.gz JQSOKGOMURQZFP-NRFANRHFSA-N 2 1 414.510 0.136 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000446751042 1071515868 /nfs/dbraw/zinc/51/58/68/1071515868.db2.gz JQSOKGOMURQZFP-OAQYLSRUSA-N 2 1 414.510 0.136 20 0 HBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446778941 1069649182 /nfs/dbraw/zinc/64/91/82/1069649182.db2.gz YEFKXOSYGBHIEL-KRWDZBQOSA-N 2 1 406.531 0.535 20 0 HBADMP Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)nc(C)[nH+]1 ZINC000446809055 1069575937 /nfs/dbraw/zinc/57/59/37/1069575937.db2.gz OZJLFOAMJCUZJL-UHFFFAOYSA-N 2 1 414.514 0.575 20 0 HBADMP CCS(=O)(=O)NCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000447205108 1068964151 /nfs/dbraw/zinc/96/41/51/1068964151.db2.gz XLMRSFLMXUMVRM-UHFFFAOYSA-N 2 1 419.573 -0.548 20 0 HBADMP C[C@@H]1CN(CC(O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270325 1068967719 /nfs/dbraw/zinc/96/77/19/1068967719.db2.gz GYIHOYCDBRMTSA-QZTJIDSGSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1CN(C[C@@H](O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270326 1068967700 /nfs/dbraw/zinc/96/77/00/1068967700.db2.gz GYIHOYCDBRMTSA-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1CN(C[C@@H](O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270326 1068967693 /nfs/dbraw/zinc/96/76/93/1068967693.db2.gz GYIHOYCDBRMTSA-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1CN(C[C@@H](O)CN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000447270326 1068967687 /nfs/dbraw/zinc/96/76/87/1068967687.db2.gz GYIHOYCDBRMTSA-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@H]1CN(CC(O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270327 1068968327 /nfs/dbraw/zinc/96/83/27/1068968327.db2.gz GYIHOYCDBRMTSA-ROUUACIJSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC(O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000447272963 1068966484 /nfs/dbraw/zinc/96/64/84/1068966484.db2.gz UAJHQRZNIDLHEO-QZTJIDSGSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)CN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000447272964 1068966439 /nfs/dbraw/zinc/96/64/39/1068966439.db2.gz UAJHQRZNIDLHEO-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C[C@@H](O)CN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000447272964 1068966429 /nfs/dbraw/zinc/96/64/29/1068966429.db2.gz UAJHQRZNIDLHEO-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C[C@@H](O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000447272964 1068966415 /nfs/dbraw/zinc/96/64/15/1068966415.db2.gz UAJHQRZNIDLHEO-REPLKXPHSA-N 2 1 400.608 -0.099 20 0 HBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1CC(O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000447272965 1068966726 /nfs/dbraw/zinc/96/67/26/1068966726.db2.gz UAJHQRZNIDLHEO-ROUUACIJSA-N 2 1 400.608 -0.099 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cn1 ZINC000447426667 1068977481 /nfs/dbraw/zinc/97/74/81/1068977481.db2.gz DVEXJQBHZLPDRB-UHFFFAOYSA-N 2 1 421.546 -0.262 20 0 HBADMP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000448126247 1069028581 /nfs/dbraw/zinc/02/85/81/1069028581.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 2 1 406.579 -0.015 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000448320963 1069041928 /nfs/dbraw/zinc/04/19/28/1069041928.db2.gz KYTCHMWJBSMRHU-INIZCTEOSA-N 2 1 421.546 -0.264 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000448320971 1069042192 /nfs/dbraw/zinc/04/21/92/1069042192.db2.gz KYTCHMWJBSMRHU-MRXNPFEDSA-N 2 1 421.546 -0.264 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000448486021 1069057094 /nfs/dbraw/zinc/05/70/94/1069057094.db2.gz POMHHJSRDWTJAY-GOSISDBHSA-N 2 1 414.510 -0.081 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000448501956 1069062416 /nfs/dbraw/zinc/06/24/16/1069062416.db2.gz VLLVZDKQTABNMD-UHFFFAOYSA-N 2 1 414.510 0.532 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000448526612 1069065417 /nfs/dbraw/zinc/06/54/17/1069065417.db2.gz BLBCQODFNVLMIZ-UHFFFAOYSA-N 2 1 406.531 0.535 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000448534839 1069066042 /nfs/dbraw/zinc/06/60/42/1069066042.db2.gz LZEGKYWLHNIRRX-UHFFFAOYSA-N 2 1 414.510 0.532 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1 ZINC000460233099 1069357432 /nfs/dbraw/zinc/35/74/32/1069357432.db2.gz VCNBUFHYNNJNPB-BBTUJRGHSA-N 2 1 401.511 -0.049 20 0 HBADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)C1 ZINC000460233099 1069357417 /nfs/dbraw/zinc/35/74/17/1069357417.db2.gz VCNBUFHYNNJNPB-BBTUJRGHSA-N 2 1 401.511 -0.049 20 0 HBADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)C1 ZINC000460233100 1069357521 /nfs/dbraw/zinc/35/75/21/1069357521.db2.gz VCNBUFHYNNJNPB-UEXGIBASSA-N 2 1 401.511 -0.049 20 0 HBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C[C@@H]1C ZINC000461233282 1069661996 /nfs/dbraw/zinc/66/19/96/1069661996.db2.gz GJYHPASZTUGAOU-VJANTYMQSA-N 2 1 412.575 -0.016 20 0 HBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000461233283 1069662788 /nfs/dbraw/zinc/66/27/88/1069662788.db2.gz GJYHPASZTUGAOU-YRXWBPOGSA-N 2 1 412.575 -0.016 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)C1 ZINC000461550590 1069693692 /nfs/dbraw/zinc/69/36/92/1069693692.db2.gz WAVNCDSFRYMRAF-FGZHOGPDSA-N 2 1 418.538 -0.863 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)C1 ZINC000461550591 1069693489 /nfs/dbraw/zinc/69/34/89/1069693489.db2.gz WAVNCDSFRYMRAF-SZPZYZBQSA-N 2 1 418.538 -0.863 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)C1 ZINC000461550591 1069693487 /nfs/dbraw/zinc/69/34/87/1069693487.db2.gz WAVNCDSFRYMRAF-SZPZYZBQSA-N 2 1 418.538 -0.863 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)C1 ZINC000461550591 1069693484 /nfs/dbraw/zinc/69/34/84/1069693484.db2.gz WAVNCDSFRYMRAF-SZPZYZBQSA-N 2 1 418.538 -0.863 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)C1 ZINC000461550592 1069693603 /nfs/dbraw/zinc/69/36/03/1069693603.db2.gz WAVNCDSFRYMRAF-VXKWHMMOSA-N 2 1 418.538 -0.863 20 0 HBADMP COC(=O)Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000462252851 1071264937 /nfs/dbraw/zinc/26/49/37/1071264937.db2.gz LIMDDCDIXJPZRM-UHFFFAOYSA-N 2 1 422.511 -0.058 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462288174 1071268764 /nfs/dbraw/zinc/26/87/64/1071268764.db2.gz GGJUSEOHABXVQF-CYBMUJFWSA-N 2 1 402.521 -0.084 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462288175 1071268864 /nfs/dbraw/zinc/26/88/64/1071268864.db2.gz GGJUSEOHABXVQF-ZDUSSCGKSA-N 2 1 402.521 -0.084 20 0 HBADMP O=C(C[NH+]1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852837 1071495295 /nfs/dbraw/zinc/49/52/95/1071495295.db2.gz ITABZZKOJMCCKG-FGZHOGPDSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(C[NH+]1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852847 1071495364 /nfs/dbraw/zinc/49/53/64/1071495364.db2.gz ITABZZKOJMCCKG-SZPZYZBQSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(C[NH+]1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852847 1071495360 /nfs/dbraw/zinc/49/53/60/1071495360.db2.gz ITABZZKOJMCCKG-SZPZYZBQSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(C[NH+]1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852847 1071495356 /nfs/dbraw/zinc/49/53/56/1071495356.db2.gz ITABZZKOJMCCKG-SZPZYZBQSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(C[NH+]1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852851 1071495417 /nfs/dbraw/zinc/49/54/17/1071495417.db2.gz ITABZZKOJMCCKG-VXKWHMMOSA-N 2 1 420.554 -0.118 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465179414 1071522226 /nfs/dbraw/zinc/52/22/26/1071522226.db2.gz YBKSQYDNLUFCQT-INIZCTEOSA-N 2 1 418.542 -0.087 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465179415 1071522476 /nfs/dbraw/zinc/52/24/76/1071522476.db2.gz YBKSQYDNLUFCQT-MRXNPFEDSA-N 2 1 418.542 -0.087 20 0 HBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465850443 1069185931 /nfs/dbraw/zinc/18/59/31/1069185931.db2.gz SNNAQJQRIUGZRO-NRFANRHFSA-N 2 1 421.542 -0.140 20 0 HBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465850456 1069185816 /nfs/dbraw/zinc/18/58/16/1069185816.db2.gz SNNAQJQRIUGZRO-OAQYLSRUSA-N 2 1 421.542 -0.140 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225658 /nfs/dbraw/zinc/22/56/58/1069225658.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225644 /nfs/dbraw/zinc/22/56/44/1069225644.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225633 /nfs/dbraw/zinc/22/56/33/1069225633.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225920 /nfs/dbraw/zinc/22/59/20/1069225920.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225915 /nfs/dbraw/zinc/22/59/15/1069225915.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225907 /nfs/dbraw/zinc/22/59/07/1069225907.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225563 /nfs/dbraw/zinc/22/55/63/1069225563.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225552 /nfs/dbraw/zinc/22/55/52/1069225552.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225541 /nfs/dbraw/zinc/22/55/41/1069225541.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069226015 /nfs/dbraw/zinc/22/60/15/1069226015.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069226001 /nfs/dbraw/zinc/22/60/01/1069226001.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069225993 /nfs/dbraw/zinc/22/59/93/1069225993.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 2 1 410.563 -0.184 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465948793 1069225946 /nfs/dbraw/zinc/22/59/46/1069225946.db2.gz CFQZFCIYAHJGLT-KRWDZBQOSA-N 2 1 410.563 -0.231 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465948804 1069225713 /nfs/dbraw/zinc/22/57/13/1069225713.db2.gz CFQZFCIYAHJGLT-QGZVFWFLSA-N 2 1 410.563 -0.231 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000465950110 1069226105 /nfs/dbraw/zinc/22/61/05/1069226105.db2.gz LUPPCFUEDWDMJU-GOSISDBHSA-N 2 1 422.574 -0.231 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000465950110 1069226088 /nfs/dbraw/zinc/22/60/88/1069226088.db2.gz LUPPCFUEDWDMJU-GOSISDBHSA-N 2 1 422.574 -0.231 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000465950111 1069225850 /nfs/dbraw/zinc/22/58/50/1069225850.db2.gz LUPPCFUEDWDMJU-SFHVURJKSA-N 2 1 422.574 -0.231 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000465950111 1069225842 /nfs/dbraw/zinc/22/58/42/1069225842.db2.gz LUPPCFUEDWDMJU-SFHVURJKSA-N 2 1 422.574 -0.231 20 0 HBADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467375135 1072005766 /nfs/dbraw/zinc/00/57/66/1072005766.db2.gz DECWMJMAAYHXHO-UHFFFAOYSA-N 2 1 404.515 -0.121 20 0 HBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000467677866 1072022277 /nfs/dbraw/zinc/02/22/77/1072022277.db2.gz UGGMANJOTMDNFS-INIZCTEOSA-N 2 1 418.498 -0.419 20 0 HBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000467677866 1072022268 /nfs/dbraw/zinc/02/22/68/1072022268.db2.gz UGGMANJOTMDNFS-INIZCTEOSA-N 2 1 418.498 -0.419 20 0 HBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000467677867 1072022174 /nfs/dbraw/zinc/02/21/74/1072022174.db2.gz UGGMANJOTMDNFS-MRXNPFEDSA-N 2 1 418.498 -0.419 20 0 HBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000467677867 1072022165 /nfs/dbraw/zinc/02/21/65/1072022165.db2.gz UGGMANJOTMDNFS-MRXNPFEDSA-N 2 1 418.498 -0.419 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426338 1072067881 /nfs/dbraw/zinc/06/78/81/1072067881.db2.gz JRNVFJBCJVSCBT-INIZCTEOSA-N 2 1 412.622 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426338 1072067869 /nfs/dbraw/zinc/06/78/69/1072067869.db2.gz JRNVFJBCJVSCBT-INIZCTEOSA-N 2 1 412.622 -0.054 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426339 1072068152 /nfs/dbraw/zinc/06/81/52/1072068152.db2.gz JRNVFJBCJVSCBT-MRXNPFEDSA-N 2 1 412.622 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468426339 1072068144 /nfs/dbraw/zinc/06/81/44/1072068144.db2.gz JRNVFJBCJVSCBT-MRXNPFEDSA-N 2 1 412.622 -0.054 20 0 HBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000468788847 1072094398 /nfs/dbraw/zinc/09/43/98/1072094398.db2.gz BIMOYGKECCGDAB-IBGZPJMESA-N 2 1 415.538 -0.143 20 0 HBADMP C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000468789440 1072094196 /nfs/dbraw/zinc/09/41/96/1072094196.db2.gz BIMOYGKECCGDAB-LJQANCHMSA-N 2 1 415.538 -0.143 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812150 1072095527 /nfs/dbraw/zinc/09/55/27/1072095527.db2.gz DAYKXLZVOWVBQR-KRWDZBQOSA-N 2 1 404.577 -0.185 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812150 1072095519 /nfs/dbraw/zinc/09/55/19/1072095519.db2.gz DAYKXLZVOWVBQR-KRWDZBQOSA-N 2 1 404.577 -0.185 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812150 1072095512 /nfs/dbraw/zinc/09/55/12/1072095512.db2.gz DAYKXLZVOWVBQR-KRWDZBQOSA-N 2 1 404.577 -0.185 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812234 1069187021 /nfs/dbraw/zinc/18/70/21/1069187021.db2.gz DAYKXLZVOWVBQR-QGZVFWFLSA-N 2 1 404.577 -0.185 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812234 1069187017 /nfs/dbraw/zinc/18/70/17/1069187017.db2.gz DAYKXLZVOWVBQR-QGZVFWFLSA-N 2 1 404.577 -0.185 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812234 1069187015 /nfs/dbraw/zinc/18/70/15/1069187015.db2.gz DAYKXLZVOWVBQR-QGZVFWFLSA-N 2 1 404.577 -0.185 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccnc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000468870126 1072098443 /nfs/dbraw/zinc/09/84/43/1072098443.db2.gz FKQIRIXOWBNAEU-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccnc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000468870126 1072098432 /nfs/dbraw/zinc/09/84/32/1072098432.db2.gz FKQIRIXOWBNAEU-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)ccn2)C1 ZINC000468870126 1072098418 /nfs/dbraw/zinc/09/84/18/1072098418.db2.gz FKQIRIXOWBNAEU-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccnc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000468870220 1072098293 /nfs/dbraw/zinc/09/82/93/1072098293.db2.gz FKQIRIXOWBNAEU-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccnc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000468870220 1072098282 /nfs/dbraw/zinc/09/82/82/1072098282.db2.gz FKQIRIXOWBNAEU-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)ccn2)C1 ZINC000468870220 1072098274 /nfs/dbraw/zinc/09/82/74/1072098274.db2.gz FKQIRIXOWBNAEU-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccnc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000468870672 1072098578 /nfs/dbraw/zinc/09/85/78/1072098578.db2.gz FKQIRIXOWBNAEU-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccnc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000468870672 1072098566 /nfs/dbraw/zinc/09/85/66/1072098566.db2.gz FKQIRIXOWBNAEU-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)ccn2)C1 ZINC000468870672 1072098556 /nfs/dbraw/zinc/09/85/56/1072098556.db2.gz FKQIRIXOWBNAEU-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000469099184 1072109460 /nfs/dbraw/zinc/10/94/60/1072109460.db2.gz XCMWRIQIYYPHFQ-HNNXBMFYSA-N 2 1 405.503 -0.994 20 0 HBADMP C[NH+](C)CCN1C[C@H](C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000469099364 1072109465 /nfs/dbraw/zinc/10/94/65/1072109465.db2.gz XCMWRIQIYYPHFQ-OAHLLOKOSA-N 2 1 405.503 -0.994 20 0 HBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000469302393 1072118009 /nfs/dbraw/zinc/11/80/09/1072118009.db2.gz KVUFEYJBWUBPEF-GOSISDBHSA-N 2 1 407.559 -0.201 20 0 HBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000469302418 1072117990 /nfs/dbraw/zinc/11/79/90/1072117990.db2.gz KVUFEYJBWUBPEF-SFHVURJKSA-N 2 1 407.559 -0.201 20 0 HBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)CCCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470093582 1069300959 /nfs/dbraw/zinc/30/09/59/1069300959.db2.gz ZJCAAAXZYSAWSB-KDURUIRLSA-N 2 1 412.575 -0.013 20 0 HBADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470093582 1069300942 /nfs/dbraw/zinc/30/09/42/1069300942.db2.gz ZJCAAAXZYSAWSB-KDURUIRLSA-N 2 1 412.575 -0.013 20 0 HBADMP C[C@H](CO)[NH+]1CCCN(C(=O)CCCC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000470093582 1069300925 /nfs/dbraw/zinc/30/09/25/1069300925.db2.gz ZJCAAAXZYSAWSB-KDURUIRLSA-N 2 1 412.575 -0.013 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000470379489 1071463029 /nfs/dbraw/zinc/46/30/29/1071463029.db2.gz MGYIKGAZLRAPEJ-QGZVFWFLSA-N 2 1 403.593 -0.562 20 0 HBADMP C[N@H+](CCNC(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1)Cc1ccccc1 ZINC000471233275 1068274474 /nfs/dbraw/zinc/27/44/74/1068274474.db2.gz CRNAWCOFBNCMIR-UHFFFAOYSA-N 2 1 415.538 -0.095 20 0 HBADMP C[N@@H+](CCNC(=O)C1CCN(CC(=O)N2CCNC(=O)C2)CC1)Cc1ccccc1 ZINC000471233275 1068274469 /nfs/dbraw/zinc/27/44/69/1068274469.db2.gz CRNAWCOFBNCMIR-UHFFFAOYSA-N 2 1 415.538 -0.095 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473966791 1070635417 /nfs/dbraw/zinc/63/54/17/1070635417.db2.gz PLQRCKKVXIBMTQ-UHFFFAOYSA-N 2 1 410.563 -0.265 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474015553 1070717106 /nfs/dbraw/zinc/71/71/06/1070717106.db2.gz YLUBOFRKCOKDIT-KRWDZBQOSA-N 2 1 410.563 -0.265 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474015553 1070717093 /nfs/dbraw/zinc/71/70/93/1070717093.db2.gz YLUBOFRKCOKDIT-KRWDZBQOSA-N 2 1 410.563 -0.265 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474015554 1070717198 /nfs/dbraw/zinc/71/71/98/1070717198.db2.gz YLUBOFRKCOKDIT-QGZVFWFLSA-N 2 1 410.563 -0.265 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474015554 1070717185 /nfs/dbraw/zinc/71/71/85/1070717185.db2.gz YLUBOFRKCOKDIT-QGZVFWFLSA-N 2 1 410.563 -0.265 20 0 HBADMP CC(C)(O)C[NH+]1CCN(C(=O)C2(C(=O)N3CC[NH+](CC(C)(C)O)CC3)CCC2)CC1 ZINC000474703986 1071152482 /nfs/dbraw/zinc/15/24/82/1071152482.db2.gz XURBYTUVWVWUBZ-UHFFFAOYSA-N 2 1 424.586 -0.013 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000475705035 1069160691 /nfs/dbraw/zinc/16/06/91/1069160691.db2.gz ZCYOKFOPOKBWBC-INIZCTEOSA-N 2 1 407.519 -0.076 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000475705036 1069160545 /nfs/dbraw/zinc/16/05/45/1069160545.db2.gz ZCYOKFOPOKBWBC-MRXNPFEDSA-N 2 1 407.519 -0.076 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC1CC[NH+](CCO)CC1 ZINC000476511822 1069429911 /nfs/dbraw/zinc/42/99/11/1069429911.db2.gz LQMZFDMWIJNVTR-UHFFFAOYSA-N 2 1 405.547 -0.008 20 0 HBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476828594 1069500401 /nfs/dbraw/zinc/50/04/01/1069500401.db2.gz NPBDDDXDWIJCKJ-VJANTYMQSA-N 2 1 412.575 -0.016 20 0 HBADMP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476828595 1069501023 /nfs/dbraw/zinc/50/10/23/1069501023.db2.gz NPBDDDXDWIJCKJ-YRXWBPOGSA-N 2 1 412.575 -0.016 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000477503202 1069576788 /nfs/dbraw/zinc/57/67/88/1069576788.db2.gz YAWWXPSCUWGZQU-HNNXBMFYSA-N 2 1 400.549 -0.320 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000477503202 1069576782 /nfs/dbraw/zinc/57/67/82/1069576782.db2.gz YAWWXPSCUWGZQU-HNNXBMFYSA-N 2 1 400.549 -0.320 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000477503204 1069576649 /nfs/dbraw/zinc/57/66/49/1069576649.db2.gz YAWWXPSCUWGZQU-OAHLLOKOSA-N 2 1 400.549 -0.320 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000477503204 1069576638 /nfs/dbraw/zinc/57/66/38/1069576638.db2.gz YAWWXPSCUWGZQU-OAHLLOKOSA-N 2 1 400.549 -0.320 20 0 HBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000477611235 1069591984 /nfs/dbraw/zinc/59/19/84/1069591984.db2.gz BMKXHXIJOUNECI-IBGZPJMESA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000477611236 1069592090 /nfs/dbraw/zinc/59/20/90/1069592090.db2.gz BMKXHXIJOUNECI-LJQANCHMSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000477645738 1069595505 /nfs/dbraw/zinc/59/55/05/1069595505.db2.gz NUPDBFFBIWMSMV-KRWDZBQOSA-N 2 1 411.547 -0.728 20 0 HBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000477645739 1069595408 /nfs/dbraw/zinc/59/54/08/1069595408.db2.gz NUPDBFFBIWMSMV-QGZVFWFLSA-N 2 1 411.547 -0.728 20 0 HBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000477683603 1069597678 /nfs/dbraw/zinc/59/76/78/1069597678.db2.gz PLYNOQWDFJDJQL-YOFSQIOKSA-N 2 1 421.586 -0.017 20 0 HBADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000477728506 1069599426 /nfs/dbraw/zinc/59/94/26/1069599426.db2.gz RKNLWDQLZZNBKU-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000477728507 1069599265 /nfs/dbraw/zinc/59/92/65/1069599265.db2.gz RKNLWDQLZZNBKU-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000479053728 1069936554 /nfs/dbraw/zinc/93/65/54/1069936554.db2.gz ZWIKZCYEESVFNR-UHFFFAOYSA-N 2 1 403.527 -0.143 20 0 HBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000479094337 1069940533 /nfs/dbraw/zinc/94/05/33/1069940533.db2.gz FGDPARIDUOGBPM-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000479094337 1069940526 /nfs/dbraw/zinc/94/05/26/1069940526.db2.gz FGDPARIDUOGBPM-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000479094337 1069940517 /nfs/dbraw/zinc/94/05/17/1069940517.db2.gz FGDPARIDUOGBPM-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000479094342 1069940786 /nfs/dbraw/zinc/94/07/86/1069940786.db2.gz FGDPARIDUOGBPM-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP C[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000479094342 1069940774 /nfs/dbraw/zinc/94/07/74/1069940774.db2.gz FGDPARIDUOGBPM-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000479094342 1069940764 /nfs/dbraw/zinc/94/07/64/1069940764.db2.gz FGDPARIDUOGBPM-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000479147641 1069950867 /nfs/dbraw/zinc/95/08/67/1069950867.db2.gz XCHUXMWSXIHESJ-UHFFFAOYSA-N 2 1 403.527 -0.097 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000479147641 1069950857 /nfs/dbraw/zinc/95/08/57/1069950857.db2.gz XCHUXMWSXIHESJ-UHFFFAOYSA-N 2 1 403.527 -0.097 20 0 HBADMP COCC[NH+](CCOC)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000479317684 1069971160 /nfs/dbraw/zinc/97/11/60/1069971160.db2.gz RWVWHFUTFUPYAJ-UHFFFAOYSA-N 2 1 413.563 -0.081 20 0 HBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2 ZINC000479323011 1069971365 /nfs/dbraw/zinc/97/13/65/1069971365.db2.gz YAYGEBBTQLMXEM-ALOPSCKCSA-N 2 1 408.547 -0.467 20 0 HBADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2 ZINC000479323011 1069971360 /nfs/dbraw/zinc/97/13/60/1069971360.db2.gz YAYGEBBTQLMXEM-ALOPSCKCSA-N 2 1 408.547 -0.467 20 0 HBADMP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194691 1070077787 /nfs/dbraw/zinc/07/77/87/1070077787.db2.gz IHRUNAXPURCUSR-QAETUUGQSA-N 2 1 422.578 -0.882 20 0 HBADMP COc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195447 1070078181 /nfs/dbraw/zinc/07/81/81/1070078181.db2.gz ILULGTNKCRDBMR-QAETUUGQSA-N 2 1 423.562 -0.337 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201021 1069331728 /nfs/dbraw/zinc/33/17/28/1069331728.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201021 1069331709 /nfs/dbraw/zinc/33/17/09/1069331709.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[NH+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[N@H+]1CCO ZINC000480201021 1069331698 /nfs/dbraw/zinc/33/16/98/1069331698.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201022 1069332354 /nfs/dbraw/zinc/33/23/54/1069332354.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201022 1069332337 /nfs/dbraw/zinc/33/23/37/1069332337.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201022 1069332319 /nfs/dbraw/zinc/33/23/19/1069332319.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201023 1069332100 /nfs/dbraw/zinc/33/21/00/1069332100.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@H](C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000480201023 1069332086 /nfs/dbraw/zinc/33/20/86/1069332086.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201023 1069332070 /nfs/dbraw/zinc/33/20/70/1069332070.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[NH+](CCO)[C@@H](C)C3)nc3ncnn32)CC[N@H+]1CCO ZINC000480201024 1069331956 /nfs/dbraw/zinc/33/19/56/1069331956.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[NH+](CCO)[C@@H](C)C3)nc3ncnn32)CC[N@@H+]1CCO ZINC000480201024 1069331944 /nfs/dbraw/zinc/33/19/44/1069331944.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 2 1 404.519 -0.870 20 0 HBADMP C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201024 1069331933 /nfs/dbraw/zinc/33/19/33/1069331933.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 2 1 404.519 -0.870 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480203692 1070080393 /nfs/dbraw/zinc/08/03/93/1070080393.db2.gz WHDZOOGNUJJXRF-LUKYLMHMSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480203692 1070080374 /nfs/dbraw/zinc/08/03/74/1070080374.db2.gz WHDZOOGNUJJXRF-LUKYLMHMSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203692 1070080356 /nfs/dbraw/zinc/08/03/56/1070080356.db2.gz WHDZOOGNUJJXRF-LUKYLMHMSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203697 1070080049 /nfs/dbraw/zinc/08/00/49/1070080049.db2.gz WHDZOOGNUJJXRF-QAETUUGQSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203698 1070080266 /nfs/dbraw/zinc/08/02/66/1070080266.db2.gz WHDZOOGNUJJXRF-WNKDZCFJSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203698 1070080246 /nfs/dbraw/zinc/08/02/46/1070080246.db2.gz WHDZOOGNUJJXRF-WNKDZCFJSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203698 1070080233 /nfs/dbraw/zinc/08/02/33/1070080233.db2.gz WHDZOOGNUJJXRF-WNKDZCFJSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203700 1070079900 /nfs/dbraw/zinc/07/99/00/1070079900.db2.gz WHDZOOGNUJJXRF-YVSFHVDLSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203700 1070079879 /nfs/dbraw/zinc/07/98/79/1070079879.db2.gz WHDZOOGNUJJXRF-YVSFHVDLSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203700 1070079863 /nfs/dbraw/zinc/07/98/63/1070079863.db2.gz WHDZOOGNUJJXRF-YVSFHVDLSA-N 2 1 407.563 -0.037 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000480472194 1070104879 /nfs/dbraw/zinc/10/48/79/1070104879.db2.gz IBECHWCZGHHALL-UHFFFAOYSA-N 2 1 400.549 -0.496 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000480531167 1070115132 /nfs/dbraw/zinc/11/51/32/1070115132.db2.gz UMIKLKMIUKYFRW-INIZCTEOSA-N 2 1 414.576 -0.073 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480531182 1070115306 /nfs/dbraw/zinc/11/53/06/1070115306.db2.gz UMIKLKMIUKYFRW-MRXNPFEDSA-N 2 1 414.576 -0.073 20 0 HBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000481131395 1070185381 /nfs/dbraw/zinc/18/53/81/1070185381.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000481131395 1070185373 /nfs/dbraw/zinc/18/53/73/1070185373.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000481131395 1070185368 /nfs/dbraw/zinc/18/53/68/1070185368.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000481131396 1070185504 /nfs/dbraw/zinc/18/55/04/1070185504.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000481131396 1070185498 /nfs/dbraw/zinc/18/54/98/1070185498.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000481131396 1070185496 /nfs/dbraw/zinc/18/54/96/1070185496.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000481131397 1070185562 /nfs/dbraw/zinc/18/55/62/1070185562.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000481131397 1070185558 /nfs/dbraw/zinc/18/55/58/1070185558.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000481131397 1070185550 /nfs/dbraw/zinc/18/55/50/1070185550.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000481131398 1070185342 /nfs/dbraw/zinc/18/53/42/1070185342.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000481131398 1070185336 /nfs/dbraw/zinc/18/53/36/1070185336.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000481131398 1070185330 /nfs/dbraw/zinc/18/53/30/1070185330.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262970 1070200452 /nfs/dbraw/zinc/20/04/52/1070200452.db2.gz WDEJODWFPQYIED-MSOLQXFVSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262975 1070200312 /nfs/dbraw/zinc/20/03/12/1070200312.db2.gz WDEJODWFPQYIED-QZTJIDSGSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262978 1070200404 /nfs/dbraw/zinc/20/04/04/1070200404.db2.gz WDEJODWFPQYIED-ROUUACIJSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262983 1070200547 /nfs/dbraw/zinc/20/05/47/1070200547.db2.gz WDEJODWFPQYIED-ZWKOTPCHSA-N 2 1 407.559 -0.010 20 0 HBADMP C[NH+](C)C1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000482003131 1070282411 /nfs/dbraw/zinc/28/24/11/1070282411.db2.gz CZTLKDIIJNXTML-IBGZPJMESA-N 2 1 409.575 -0.158 20 0 HBADMP C[NH+](C)C1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000482003132 1070282295 /nfs/dbraw/zinc/28/22/95/1070282295.db2.gz CZTLKDIIJNXTML-LJQANCHMSA-N 2 1 409.575 -0.158 20 0 HBADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000483428509 1070336200 /nfs/dbraw/zinc/33/62/00/1070336200.db2.gz GGHUVYRXRCLXRR-MSOLQXFVSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000483428511 1070335986 /nfs/dbraw/zinc/33/59/86/1070335986.db2.gz GGHUVYRXRCLXRR-QZTJIDSGSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000483428512 1070335820 /nfs/dbraw/zinc/33/58/20/1070335820.db2.gz GGHUVYRXRCLXRR-ROUUACIJSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000483428514 1070336109 /nfs/dbraw/zinc/33/61/09/1070336109.db2.gz GGHUVYRXRCLXRR-ZWKOTPCHSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000483509757 1070338888 /nfs/dbraw/zinc/33/88/88/1070338888.db2.gz XIVUAZMKEJUMSK-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000483509757 1070338869 /nfs/dbraw/zinc/33/88/69/1070338869.db2.gz XIVUAZMKEJUMSK-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000483509757 1070338851 /nfs/dbraw/zinc/33/88/51/1070338851.db2.gz XIVUAZMKEJUMSK-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000483509759 1070339067 /nfs/dbraw/zinc/33/90/67/1070339067.db2.gz XIVUAZMKEJUMSK-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000483509759 1070339051 /nfs/dbraw/zinc/33/90/51/1070339051.db2.gz XIVUAZMKEJUMSK-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000483509759 1070339044 /nfs/dbraw/zinc/33/90/44/1070339044.db2.gz XIVUAZMKEJUMSK-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000483510130 1070339411 /nfs/dbraw/zinc/33/94/11/1070339411.db2.gz XIVUAZMKEJUMSK-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000483510130 1070339393 /nfs/dbraw/zinc/33/93/93/1070339393.db2.gz XIVUAZMKEJUMSK-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000483510130 1070339382 /nfs/dbraw/zinc/33/93/82/1070339382.db2.gz XIVUAZMKEJUMSK-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000483510132 1070339851 /nfs/dbraw/zinc/33/98/51/1070339851.db2.gz XIVUAZMKEJUMSK-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000483510132 1070339835 /nfs/dbraw/zinc/33/98/35/1070339835.db2.gz XIVUAZMKEJUMSK-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000483510132 1070339829 /nfs/dbraw/zinc/33/98/29/1070339829.db2.gz XIVUAZMKEJUMSK-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000484377472 1069554229 /nfs/dbraw/zinc/55/42/29/1069554229.db2.gz ZOJBXIGCNXZAHM-INIZCTEOSA-N 2 1 411.466 -0.029 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000484377473 1069554361 /nfs/dbraw/zinc/55/43/61/1069554361.db2.gz ZOJBXIGCNXZAHM-MRXNPFEDSA-N 2 1 411.466 -0.029 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485256738 1070442950 /nfs/dbraw/zinc/44/29/50/1070442950.db2.gz UQCNLHUCHCTIGL-KRWDZBQOSA-N 2 1 408.547 -0.513 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485256738 1070442943 /nfs/dbraw/zinc/44/29/43/1070442943.db2.gz UQCNLHUCHCTIGL-KRWDZBQOSA-N 2 1 408.547 -0.513 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485256741 1070443027 /nfs/dbraw/zinc/44/30/27/1070443027.db2.gz UQCNLHUCHCTIGL-QGZVFWFLSA-N 2 1 408.547 -0.513 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485256741 1070443022 /nfs/dbraw/zinc/44/30/22/1070443022.db2.gz UQCNLHUCHCTIGL-QGZVFWFLSA-N 2 1 408.547 -0.513 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000485496925 1070456435 /nfs/dbraw/zinc/45/64/35/1070456435.db2.gz VZAAZZOYHMDPJD-MSOLQXFVSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000485496925 1070456426 /nfs/dbraw/zinc/45/64/26/1070456426.db2.gz VZAAZZOYHMDPJD-MSOLQXFVSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000485496925 1070456415 /nfs/dbraw/zinc/45/64/15/1070456415.db2.gz VZAAZZOYHMDPJD-MSOLQXFVSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000485496958 1070456393 /nfs/dbraw/zinc/45/63/93/1070456393.db2.gz VZAAZZOYHMDPJD-QZTJIDSGSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000485496958 1070456385 /nfs/dbraw/zinc/45/63/85/1070456385.db2.gz VZAAZZOYHMDPJD-QZTJIDSGSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000485496958 1070456377 /nfs/dbraw/zinc/45/63/77/1070456377.db2.gz VZAAZZOYHMDPJD-QZTJIDSGSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000485496964 1070456610 /nfs/dbraw/zinc/45/66/10/1070456610.db2.gz VZAAZZOYHMDPJD-ROUUACIJSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000485496964 1070456603 /nfs/dbraw/zinc/45/66/03/1070456603.db2.gz VZAAZZOYHMDPJD-ROUUACIJSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000485496964 1070456594 /nfs/dbraw/zinc/45/65/94/1070456594.db2.gz VZAAZZOYHMDPJD-ROUUACIJSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000485496971 1070456723 /nfs/dbraw/zinc/45/67/23/1070456723.db2.gz VZAAZZOYHMDPJD-ZWKOTPCHSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000485496971 1070456719 /nfs/dbraw/zinc/45/67/19/1070456719.db2.gz VZAAZZOYHMDPJD-ZWKOTPCHSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000485496971 1070456718 /nfs/dbraw/zinc/45/67/18/1070456718.db2.gz VZAAZZOYHMDPJD-ZWKOTPCHSA-N 2 1 422.574 -0.123 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485563282 1070460564 /nfs/dbraw/zinc/46/05/64/1070460564.db2.gz VUMNFSJGVOLHDX-GOSISDBHSA-N 2 1 422.574 -0.075 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485563282 1070460558 /nfs/dbraw/zinc/46/05/58/1070460558.db2.gz VUMNFSJGVOLHDX-GOSISDBHSA-N 2 1 422.574 -0.075 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485563283 1070460662 /nfs/dbraw/zinc/46/06/62/1070460662.db2.gz VUMNFSJGVOLHDX-SFHVURJKSA-N 2 1 422.574 -0.075 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000485563283 1070460658 /nfs/dbraw/zinc/46/06/58/1070460658.db2.gz VUMNFSJGVOLHDX-SFHVURJKSA-N 2 1 422.574 -0.075 20 0 HBADMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)C1CC1 ZINC000485597311 1070462673 /nfs/dbraw/zinc/46/26/73/1070462673.db2.gz FHHBYJKSEIESHV-OALUTQOASA-N 2 1 413.522 -0.088 20 0 HBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2)C1CC1 ZINC000485597311 1070462663 /nfs/dbraw/zinc/46/26/63/1070462663.db2.gz FHHBYJKSEIESHV-OALUTQOASA-N 2 1 413.522 -0.088 20 0 HBADMP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2)C1CC1 ZINC000485597311 1070462655 /nfs/dbraw/zinc/46/26/55/1070462655.db2.gz FHHBYJKSEIESHV-OALUTQOASA-N 2 1 413.522 -0.088 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485598588 1070462889 /nfs/dbraw/zinc/46/28/89/1070462889.db2.gz XKFFSWAFDXXBQE-GOSISDBHSA-N 2 1 422.574 -0.123 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000485598589 1070463027 /nfs/dbraw/zinc/46/30/27/1070463027.db2.gz XKFFSWAFDXXBQE-SFHVURJKSA-N 2 1 422.574 -0.123 20 0 HBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000485630610 1070465447 /nfs/dbraw/zinc/46/54/47/1070465447.db2.gz WDVFKYRTMRAKEV-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000485630610 1070465441 /nfs/dbraw/zinc/46/54/41/1070465441.db2.gz WDVFKYRTMRAKEV-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000485756883 1070472592 /nfs/dbraw/zinc/47/25/92/1070472592.db2.gz LQWWIWQTRFJEOI-IBGZPJMESA-N 2 1 424.590 -0.676 20 0 HBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000485756883 1070472587 /nfs/dbraw/zinc/47/25/87/1070472587.db2.gz LQWWIWQTRFJEOI-IBGZPJMESA-N 2 1 424.590 -0.676 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000485756883 1070472580 /nfs/dbraw/zinc/47/25/80/1070472580.db2.gz LQWWIWQTRFJEOI-IBGZPJMESA-N 2 1 424.590 -0.676 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000485756884 1070472662 /nfs/dbraw/zinc/47/26/62/1070472662.db2.gz LQWWIWQTRFJEOI-LJQANCHMSA-N 2 1 424.590 -0.676 20 0 HBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000485756884 1070472658 /nfs/dbraw/zinc/47/26/58/1070472658.db2.gz LQWWIWQTRFJEOI-LJQANCHMSA-N 2 1 424.590 -0.676 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000485756884 1070472656 /nfs/dbraw/zinc/47/26/56/1070472656.db2.gz LQWWIWQTRFJEOI-LJQANCHMSA-N 2 1 424.590 -0.676 20 0 HBADMP COCCNc1nc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000485841855 1070475709 /nfs/dbraw/zinc/47/57/09/1070475709.db2.gz MGRWTHCMGFONHO-UHFFFAOYSA-N 3 1 406.579 -0.297 20 0 HBADMP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)nc(N4CCOCC4)n3)C[C@H]2C1 ZINC000486027221 1070486009 /nfs/dbraw/zinc/48/60/09/1070486009.db2.gz ITMQWKNPFJHSOC-USTZCAOPSA-N 2 1 414.558 -0.296 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489380 /nfs/dbraw/zinc/48/93/80/1070489380.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489375 /nfs/dbraw/zinc/48/93/75/1070489375.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 2 1 408.547 -0.478 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489371 /nfs/dbraw/zinc/48/93/71/1070489371.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489548 /nfs/dbraw/zinc/48/95/48/1070489548.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489542 /nfs/dbraw/zinc/48/95/42/1070489542.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 2 1 408.547 -0.478 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489538 /nfs/dbraw/zinc/48/95/38/1070489538.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489681 /nfs/dbraw/zinc/48/96/81/1070489681.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489675 /nfs/dbraw/zinc/48/96/75/1070489675.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 2 1 408.547 -0.478 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489672 /nfs/dbraw/zinc/48/96/72/1070489672.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489641 /nfs/dbraw/zinc/48/96/41/1070489641.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 2 1 408.547 -0.478 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489636 /nfs/dbraw/zinc/48/96/36/1070489636.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 2 1 408.547 -0.478 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489632 /nfs/dbraw/zinc/48/96/32/1070489632.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 2 1 408.547 -0.478 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)nc2)C1 ZINC000486235980 1070494537 /nfs/dbraw/zinc/49/45/37/1070494537.db2.gz SOVLBHHMPIPXOO-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)nc2)C1 ZINC000486235980 1070494534 /nfs/dbraw/zinc/49/45/34/1070494534.db2.gz SOVLBHHMPIPXOO-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)cn2)C1 ZINC000486235980 1070494529 /nfs/dbraw/zinc/49/45/29/1070494529.db2.gz SOVLBHHMPIPXOO-MSOLQXFVSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)nc2)C1 ZINC000486235981 1070494683 /nfs/dbraw/zinc/49/46/83/1070494683.db2.gz SOVLBHHMPIPXOO-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)nc2)C1 ZINC000486235981 1070494679 /nfs/dbraw/zinc/49/46/79/1070494679.db2.gz SOVLBHHMPIPXOO-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)cn2)C1 ZINC000486235981 1070494674 /nfs/dbraw/zinc/49/46/74/1070494674.db2.gz SOVLBHHMPIPXOO-QZTJIDSGSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)nc2)C1 ZINC000486235982 1070494570 /nfs/dbraw/zinc/49/45/70/1070494570.db2.gz SOVLBHHMPIPXOO-ROUUACIJSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)nc2)C1 ZINC000486235982 1070494567 /nfs/dbraw/zinc/49/45/67/1070494567.db2.gz SOVLBHHMPIPXOO-ROUUACIJSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)cn2)C1 ZINC000486235982 1070494559 /nfs/dbraw/zinc/49/45/59/1070494559.db2.gz SOVLBHHMPIPXOO-ROUUACIJSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)nc2)C1 ZINC000486235983 1070494462 /nfs/dbraw/zinc/49/44/62/1070494462.db2.gz SOVLBHHMPIPXOO-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)nc2)C1 ZINC000486235983 1070494458 /nfs/dbraw/zinc/49/44/58/1070494458.db2.gz SOVLBHHMPIPXOO-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)cn2)C1 ZINC000486235983 1070494450 /nfs/dbraw/zinc/49/44/50/1070494450.db2.gz SOVLBHHMPIPXOO-ZWKOTPCHSA-N 2 1 419.526 -0.017 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486247729 1070496329 /nfs/dbraw/zinc/49/63/29/1070496329.db2.gz ZVDCEJOSBLWPPR-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000486247729 1070496325 /nfs/dbraw/zinc/49/63/25/1070496325.db2.gz ZVDCEJOSBLWPPR-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000486247729 1070496320 /nfs/dbraw/zinc/49/63/20/1070496320.db2.gz ZVDCEJOSBLWPPR-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000486247735 1070496519 /nfs/dbraw/zinc/49/65/19/1070496519.db2.gz ZVDCEJOSBLWPPR-PMACEKPBSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000486247736 1070496457 /nfs/dbraw/zinc/49/64/57/1070496457.db2.gz ZVDCEJOSBLWPPR-WOJBJXKFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000486628100 1070509153 /nfs/dbraw/zinc/50/91/53/1070509153.db2.gz KONHVURQYPACSX-DISONHOPSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000486628100 1070509143 /nfs/dbraw/zinc/50/91/43/1070509143.db2.gz KONHVURQYPACSX-DISONHOPSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000486628100 1070509132 /nfs/dbraw/zinc/50/91/32/1070509132.db2.gz KONHVURQYPACSX-DISONHOPSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C(=O)N(C)C ZINC000486628120 1070508827 /nfs/dbraw/zinc/50/88/27/1070508827.db2.gz KONHVURQYPACSX-ICUGJSFKSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C[C@H]1C(=O)N(C)C ZINC000486628120 1070508816 /nfs/dbraw/zinc/50/88/16/1070508816.db2.gz KONHVURQYPACSX-ICUGJSFKSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1C(=O)N(C)C ZINC000486628120 1070508811 /nfs/dbraw/zinc/50/88/11/1070508811.db2.gz KONHVURQYPACSX-ICUGJSFKSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@H](C(=O)N(C)C)C1 ZINC000486628126 1070509082 /nfs/dbraw/zinc/50/90/82/1070509082.db2.gz KONHVURQYPACSX-SFFUCWETSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@H](C(=O)N(C)C)C1 ZINC000486628126 1070509064 /nfs/dbraw/zinc/50/90/64/1070509064.db2.gz KONHVURQYPACSX-SFFUCWETSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C(=O)N(C)C)C1 ZINC000486628126 1070509054 /nfs/dbraw/zinc/50/90/54/1070509054.db2.gz KONHVURQYPACSX-SFFUCWETSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H](C(=O)N(C)C)C1 ZINC000486628131 1070509011 /nfs/dbraw/zinc/50/90/11/1070509011.db2.gz KONHVURQYPACSX-UYTYNIKBSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@@H](C(=O)N(C)C)C1 ZINC000486628131 1070508995 /nfs/dbraw/zinc/50/89/95/1070508995.db2.gz KONHVURQYPACSX-UYTYNIKBSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C(=O)N(C)C)C1 ZINC000486628131 1070508980 /nfs/dbraw/zinc/50/89/80/1070508980.db2.gz KONHVURQYPACSX-UYTYNIKBSA-N 2 1 407.559 -0.491 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486883539 1070521061 /nfs/dbraw/zinc/52/10/61/1070521061.db2.gz QWRRYKHOJNRFDN-BDXSIMOUSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486883539 1070521055 /nfs/dbraw/zinc/52/10/55/1070521055.db2.gz QWRRYKHOJNRFDN-BDXSIMOUSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486883539 1070521046 /nfs/dbraw/zinc/52/10/46/1070521046.db2.gz QWRRYKHOJNRFDN-BDXSIMOUSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883540 1070521113 /nfs/dbraw/zinc/52/11/13/1070521113.db2.gz QWRRYKHOJNRFDN-OWSLCNJRSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883540 1070521101 /nfs/dbraw/zinc/52/11/01/1070521101.db2.gz QWRRYKHOJNRFDN-OWSLCNJRSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486883540 1070521093 /nfs/dbraw/zinc/52/10/93/1070521093.db2.gz QWRRYKHOJNRFDN-OWSLCNJRSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883542 1070520771 /nfs/dbraw/zinc/52/07/71/1070520771.db2.gz QWRRYKHOJNRFDN-VSZNYVQBSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883542 1070520757 /nfs/dbraw/zinc/52/07/57/1070520757.db2.gz QWRRYKHOJNRFDN-VSZNYVQBSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486883542 1070520744 /nfs/dbraw/zinc/52/07/44/1070520744.db2.gz QWRRYKHOJNRFDN-VSZNYVQBSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486883543 1070520918 /nfs/dbraw/zinc/52/09/18/1070520918.db2.gz QWRRYKHOJNRFDN-ZJPYXAASSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486883543 1070520904 /nfs/dbraw/zinc/52/09/04/1070520904.db2.gz QWRRYKHOJNRFDN-ZJPYXAASSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883543 1070520894 /nfs/dbraw/zinc/52/08/94/1070520894.db2.gz QWRRYKHOJNRFDN-ZJPYXAASSA-N 2 1 407.559 -0.441 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147692 1070533936 /nfs/dbraw/zinc/53/39/36/1070533936.db2.gz COWQMZPQHFHXFD-FUMNGEBKSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147692 1070533928 /nfs/dbraw/zinc/53/39/28/1070533928.db2.gz COWQMZPQHFHXFD-FUMNGEBKSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147692 1070533919 /nfs/dbraw/zinc/53/39/19/1070533919.db2.gz COWQMZPQHFHXFD-FUMNGEBKSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147694 1070533799 /nfs/dbraw/zinc/53/37/99/1070533799.db2.gz COWQMZPQHFHXFD-FYQPLNBISA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147694 1070533788 /nfs/dbraw/zinc/53/37/88/1070533788.db2.gz COWQMZPQHFHXFD-FYQPLNBISA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147694 1070533777 /nfs/dbraw/zinc/53/37/77/1070533777.db2.gz COWQMZPQHFHXFD-FYQPLNBISA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487147695 1070533890 /nfs/dbraw/zinc/53/38/90/1070533890.db2.gz COWQMZPQHFHXFD-YSTOQKLRSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487147695 1070533878 /nfs/dbraw/zinc/53/38/78/1070533878.db2.gz COWQMZPQHFHXFD-YSTOQKLRSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487147695 1070533872 /nfs/dbraw/zinc/53/38/72/1070533872.db2.gz COWQMZPQHFHXFD-YSTOQKLRSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487147696 1070533969 /nfs/dbraw/zinc/53/39/69/1070533969.db2.gz COWQMZPQHFHXFD-ZRNYENFQSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487147696 1070533958 /nfs/dbraw/zinc/53/39/58/1070533958.db2.gz COWQMZPQHFHXFD-ZRNYENFQSA-N 2 1 423.602 -0.341 20 0 HBADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147696 1070533951 /nfs/dbraw/zinc/53/39/51/1070533951.db2.gz COWQMZPQHFHXFD-ZRNYENFQSA-N 2 1 423.602 -0.341 20 0 HBADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000488606761 1070573454 /nfs/dbraw/zinc/57/34/54/1070573454.db2.gz GYAKGVPWDBKYPS-INIZCTEOSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000488606761 1070573441 /nfs/dbraw/zinc/57/34/41/1070573441.db2.gz GYAKGVPWDBKYPS-INIZCTEOSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000488606771 1070573535 /nfs/dbraw/zinc/57/35/35/1070573535.db2.gz GYAKGVPWDBKYPS-MRXNPFEDSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000488606771 1070573524 /nfs/dbraw/zinc/57/35/24/1070573524.db2.gz GYAKGVPWDBKYPS-MRXNPFEDSA-N 2 1 407.519 -0.702 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488840236 1070584217 /nfs/dbraw/zinc/58/42/17/1070584217.db2.gz GXROAHFTMGHILX-MOPGFXCFSA-N 2 1 408.543 -0.120 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488840238 1070584119 /nfs/dbraw/zinc/58/41/19/1070584119.db2.gz GXROAHFTMGHILX-OALUTQOASA-N 2 1 408.543 -0.120 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488840240 1070584043 /nfs/dbraw/zinc/58/40/43/1070584043.db2.gz GXROAHFTMGHILX-RBUKOAKNSA-N 2 1 408.543 -0.120 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488840243 1070583883 /nfs/dbraw/zinc/58/38/83/1070583883.db2.gz GXROAHFTMGHILX-RTBURBONSA-N 2 1 408.543 -0.120 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000489173988 1070596746 /nfs/dbraw/zinc/59/67/46/1070596746.db2.gz XALFXOKBNBAGQZ-IBGZPJMESA-N 2 1 409.575 -0.301 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000489173990 1070596858 /nfs/dbraw/zinc/59/68/58/1070596858.db2.gz XALFXOKBNBAGQZ-LJQANCHMSA-N 2 1 409.575 -0.301 20 0 HBADMP O=C(C[NH+]1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209694 1070598158 /nfs/dbraw/zinc/59/81/58/1070598158.db2.gz SYYJHCSNIOUZTM-FGZHOGPDSA-N 2 1 420.554 -0.649 20 0 HBADMP O=C(C[NH+]1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209696 1070598131 /nfs/dbraw/zinc/59/81/31/1070598131.db2.gz SYYJHCSNIOUZTM-SZPZYZBQSA-N 2 1 420.554 -0.649 20 0 HBADMP O=C(C[NH+]1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209696 1070598117 /nfs/dbraw/zinc/59/81/17/1070598117.db2.gz SYYJHCSNIOUZTM-SZPZYZBQSA-N 2 1 420.554 -0.649 20 0 HBADMP O=C(C[NH+]1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209696 1070598103 /nfs/dbraw/zinc/59/81/03/1070598103.db2.gz SYYJHCSNIOUZTM-SZPZYZBQSA-N 2 1 420.554 -0.649 20 0 HBADMP O=C(C[NH+]1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209699 1070598274 /nfs/dbraw/zinc/59/82/74/1070598274.db2.gz SYYJHCSNIOUZTM-VXKWHMMOSA-N 2 1 420.554 -0.649 20 0 HBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490366117 1070654377 /nfs/dbraw/zinc/65/43/77/1070654377.db2.gz JPMYQQJWZFZFBT-UHFFFAOYSA-N 2 1 407.519 -0.700 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388304 1070659958 /nfs/dbraw/zinc/65/99/58/1070659958.db2.gz VNTNCNWKJZJRLD-CVEARBPZSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388305 1070659692 /nfs/dbraw/zinc/65/96/92/1070659692.db2.gz VNTNCNWKJZJRLD-HOTGVXAUSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388306 1070659683 /nfs/dbraw/zinc/65/96/83/1070659683.db2.gz VNTNCNWKJZJRLD-HZPDHXFCSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388307 1070659839 /nfs/dbraw/zinc/65/98/39/1070659839.db2.gz VNTNCNWKJZJRLD-JKSUJKDBSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398476 1070661513 /nfs/dbraw/zinc/66/15/13/1070661513.db2.gz SNIAIFXEWXBEDR-HNNXBMFYSA-N 2 1 407.519 -0.653 20 0 HBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398477 1070661353 /nfs/dbraw/zinc/66/13/53/1070661353.db2.gz SNIAIFXEWXBEDR-OAHLLOKOSA-N 2 1 407.519 -0.653 20 0 HBADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402827 1070662112 /nfs/dbraw/zinc/66/21/12/1070662112.db2.gz AVZLOKLAYDYTKO-HNNXBMFYSA-N 2 1 407.519 -0.510 20 0 HBADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402829 1070662057 /nfs/dbraw/zinc/66/20/57/1070662057.db2.gz AVZLOKLAYDYTKO-OAHLLOKOSA-N 2 1 407.519 -0.510 20 0 HBADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000490408940 1070660555 /nfs/dbraw/zinc/66/05/55/1070660555.db2.gz OPBBXGAPTDMPDJ-CVEARBPZSA-N 2 1 421.546 -0.122 20 0 HBADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000490408941 1070660690 /nfs/dbraw/zinc/66/06/90/1070660690.db2.gz OPBBXGAPTDMPDJ-HOTGVXAUSA-N 2 1 421.546 -0.122 20 0 HBADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000490408942 1070660734 /nfs/dbraw/zinc/66/07/34/1070660734.db2.gz OPBBXGAPTDMPDJ-HZPDHXFCSA-N 2 1 421.546 -0.122 20 0 HBADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000490408943 1070660649 /nfs/dbraw/zinc/66/06/49/1070660649.db2.gz OPBBXGAPTDMPDJ-JKSUJKDBSA-N 2 1 421.546 -0.122 20 0 HBADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000490413966 1070660674 /nfs/dbraw/zinc/66/06/74/1070660674.db2.gz XDIIRJNRYYLLMV-CVEARBPZSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000490413967 1070660493 /nfs/dbraw/zinc/66/04/93/1070660493.db2.gz XDIIRJNRYYLLMV-HOTGVXAUSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000490413968 1070660756 /nfs/dbraw/zinc/66/07/56/1070660756.db2.gz XDIIRJNRYYLLMV-HZPDHXFCSA-N 2 1 421.546 -0.264 20 0 HBADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000490413969 1070660635 /nfs/dbraw/zinc/66/06/35/1070660635.db2.gz XDIIRJNRYYLLMV-JKSUJKDBSA-N 2 1 421.546 -0.264 20 0 HBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450998 1070665106 /nfs/dbraw/zinc/66/51/06/1070665106.db2.gz CGWJGSAIMYPKGM-INIZCTEOSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450998 1070665099 /nfs/dbraw/zinc/66/50/99/1070665099.db2.gz CGWJGSAIMYPKGM-INIZCTEOSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450999 1070664957 /nfs/dbraw/zinc/66/49/57/1070664957.db2.gz CGWJGSAIMYPKGM-MRXNPFEDSA-N 2 1 407.519 -0.702 20 0 HBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490450999 1070664952 /nfs/dbraw/zinc/66/49/52/1070664952.db2.gz CGWJGSAIMYPKGM-MRXNPFEDSA-N 2 1 407.519 -0.702 20 0 HBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490453226 1070662948 /nfs/dbraw/zinc/66/29/48/1070662948.db2.gz ITJIXAFRVRTZOQ-HNNXBMFYSA-N 2 1 407.519 -0.700 20 0 HBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490453227 1070662711 /nfs/dbraw/zinc/66/27/11/1070662711.db2.gz ITJIXAFRVRTZOQ-OAHLLOKOSA-N 2 1 407.519 -0.700 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000490455371 1070662620 /nfs/dbraw/zinc/66/26/20/1070662620.db2.gz UYTHPNDCDLKHGX-UHFFFAOYSA-N 2 1 405.503 -0.804 20 0 HBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490475107 1070666633 /nfs/dbraw/zinc/66/66/33/1070666633.db2.gz CBINJPFXTJVYOF-INIZCTEOSA-N 2 1 421.546 -0.264 20 0 HBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490475108 1070666419 /nfs/dbraw/zinc/66/64/19/1070666419.db2.gz CBINJPFXTJVYOF-MRXNPFEDSA-N 2 1 421.546 -0.264 20 0 HBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490502137 1070668778 /nfs/dbraw/zinc/66/87/78/1070668778.db2.gz FBLFMJUUXCEYAX-INIZCTEOSA-N 2 1 407.519 -0.510 20 0 HBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490502138 1070668888 /nfs/dbraw/zinc/66/88/88/1070668888.db2.gz FBLFMJUUXCEYAX-MRXNPFEDSA-N 2 1 407.519 -0.510 20 0 HBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490506686 1070669598 /nfs/dbraw/zinc/66/95/98/1070669598.db2.gz DDKRQNJAQDRWTP-UHFFFAOYSA-N 2 1 407.519 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000490512419 1070668062 /nfs/dbraw/zinc/66/80/62/1070668062.db2.gz LOKAAPFZKCHXNH-HNNXBMFYSA-N 2 1 419.530 -0.368 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000490512421 1070668037 /nfs/dbraw/zinc/66/80/37/1070668037.db2.gz LOKAAPFZKCHXNH-OAHLLOKOSA-N 2 1 419.530 -0.368 20 0 HBADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490514829 1070669483 /nfs/dbraw/zinc/66/94/83/1070669483.db2.gz WQDBTIWRUNTVBL-IYBDPMFKSA-N 2 1 421.546 -0.122 20 0 HBADMP C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993530 1070696554 /nfs/dbraw/zinc/69/65/54/1070696554.db2.gz FXDWNCPFECXNJS-CVEARBPZSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993530 1070696549 /nfs/dbraw/zinc/69/65/49/1070696549.db2.gz FXDWNCPFECXNJS-CVEARBPZSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993540 1070696518 /nfs/dbraw/zinc/69/65/18/1070696518.db2.gz FXDWNCPFECXNJS-HOTGVXAUSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993540 1070696515 /nfs/dbraw/zinc/69/65/15/1070696515.db2.gz FXDWNCPFECXNJS-HOTGVXAUSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993541 1070696417 /nfs/dbraw/zinc/69/64/17/1070696417.db2.gz FXDWNCPFECXNJS-HZPDHXFCSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993541 1070696413 /nfs/dbraw/zinc/69/64/13/1070696413.db2.gz FXDWNCPFECXNJS-HZPDHXFCSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993544 1070696619 /nfs/dbraw/zinc/69/66/19/1070696619.db2.gz FXDWNCPFECXNJS-JKSUJKDBSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993544 1070696617 /nfs/dbraw/zinc/69/66/17/1070696617.db2.gz FXDWNCPFECXNJS-JKSUJKDBSA-N 2 1 403.531 -0.609 20 0 HBADMP C[C@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490999981 1070696579 /nfs/dbraw/zinc/69/65/79/1070696579.db2.gz UONBVLODSYPYJG-DLBZAZTESA-N 2 1 417.558 -0.218 20 0 HBADMP C[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490999984 1070696472 /nfs/dbraw/zinc/69/64/72/1070696472.db2.gz UONBVLODSYPYJG-IAGOWNOFSA-N 2 1 417.558 -0.218 20 0 HBADMP C[C@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490999985 1070696602 /nfs/dbraw/zinc/69/66/02/1070696602.db2.gz UONBVLODSYPYJG-IRXDYDNUSA-N 2 1 417.558 -0.218 20 0 HBADMP C[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490999986 1070696497 /nfs/dbraw/zinc/69/64/97/1070696497.db2.gz UONBVLODSYPYJG-SJORKVTESA-N 2 1 417.558 -0.218 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000491458736 1071544362 /nfs/dbraw/zinc/54/43/62/1071544362.db2.gz NVZBQGICQSGFNO-DOTOQJQBSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000491458746 1071544415 /nfs/dbraw/zinc/54/44/15/1071544415.db2.gz NVZBQGICQSGFNO-NVXWUHKLSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000491458748 1071544460 /nfs/dbraw/zinc/54/44/60/1071544460.db2.gz NVZBQGICQSGFNO-RDJZCZTQSA-N 2 1 419.530 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000491458750 1071544271 /nfs/dbraw/zinc/54/42/71/1071544271.db2.gz NVZBQGICQSGFNO-WBVHZDCISA-N 2 1 419.530 -0.558 20 0 HBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000491472860 1071544195 /nfs/dbraw/zinc/54/41/95/1071544195.db2.gz YLHGFALVGJVBRU-DOTOQJQBSA-N 2 1 421.546 -0.169 20 0 HBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000491472861 1071544330 /nfs/dbraw/zinc/54/43/30/1071544330.db2.gz YLHGFALVGJVBRU-NVXWUHKLSA-N 2 1 421.546 -0.169 20 0 HBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000491472862 1071544443 /nfs/dbraw/zinc/54/44/43/1071544443.db2.gz YLHGFALVGJVBRU-RDJZCZTQSA-N 2 1 421.546 -0.169 20 0 HBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000491472863 1071544301 /nfs/dbraw/zinc/54/43/01/1071544301.db2.gz YLHGFALVGJVBRU-WBVHZDCISA-N 2 1 421.546 -0.169 20 0 HBADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557175 1069721910 /nfs/dbraw/zinc/72/19/10/1069721910.db2.gz JDGREKJPBJTTSX-IBGZPJMESA-N 2 1 418.542 -0.341 20 0 HBADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557175 1069721898 /nfs/dbraw/zinc/72/18/98/1069721898.db2.gz JDGREKJPBJTTSX-IBGZPJMESA-N 2 1 418.542 -0.341 20 0 HBADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557176 1069722183 /nfs/dbraw/zinc/72/21/83/1069722183.db2.gz JDGREKJPBJTTSX-LJQANCHMSA-N 2 1 418.542 -0.341 20 0 HBADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000494557176 1069722181 /nfs/dbraw/zinc/72/21/81/1069722181.db2.gz JDGREKJPBJTTSX-LJQANCHMSA-N 2 1 418.542 -0.341 20 0 HBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496267175 1071749352 /nfs/dbraw/zinc/74/93/52/1071749352.db2.gz POPJJZVLLWBTSD-UHFFFAOYSA-N 2 1 411.591 -0.055 20 0 HBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496267175 1071749348 /nfs/dbraw/zinc/74/93/48/1071749348.db2.gz POPJJZVLLWBTSD-UHFFFAOYSA-N 2 1 411.591 -0.055 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000496281175 1071749448 /nfs/dbraw/zinc/74/94/48/1071749448.db2.gz FKGDDSMAWDHJQF-MOPGFXCFSA-N 2 1 422.618 -0.387 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000496281186 1071749406 /nfs/dbraw/zinc/74/94/06/1071749406.db2.gz FKGDDSMAWDHJQF-OALUTQOASA-N 2 1 422.618 -0.387 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000496281187 1071749194 /nfs/dbraw/zinc/74/91/94/1071749194.db2.gz FKGDDSMAWDHJQF-RBUKOAKNSA-N 2 1 422.618 -0.387 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000496281188 1071749433 /nfs/dbraw/zinc/74/94/33/1071749433.db2.gz FKGDDSMAWDHJQF-RTBURBONSA-N 2 1 422.618 -0.387 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000496284766 1071749871 /nfs/dbraw/zinc/74/98/71/1071749871.db2.gz PDVPEOZNHCGMOU-GOSISDBHSA-N 2 1 422.618 -0.245 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000496284767 1071749982 /nfs/dbraw/zinc/74/99/82/1071749982.db2.gz PDVPEOZNHCGMOU-SFHVURJKSA-N 2 1 422.618 -0.245 20 0 HBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496327295 1071751292 /nfs/dbraw/zinc/75/12/92/1071751292.db2.gz LHYJZWMJHVJKGP-UHFFFAOYSA-N 2 1 422.618 -0.385 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496334564 1071751993 /nfs/dbraw/zinc/75/19/93/1071751993.db2.gz VVXMDEXVCXFCBF-UHFFFAOYSA-N 2 1 418.542 -0.119 20 0 HBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496335064 1071751873 /nfs/dbraw/zinc/75/18/73/1071751873.db2.gz ZDGHZCGNVONJQS-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496335064 1071751867 /nfs/dbraw/zinc/75/18/67/1071751867.db2.gz ZDGHZCGNVONJQS-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496335064 1071751864 /nfs/dbraw/zinc/75/18/64/1071751864.db2.gz ZDGHZCGNVONJQS-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496335065 1071752094 /nfs/dbraw/zinc/75/20/94/1071752094.db2.gz ZDGHZCGNVONJQS-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496335065 1071752087 /nfs/dbraw/zinc/75/20/87/1071752087.db2.gz ZDGHZCGNVONJQS-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496335065 1071752077 /nfs/dbraw/zinc/75/20/77/1071752077.db2.gz ZDGHZCGNVONJQS-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000496346712 1071752593 /nfs/dbraw/zinc/75/25/93/1071752593.db2.gz NHTYTOAWXDLJGP-UHFFFAOYSA-N 2 1 420.558 -0.220 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000496351909 1071751816 /nfs/dbraw/zinc/75/18/16/1071751816.db2.gz XWWCMZAMDRVYNU-GOSISDBHSA-N 2 1 409.575 -0.301 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000496351917 1071751893 /nfs/dbraw/zinc/75/18/93/1071751893.db2.gz XWWCMZAMDRVYNU-SFHVURJKSA-N 2 1 409.575 -0.301 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(C)C ZINC000496368122 1071752746 /nfs/dbraw/zinc/75/27/46/1071752746.db2.gz YOENWDQZOINSLA-UHFFFAOYSA-N 2 1 409.575 -0.301 20 0 HBADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375095 1071752649 /nfs/dbraw/zinc/75/26/49/1071752649.db2.gz GOCJXWSKGIPHNG-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375095 1071752647 /nfs/dbraw/zinc/75/26/47/1071752647.db2.gz GOCJXWSKGIPHNG-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375095 1071752643 /nfs/dbraw/zinc/75/26/43/1071752643.db2.gz GOCJXWSKGIPHNG-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375096 1071752549 /nfs/dbraw/zinc/75/25/49/1071752549.db2.gz GOCJXWSKGIPHNG-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375096 1071752541 /nfs/dbraw/zinc/75/25/41/1071752541.db2.gz GOCJXWSKGIPHNG-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375096 1071752536 /nfs/dbraw/zinc/75/25/36/1071752536.db2.gz GOCJXWSKGIPHNG-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496392335 1071753347 /nfs/dbraw/zinc/75/33/47/1071753347.db2.gz BVSGXXFAPIDXJC-IBGZPJMESA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496392335 1071753345 /nfs/dbraw/zinc/75/33/45/1071753345.db2.gz BVSGXXFAPIDXJC-IBGZPJMESA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1(C)C ZINC000496392335 1071753342 /nfs/dbraw/zinc/75/33/42/1071753342.db2.gz BVSGXXFAPIDXJC-IBGZPJMESA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496392336 1071753287 /nfs/dbraw/zinc/75/32/87/1071753287.db2.gz BVSGXXFAPIDXJC-LJQANCHMSA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496392336 1071753284 /nfs/dbraw/zinc/75/32/84/1071753284.db2.gz BVSGXXFAPIDXJC-LJQANCHMSA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1(C)C ZINC000496392336 1071753279 /nfs/dbraw/zinc/75/32/79/1071753279.db2.gz BVSGXXFAPIDXJC-LJQANCHMSA-N 2 1 422.618 -0.243 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496395553 1071753408 /nfs/dbraw/zinc/75/34/08/1071753408.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 1 410.607 -0.387 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496395553 1071753400 /nfs/dbraw/zinc/75/34/00/1071753400.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 1 410.607 -0.387 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496395553 1071753399 /nfs/dbraw/zinc/75/33/99/1071753399.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 1 410.607 -0.387 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496395553 1071753398 /nfs/dbraw/zinc/75/33/98/1071753398.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 1 410.607 -0.387 20 0 HBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496395553 1071753397 /nfs/dbraw/zinc/75/33/97/1071753397.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 1 410.607 -0.387 20 0 HBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000496396475 1071753367 /nfs/dbraw/zinc/75/33/67/1071753367.db2.gz SWZQJXWNXHHSPL-GOSISDBHSA-N 2 1 408.591 -0.633 20 0 HBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000496396480 1071753501 /nfs/dbraw/zinc/75/35/01/1071753501.db2.gz SWZQJXWNXHHSPL-SFHVURJKSA-N 2 1 408.591 -0.633 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496397537 1071753374 /nfs/dbraw/zinc/75/33/74/1071753374.db2.gz WYQYKYMYJLGZIB-UHFFFAOYSA-N 2 1 424.590 -0.859 20 0 HBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC000496397591 1071753385 /nfs/dbraw/zinc/75/33/85/1071753385.db2.gz XOSVOGHWRFPBJC-UHFFFAOYSA-N 2 1 418.542 -0.119 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(C)C ZINC000496411561 1071753955 /nfs/dbraw/zinc/75/39/55/1071753955.db2.gz MVKZDVBTGUQDPD-UHFFFAOYSA-N 2 1 409.575 -0.301 20 0 HBADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498426119 1071909459 /nfs/dbraw/zinc/90/94/59/1071909459.db2.gz PKDXAPALDSTVHT-UHFFFAOYSA-N 2 1 412.560 -0.067 20 0 HBADMP CC[NH+]1CCN([C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498513633 1071925729 /nfs/dbraw/zinc/92/57/29/1071925729.db2.gz BAFIQXNRFNTGKY-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498513634 1071925671 /nfs/dbraw/zinc/92/56/71/1071925671.db2.gz BAFIQXNRFNTGKY-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498513635 1070978259 /nfs/dbraw/zinc/97/82/59/1070978259.db2.gz BAFIQXNRFNTGKY-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP CC[NH+]1CCN([C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498513636 1070978324 /nfs/dbraw/zinc/97/83/24/1070978324.db2.gz BAFIQXNRFNTGKY-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000499058714 1072013228 /nfs/dbraw/zinc/01/32/28/1072013228.db2.gz XQHRHXWUEUNTMR-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000499058714 1072013219 /nfs/dbraw/zinc/01/32/19/1072013219.db2.gz XQHRHXWUEUNTMR-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000499058714 1072013207 /nfs/dbraw/zinc/01/32/07/1072013207.db2.gz XQHRHXWUEUNTMR-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000499058715 1072013416 /nfs/dbraw/zinc/01/34/16/1072013416.db2.gz XQHRHXWUEUNTMR-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000499058715 1072013408 /nfs/dbraw/zinc/01/34/08/1072013408.db2.gz XQHRHXWUEUNTMR-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000499058715 1072013400 /nfs/dbraw/zinc/01/34/00/1072013400.db2.gz XQHRHXWUEUNTMR-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000499058716 1072013598 /nfs/dbraw/zinc/01/35/98/1072013598.db2.gz XQHRHXWUEUNTMR-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000499058716 1072013578 /nfs/dbraw/zinc/01/35/78/1072013578.db2.gz XQHRHXWUEUNTMR-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000499058716 1072013564 /nfs/dbraw/zinc/01/35/64/1072013564.db2.gz XQHRHXWUEUNTMR-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000499058717 1072013328 /nfs/dbraw/zinc/01/33/28/1072013328.db2.gz XQHRHXWUEUNTMR-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000499058717 1072013319 /nfs/dbraw/zinc/01/33/19/1072013319.db2.gz XQHRHXWUEUNTMR-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000499058717 1072013312 /nfs/dbraw/zinc/01/33/12/1072013312.db2.gz XQHRHXWUEUNTMR-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP CC[N@@H+](CCCC1CC[NH+](CC(=O)N2CCNC2=O)CC1)CC(=O)N1CCNC1=O ZINC000499256675 1072033228 /nfs/dbraw/zinc/03/32/28/1072033228.db2.gz PMNNIGQCGDZOEW-UHFFFAOYSA-N 2 1 422.530 -0.096 20 0 HBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000500763906 1069342358 /nfs/dbraw/zinc/34/23/58/1069342358.db2.gz KQKCJCFGMOMOLL-UHFFFAOYSA-N 2 1 403.531 -0.295 20 0 HBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000500786143 1069345535 /nfs/dbraw/zinc/34/55/35/1069345535.db2.gz RPKNGJWOTMHUFO-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000501075244 1069550531 /nfs/dbraw/zinc/55/05/31/1069550531.db2.gz DUFAVQIEEITRAI-IBGZPJMESA-N 2 1 412.575 -0.382 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000501075246 1069550410 /nfs/dbraw/zinc/55/04/10/1069550410.db2.gz DUFAVQIEEITRAI-LJQANCHMSA-N 2 1 412.575 -0.382 20 0 HBADMP O=C(CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000501090225 1069550356 /nfs/dbraw/zinc/55/03/56/1069550356.db2.gz RVKCAZQKDFWFEO-UHFFFAOYSA-N 2 1 418.542 -0.326 20 0 HBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000501097114 1069551173 /nfs/dbraw/zinc/55/11/73/1069551173.db2.gz YQBHVSVJDIJVRB-UHFFFAOYSA-N 2 1 410.607 -0.385 20 0 HBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581059 1069568110 /nfs/dbraw/zinc/56/81/10/1069568110.db2.gz FADSHDXFVGQYQG-DLBZAZTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581059 1069568104 /nfs/dbraw/zinc/56/81/04/1069568104.db2.gz FADSHDXFVGQYQG-DLBZAZTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581060 1069568332 /nfs/dbraw/zinc/56/83/32/1069568332.db2.gz FADSHDXFVGQYQG-IAGOWNOFSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501581060 1069568326 /nfs/dbraw/zinc/56/83/26/1069568326.db2.gz FADSHDXFVGQYQG-IAGOWNOFSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581061 1069568165 /nfs/dbraw/zinc/56/81/65/1069568165.db2.gz FADSHDXFVGQYQG-IRXDYDNUSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581061 1069568155 /nfs/dbraw/zinc/56/81/55/1069568155.db2.gz FADSHDXFVGQYQG-IRXDYDNUSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581062 1069567994 /nfs/dbraw/zinc/56/79/94/1069567994.db2.gz FADSHDXFVGQYQG-SJORKVTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501581062 1069567990 /nfs/dbraw/zinc/56/79/90/1069567990.db2.gz FADSHDXFVGQYQG-SJORKVTESA-N 2 1 410.559 -0.093 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501593901 1069568721 /nfs/dbraw/zinc/56/87/21/1069568721.db2.gz ZDWYIUZCQGLPCV-KRWDZBQOSA-N 2 1 423.558 -0.774 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501593902 1069568818 /nfs/dbraw/zinc/56/88/18/1069568818.db2.gz ZDWYIUZCQGLPCV-QGZVFWFLSA-N 2 1 423.558 -0.774 20 0 HBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501601720 1069568197 /nfs/dbraw/zinc/56/81/97/1069568197.db2.gz WQVFQERSMPHXMS-MSOLQXFVSA-N 2 1 408.543 -0.216 20 0 HBADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501601727 1069568130 /nfs/dbraw/zinc/56/81/30/1069568130.db2.gz WQVFQERSMPHXMS-QZTJIDSGSA-N 2 1 408.543 -0.216 20 0 HBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501601728 1069568230 /nfs/dbraw/zinc/56/82/30/1069568230.db2.gz WQVFQERSMPHXMS-ROUUACIJSA-N 2 1 408.543 -0.216 20 0 HBADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501601729 1069568030 /nfs/dbraw/zinc/56/80/30/1069568030.db2.gz WQVFQERSMPHXMS-ZWKOTPCHSA-N 2 1 408.543 -0.216 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501636612 1069570354 /nfs/dbraw/zinc/57/03/54/1069570354.db2.gz IGBNTLBZBLEXJQ-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636612 1069570336 /nfs/dbraw/zinc/57/03/36/1069570336.db2.gz IGBNTLBZBLEXJQ-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501636613 1069570621 /nfs/dbraw/zinc/57/06/21/1069570621.db2.gz IGBNTLBZBLEXJQ-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636613 1069570611 /nfs/dbraw/zinc/57/06/11/1069570611.db2.gz IGBNTLBZBLEXJQ-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000501646971 1069571568 /nfs/dbraw/zinc/57/15/68/1069571568.db2.gz OWVKVBBROBSNQX-DLBZAZTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000501646971 1069571561 /nfs/dbraw/zinc/57/15/61/1069571561.db2.gz OWVKVBBROBSNQX-DLBZAZTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000501646974 1069571819 /nfs/dbraw/zinc/57/18/19/1069571819.db2.gz OWVKVBBROBSNQX-IAGOWNOFSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000501646974 1069571816 /nfs/dbraw/zinc/57/18/16/1069571816.db2.gz OWVKVBBROBSNQX-IAGOWNOFSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000501646977 1069571736 /nfs/dbraw/zinc/57/17/36/1069571736.db2.gz OWVKVBBROBSNQX-IRXDYDNUSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000501646977 1069571732 /nfs/dbraw/zinc/57/17/32/1069571732.db2.gz OWVKVBBROBSNQX-IRXDYDNUSA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000501646980 1069571712 /nfs/dbraw/zinc/57/17/12/1069571712.db2.gz OWVKVBBROBSNQX-SJORKVTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000501646980 1069571703 /nfs/dbraw/zinc/57/17/03/1069571703.db2.gz OWVKVBBROBSNQX-SJORKVTESA-N 2 1 410.559 -0.093 20 0 HBADMP C[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)CC3(C)C)CC2)C(C)(C)C1 ZINC000501772038 1069574339 /nfs/dbraw/zinc/57/43/39/1069574339.db2.gz UXANIPCXAJCBET-UHFFFAOYSA-N 2 1 422.618 -0.291 20 0 HBADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000501783816 1069574754 /nfs/dbraw/zinc/57/47/54/1069574754.db2.gz AGQIGAVPQXXZHD-UHFFFAOYSA-N 2 1 409.531 -0.081 20 0 HBADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000501783816 1069574752 /nfs/dbraw/zinc/57/47/52/1069574752.db2.gz AGQIGAVPQXXZHD-UHFFFAOYSA-N 2 1 409.531 -0.081 20 0 HBADMP COCC[N@@H+](C)CCCC1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000501783816 1069574747 /nfs/dbraw/zinc/57/47/47/1069574747.db2.gz AGQIGAVPQXXZHD-UHFFFAOYSA-N 2 1 409.531 -0.081 20 0 HBADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000503065533 1068881250 /nfs/dbraw/zinc/88/12/50/1068881250.db2.gz WKIBCFURGWERGN-UHFFFAOYSA-N 2 1 406.531 -0.484 20 0 HBADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000503065533 1068881241 /nfs/dbraw/zinc/88/12/41/1068881241.db2.gz WKIBCFURGWERGN-UHFFFAOYSA-N 2 1 406.531 -0.484 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503211206 1071249997 /nfs/dbraw/zinc/24/99/97/1071249997.db2.gz GDQQBFJRSAJWOM-UHFFFAOYSA-N 2 1 422.574 -0.073 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503319467 1069666924 /nfs/dbraw/zinc/66/69/24/1069666924.db2.gz OWOQSSIGZDPYAE-GOSISDBHSA-N 2 1 422.574 -0.121 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503319469 1069666988 /nfs/dbraw/zinc/66/69/88/1069666988.db2.gz OWOQSSIGZDPYAE-SFHVURJKSA-N 2 1 422.574 -0.121 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000503657967 1069683877 /nfs/dbraw/zinc/68/38/77/1069683877.db2.gz JAJAEUBIZFXIEE-HNNXBMFYSA-N 2 1 400.549 -0.427 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000503657968 1069683862 /nfs/dbraw/zinc/68/38/62/1069683862.db2.gz JAJAEUBIZFXIEE-OAHLLOKOSA-N 2 1 400.549 -0.427 20 0 HBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504513177 1069721702 /nfs/dbraw/zinc/72/17/02/1069721702.db2.gz RJSFLCIIUSFJLW-FQEVSTJZSA-N 2 1 405.499 -0.559 20 0 HBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504513178 1069721962 /nfs/dbraw/zinc/72/19/62/1069721962.db2.gz RJSFLCIIUSFJLW-HXUWFJFHSA-N 2 1 405.499 -0.559 20 0 HBADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504540036 1069724055 /nfs/dbraw/zinc/72/40/55/1069724055.db2.gz GIDGNTKZZGEBKS-NRFANRHFSA-N 2 1 421.542 -0.320 20 0 HBADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504540037 1069724195 /nfs/dbraw/zinc/72/41/95/1069724195.db2.gz GIDGNTKZZGEBKS-OAQYLSRUSA-N 2 1 421.542 -0.320 20 0 HBADMP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000504568666 1069727118 /nfs/dbraw/zinc/72/71/18/1069727118.db2.gz SGWOGVNRJDZWRJ-NRFANRHFSA-N 2 1 419.526 -0.630 20 0 HBADMP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000504568667 1069727291 /nfs/dbraw/zinc/72/72/91/1069727291.db2.gz SGWOGVNRJDZWRJ-OAQYLSRUSA-N 2 1 419.526 -0.630 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505732225 1069946865 /nfs/dbraw/zinc/94/68/65/1069946865.db2.gz VEVHGUVAKSJCRX-HNNXBMFYSA-N 2 1 419.530 -0.692 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505732226 1069946772 /nfs/dbraw/zinc/94/67/72/1069946772.db2.gz VEVHGUVAKSJCRX-OAHLLOKOSA-N 2 1 419.530 -0.692 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000505748836 1069954838 /nfs/dbraw/zinc/95/48/38/1069954838.db2.gz BWBWNVZESFJEOX-HNNXBMFYSA-N 2 1 400.549 -0.427 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000505748837 1069954614 /nfs/dbraw/zinc/95/46/14/1069954614.db2.gz BWBWNVZESFJEOX-OAHLLOKOSA-N 2 1 400.549 -0.427 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000505756003 1069956399 /nfs/dbraw/zinc/95/63/99/1069956399.db2.gz XADLYJPWSXVUCP-HNNXBMFYSA-N 2 1 419.530 -0.692 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000505756004 1069956331 /nfs/dbraw/zinc/95/63/31/1069956331.db2.gz XADLYJPWSXVUCP-OAHLLOKOSA-N 2 1 419.530 -0.692 20 0 HBADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000507357163 1070475101 /nfs/dbraw/zinc/47/51/01/1070475101.db2.gz IMBFOLWFMUPVRP-IBGZPJMESA-N 2 1 403.527 -0.020 20 0 HBADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000507357164 1070475123 /nfs/dbraw/zinc/47/51/23/1070475123.db2.gz IMBFOLWFMUPVRP-LJQANCHMSA-N 2 1 403.527 -0.020 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442584 1070489343 /nfs/dbraw/zinc/48/93/43/1070489343.db2.gz RVMJCWMAOVQTAG-IBGZPJMESA-N 2 1 411.591 -0.151 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442586 1070489470 /nfs/dbraw/zinc/48/94/70/1070489470.db2.gz RVMJCWMAOVQTAG-LJQANCHMSA-N 2 1 411.591 -0.151 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000507686787 1070519995 /nfs/dbraw/zinc/51/99/95/1070519995.db2.gz IGKIXWNCEOZACZ-IBGZPJMESA-N 2 1 411.591 -0.055 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000507686788 1070519892 /nfs/dbraw/zinc/51/98/92/1070519892.db2.gz IGKIXWNCEOZACZ-LJQANCHMSA-N 2 1 411.591 -0.055 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507856494 1070724761 /nfs/dbraw/zinc/72/47/61/1070724761.db2.gz WCKAVUJNSNJISR-FBVQUNGASA-N 2 1 405.543 -0.117 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000507856494 1070724746 /nfs/dbraw/zinc/72/47/46/1070724746.db2.gz WCKAVUJNSNJISR-FBVQUNGASA-N 2 1 405.543 -0.117 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507856500 1070724829 /nfs/dbraw/zinc/72/48/29/1070724829.db2.gz WCKAVUJNSNJISR-HQSKLWIPSA-N 2 1 405.543 -0.117 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000507856500 1070724817 /nfs/dbraw/zinc/72/48/17/1070724817.db2.gz WCKAVUJNSNJISR-HQSKLWIPSA-N 2 1 405.543 -0.117 20 0 HBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000508716539 1069317242 /nfs/dbraw/zinc/31/72/42/1069317242.db2.gz ZALBHWWCCLZVFY-KRWDZBQOSA-N 2 1 404.515 -0.147 20 0 HBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000508716539 1069317224 /nfs/dbraw/zinc/31/72/24/1069317224.db2.gz ZALBHWWCCLZVFY-KRWDZBQOSA-N 2 1 404.515 -0.147 20 0 HBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000508716541 1069317579 /nfs/dbraw/zinc/31/75/79/1069317579.db2.gz ZALBHWWCCLZVFY-QGZVFWFLSA-N 2 1 404.515 -0.147 20 0 HBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000508716541 1069317560 /nfs/dbraw/zinc/31/75/60/1069317560.db2.gz ZALBHWWCCLZVFY-QGZVFWFLSA-N 2 1 404.515 -0.147 20 0 HBADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000508723986 1069318626 /nfs/dbraw/zinc/31/86/26/1069318626.db2.gz ZOBJWGHVPBXLMS-UHFFFAOYSA-N 2 1 404.515 -0.145 20 0 HBADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[NH+](C)C[C@@H]2C)CC1 ZINC000509500663 1071846183 /nfs/dbraw/zinc/84/61/83/1071846183.db2.gz APTUTHCWJYBGOJ-FGYAAKKASA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[NH+](C)C[C@@H]2C)CC1 ZINC000509500663 1071846177 /nfs/dbraw/zinc/84/61/77/1071846177.db2.gz APTUTHCWJYBGOJ-FGYAAKKASA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000509500663 1071846170 /nfs/dbraw/zinc/84/61/70/1071846170.db2.gz APTUTHCWJYBGOJ-FGYAAKKASA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000509500664 1071846249 /nfs/dbraw/zinc/84/62/49/1071846249.db2.gz APTUTHCWJYBGOJ-IYWMVGAKSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000509500664 1071846237 /nfs/dbraw/zinc/84/62/37/1071846237.db2.gz APTUTHCWJYBGOJ-IYWMVGAKSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000509500664 1071846228 /nfs/dbraw/zinc/84/62/28/1071846228.db2.gz APTUTHCWJYBGOJ-IYWMVGAKSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[NH+](C)C[C@@H]2C)CC1 ZINC000509500665 1071846090 /nfs/dbraw/zinc/84/60/90/1071846090.db2.gz APTUTHCWJYBGOJ-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[NH+](C)C[C@@H]2C)CC1 ZINC000509500665 1071846082 /nfs/dbraw/zinc/84/60/82/1071846082.db2.gz APTUTHCWJYBGOJ-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000509500665 1071846075 /nfs/dbraw/zinc/84/60/75/1071846075.db2.gz APTUTHCWJYBGOJ-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@H](C)[NH+](C)C[C@@H]3C)CC2)[C@@H](C)C[N@@H+]1C ZINC000509500666 1071846009 /nfs/dbraw/zinc/84/60/09/1071846009.db2.gz APTUTHCWJYBGOJ-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@H](C)[NH+](C)C[C@@H]3C)CC2)[C@@H](C)C[N@H+]1C ZINC000509500666 1071845999 /nfs/dbraw/zinc/84/59/99/1071845999.db2.gz APTUTHCWJYBGOJ-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)[C@@H](C)C[NH+]1C ZINC000509500666 1071845989 /nfs/dbraw/zinc/84/59/89/1071845989.db2.gz APTUTHCWJYBGOJ-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000509704796 1071225794 /nfs/dbraw/zinc/22/57/94/1071225794.db2.gz BALLFJYETGIUTI-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000509704796 1071225789 /nfs/dbraw/zinc/22/57/89/1071225789.db2.gz BALLFJYETGIUTI-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000509704796 1071225782 /nfs/dbraw/zinc/22/57/82/1071225782.db2.gz BALLFJYETGIUTI-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000509714316 1071226375 /nfs/dbraw/zinc/22/63/75/1071226375.db2.gz MDQPKAPFILJWOV-UHFFFAOYSA-N 2 1 411.591 -0.053 20 0 HBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000509720342 1071224728 /nfs/dbraw/zinc/22/47/28/1071224728.db2.gz JIUHDKPVZTZTEZ-UHFFFAOYSA-N 2 1 411.547 -0.917 20 0 HBADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000509720342 1071224710 /nfs/dbraw/zinc/22/47/10/1071224710.db2.gz JIUHDKPVZTZTEZ-UHFFFAOYSA-N 2 1 411.547 -0.917 20 0 HBADMP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000510365433 1068462869 /nfs/dbraw/zinc/46/28/69/1068462869.db2.gz YEXMERUIPTUZPZ-KRWDZBQOSA-N 2 1 403.531 -0.485 20 0 HBADMP C[NH+](C)CCN1C[C@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000510365442 1068463108 /nfs/dbraw/zinc/46/31/08/1068463108.db2.gz YEXMERUIPTUZPZ-QGZVFWFLSA-N 2 1 403.531 -0.485 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000510798857 1068572076 /nfs/dbraw/zinc/57/20/76/1068572076.db2.gz QJIFINUYPXXANK-BRWVUGGUSA-N 2 1 404.577 -0.091 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000510798862 1068572105 /nfs/dbraw/zinc/57/21/05/1068572105.db2.gz QJIFINUYPXXANK-IKGGRYGDSA-N 2 1 404.577 -0.091 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000510798863 1068571820 /nfs/dbraw/zinc/57/18/20/1068571820.db2.gz QJIFINUYPXXANK-IXDOHACOSA-N 2 1 404.577 -0.091 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000510798864 1068571900 /nfs/dbraw/zinc/57/19/00/1068571900.db2.gz QJIFINUYPXXANK-ZACQAIPSSA-N 2 1 404.577 -0.091 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000510909981 1068580346 /nfs/dbraw/zinc/58/03/46/1068580346.db2.gz CWEYMBQYTLEFJU-AYHJJNSGSA-N 2 1 422.574 -0.125 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000510909981 1068580328 /nfs/dbraw/zinc/58/03/28/1068580328.db2.gz CWEYMBQYTLEFJU-AYHJJNSGSA-N 2 1 422.574 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000511489076 1068995204 /nfs/dbraw/zinc/99/52/04/1068995204.db2.gz HBFMMMRZIPGCTI-UHFFFAOYSA-N 2 1 405.499 -0.108 20 0 HBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](CC)C[C@H]3C)CC2)[C@@H](C)C1 ZINC000511611688 1069099280 /nfs/dbraw/zinc/09/92/80/1069099280.db2.gz SGRSHYZUGKOUKE-BGYRXZFFSA-N 2 1 422.618 -0.291 20 0 HBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](CC)C[C@H]3C)CC2)[C@@H](C)C1 ZINC000511611688 1069099274 /nfs/dbraw/zinc/09/92/74/1069099274.db2.gz SGRSHYZUGKOUKE-BGYRXZFFSA-N 2 1 422.618 -0.291 20 0 HBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](CC)C[C@@H]3C)CC2)[C@H](C)C1 ZINC000511611688 1069099268 /nfs/dbraw/zinc/09/92/68/1069099268.db2.gz SGRSHYZUGKOUKE-BGYRXZFFSA-N 2 1 422.618 -0.291 20 0 HBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](CC)C[C@@H]3C)CC2)[C@@H](C)C1 ZINC000511611692 1069099355 /nfs/dbraw/zinc/09/93/55/1069099355.db2.gz SGRSHYZUGKOUKE-PMACEKPBSA-N 2 1 422.618 -0.291 20 0 HBADMP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](CC)C[C@H]3C)CC2)[C@H](C)C1 ZINC000511611694 1069099597 /nfs/dbraw/zinc/09/95/97/1069099597.db2.gz SGRSHYZUGKOUKE-WOJBJXKFSA-N 2 1 422.618 -0.291 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511940172 1069234566 /nfs/dbraw/zinc/23/45/66/1069234566.db2.gz PMQHXKFLFNUUNF-ABHNRTSZSA-N 2 1 405.543 -0.116 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511940173 1069234493 /nfs/dbraw/zinc/23/44/93/1069234493.db2.gz PMQHXKFLFNUUNF-DAWZGUTISA-N 2 1 405.543 -0.116 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000512320953 1069304079 /nfs/dbraw/zinc/30/40/79/1069304079.db2.gz HJAFEJHEXNCQCB-HNNXBMFYSA-N 2 1 400.549 -0.205 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000512320966 1069304016 /nfs/dbraw/zinc/30/40/16/1069304016.db2.gz HJAFEJHEXNCQCB-OAHLLOKOSA-N 2 1 400.549 -0.205 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000512361735 1069313416 /nfs/dbraw/zinc/31/34/16/1069313416.db2.gz DFRXMRAHYQIVHH-INIZCTEOSA-N 2 1 414.576 -0.119 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000512361736 1069313375 /nfs/dbraw/zinc/31/33/75/1069313375.db2.gz DFRXMRAHYQIVHH-MRXNPFEDSA-N 2 1 414.576 -0.119 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512814319 1069424625 /nfs/dbraw/zinc/42/46/25/1069424625.db2.gz MCAURBJJHGNGAK-UHFFFAOYSA-N 2 1 424.590 -0.674 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512833090 1069426066 /nfs/dbraw/zinc/42/60/66/1069426066.db2.gz KDFAJUIJXUQXPL-MOPGFXCFSA-N 2 1 404.559 -0.180 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512833094 1069426047 /nfs/dbraw/zinc/42/60/47/1069426047.db2.gz KDFAJUIJXUQXPL-OALUTQOASA-N 2 1 404.559 -0.180 20 0 HBADMP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc2=O)C[C@H](C)[NH+]1C ZINC000513055461 1069456344 /nfs/dbraw/zinc/45/63/44/1069456344.db2.gz AAOLOTWAIPJGMY-WNKDZCFJSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc2=O)C[C@H](C)[NH+]1C ZINC000513055461 1069456336 /nfs/dbraw/zinc/45/63/36/1069456336.db2.gz AAOLOTWAIPJGMY-WNKDZCFJSA-N 2 1 418.542 -0.041 20 0 HBADMP C[C@@H]1CN(C(=O)c2ccc(=O)n(CC(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000513055461 1069456333 /nfs/dbraw/zinc/45/63/33/1069456333.db2.gz AAOLOTWAIPJGMY-WNKDZCFJSA-N 2 1 418.542 -0.041 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000513136674 1069479325 /nfs/dbraw/zinc/47/93/25/1069479325.db2.gz ZPKGQQSEIBPFKB-FQEVSTJZSA-N 2 1 421.586 -0.060 20 0 HBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000513136675 1069479277 /nfs/dbraw/zinc/47/92/77/1069479277.db2.gz ZPKGQQSEIBPFKB-HXUWFJFHSA-N 2 1 421.586 -0.060 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000514308224 1069811840 /nfs/dbraw/zinc/81/18/40/1069811840.db2.gz QAJGWCMKZWCPOD-KRWDZBQOSA-N 2 1 407.559 -0.155 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000514308224 1069811824 /nfs/dbraw/zinc/81/18/24/1069811824.db2.gz QAJGWCMKZWCPOD-KRWDZBQOSA-N 2 1 407.559 -0.155 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000514308230 1069811655 /nfs/dbraw/zinc/81/16/55/1069811655.db2.gz QAJGWCMKZWCPOD-QGZVFWFLSA-N 2 1 407.559 -0.155 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000514308230 1069811631 /nfs/dbraw/zinc/81/16/31/1069811631.db2.gz QAJGWCMKZWCPOD-QGZVFWFLSA-N 2 1 407.559 -0.155 20 0 HBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323201 1069817464 /nfs/dbraw/zinc/81/74/64/1069817464.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323201 1069817444 /nfs/dbraw/zinc/81/74/44/1069817444.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323201 1069817420 /nfs/dbraw/zinc/81/74/20/1069817420.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323202 1069817126 /nfs/dbraw/zinc/81/71/26/1069817126.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323202 1069817103 /nfs/dbraw/zinc/81/71/03/1069817103.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323202 1069817080 /nfs/dbraw/zinc/81/70/80/1069817080.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323203 1069818095 /nfs/dbraw/zinc/81/80/95/1069818095.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323203 1069818075 /nfs/dbraw/zinc/81/80/75/1069818075.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323203 1069818065 /nfs/dbraw/zinc/81/80/65/1069818065.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323204 1069817811 /nfs/dbraw/zinc/81/78/11/1069817811.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000514323204 1069817790 /nfs/dbraw/zinc/81/77/90/1069817790.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323204 1069817760 /nfs/dbraw/zinc/81/77/60/1069817760.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 2 1 409.575 -0.422 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000514592397 1069868747 /nfs/dbraw/zinc/86/87/47/1069868747.db2.gz FLBBUPOZZZROGM-MSOLQXFVSA-N 2 1 423.558 -0.739 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000514592410 1069868339 /nfs/dbraw/zinc/86/83/39/1069868339.db2.gz FLBBUPOZZZROGM-QZTJIDSGSA-N 2 1 423.558 -0.739 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000514877756 1069904847 /nfs/dbraw/zinc/90/48/47/1069904847.db2.gz PZXIYDNLJBTCOF-AZUAARDMSA-N 2 1 423.602 -0.008 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000514877758 1069904931 /nfs/dbraw/zinc/90/49/31/1069904931.db2.gz PZXIYDNLJBTCOF-ICSRJNTNSA-N 2 1 423.602 -0.008 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000514877759 1069905115 /nfs/dbraw/zinc/90/51/15/1069905115.db2.gz PZXIYDNLJBTCOF-QUCCMNQESA-N 2 1 423.602 -0.008 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000514877761 1069905129 /nfs/dbraw/zinc/90/51/29/1069905129.db2.gz PZXIYDNLJBTCOF-UYAOXDASSA-N 2 1 423.602 -0.008 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000514927643 1069910132 /nfs/dbraw/zinc/91/01/32/1069910132.db2.gz KFZVWCBOLRCVBB-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000514927643 1069910123 /nfs/dbraw/zinc/91/01/23/1069910123.db2.gz KFZVWCBOLRCVBB-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000514927643 1069910112 /nfs/dbraw/zinc/91/01/12/1069910112.db2.gz KFZVWCBOLRCVBB-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000514927649 1069910206 /nfs/dbraw/zinc/91/02/06/1069910206.db2.gz KFZVWCBOLRCVBB-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000514927649 1069910194 /nfs/dbraw/zinc/91/01/94/1069910194.db2.gz KFZVWCBOLRCVBB-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000514927649 1069910184 /nfs/dbraw/zinc/91/01/84/1069910184.db2.gz KFZVWCBOLRCVBB-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000514927650 1069910317 /nfs/dbraw/zinc/91/03/17/1069910317.db2.gz KFZVWCBOLRCVBB-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000514927650 1069910306 /nfs/dbraw/zinc/91/03/06/1069910306.db2.gz KFZVWCBOLRCVBB-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000514927650 1069910290 /nfs/dbraw/zinc/91/02/90/1069910290.db2.gz KFZVWCBOLRCVBB-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000514927652 1069910621 /nfs/dbraw/zinc/91/06/21/1069910621.db2.gz KFZVWCBOLRCVBB-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000514927652 1069910612 /nfs/dbraw/zinc/91/06/12/1069910612.db2.gz KFZVWCBOLRCVBB-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000514927652 1069910598 /nfs/dbraw/zinc/91/05/98/1069910598.db2.gz KFZVWCBOLRCVBB-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000516021809 1069992274 /nfs/dbraw/zinc/99/22/74/1069992274.db2.gz SZGTVXAEUFXZQS-UHFFFAOYSA-N 2 1 405.499 -0.024 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1C ZINC000516202865 1070004826 /nfs/dbraw/zinc/00/48/26/1070004826.db2.gz QKUSQAGFCQRUDJ-SJPCQFCGSA-N 2 1 417.558 -0.128 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1C ZINC000516202865 1070004808 /nfs/dbraw/zinc/00/48/08/1070004808.db2.gz QKUSQAGFCQRUDJ-SJPCQFCGSA-N 2 1 417.558 -0.128 20 0 HBADMP Cn1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000516207604 1070005537 /nfs/dbraw/zinc/00/55/37/1070005537.db2.gz CIROOVHGDSZEHG-UHFFFAOYSA-N 2 1 411.466 -0.025 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339144 1070013312 /nfs/dbraw/zinc/01/33/12/1070013312.db2.gz JQJJKIKNXSVFGO-MSOLQXFVSA-N 2 1 409.575 -0.377 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339145 1070013663 /nfs/dbraw/zinc/01/36/63/1070013663.db2.gz JQJJKIKNXSVFGO-QZTJIDSGSA-N 2 1 409.575 -0.377 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339146 1070013847 /nfs/dbraw/zinc/01/38/47/1070013847.db2.gz JQJJKIKNXSVFGO-ROUUACIJSA-N 2 1 409.575 -0.377 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339147 1070013439 /nfs/dbraw/zinc/01/34/39/1070013439.db2.gz JQJJKIKNXSVFGO-ZWKOTPCHSA-N 2 1 409.575 -0.377 20 0 HBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808319 1070055930 /nfs/dbraw/zinc/05/59/30/1070055930.db2.gz OTELRDVGMXBPSW-INIZCTEOSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808319 1070055920 /nfs/dbraw/zinc/05/59/20/1070055920.db2.gz OTELRDVGMXBPSW-INIZCTEOSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808320 1070056084 /nfs/dbraw/zinc/05/60/84/1070056084.db2.gz OTELRDVGMXBPSW-MRXNPFEDSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000516808320 1070056069 /nfs/dbraw/zinc/05/60/69/1070056069.db2.gz OTELRDVGMXBPSW-MRXNPFEDSA-N 2 1 421.542 -0.058 20 0 HBADMP C[NH+]1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)N4C[C@H]5C[N@@H+](C)C[C@H]5C4)c[nH]3)C[C@H]2C1 ZINC000516860344 1070058996 /nfs/dbraw/zinc/05/89/96/1070058996.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 2 1 407.540 -0.170 20 0 HBADMP C[NH+]1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)N4C[C@H]5C[N@H+](C)C[C@H]5C4)c[nH]3)C[C@H]2C1 ZINC000516860344 1070058979 /nfs/dbraw/zinc/05/89/79/1070058979.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 2 1 407.540 -0.170 20 0 HBADMP C[NH+]1C[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)c3)C[C@@H]2C1 ZINC000516860344 1070058966 /nfs/dbraw/zinc/05/89/66/1070058966.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 2 1 407.540 -0.170 20 0 HBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccn1 ZINC000516890291 1070061329 /nfs/dbraw/zinc/06/13/29/1070061329.db2.gz WDTBQWSRUWIYKH-UHFFFAOYSA-N 2 1 407.515 -0.447 20 0 HBADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000517046164 1070069749 /nfs/dbraw/zinc/06/97/49/1070069749.db2.gz SBYJOYGQBWRVSV-UHFFFAOYSA-N 2 1 407.559 -0.153 20 0 HBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000517127759 1070074112 /nfs/dbraw/zinc/07/41/12/1070074112.db2.gz ZWRWDHDDXCUEJW-UHFFFAOYSA-N 2 1 405.499 -0.154 20 0 HBADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000517243389 1070083951 /nfs/dbraw/zinc/08/39/51/1070083951.db2.gz LKPKUJUBSYSJTH-KRWDZBQOSA-N 2 1 403.531 -0.343 20 0 HBADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000517243390 1070083928 /nfs/dbraw/zinc/08/39/28/1070083928.db2.gz LKPKUJUBSYSJTH-QGZVFWFLSA-N 2 1 403.531 -0.343 20 0 HBADMP Cn1cnc2c1c(=O)n(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c(=O)n2C ZINC000517652557 1070122508 /nfs/dbraw/zinc/12/25/08/1070122508.db2.gz GHNBLYSRFIZHRN-UHFFFAOYSA-N 2 1 412.454 -0.781 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652596 1070122425 /nfs/dbraw/zinc/12/24/25/1070122425.db2.gz LDBQFKWQWXFICM-CABCVRRESA-N 2 1 421.523 -0.193 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652597 1070122280 /nfs/dbraw/zinc/12/22/80/1070122280.db2.gz LDBQFKWQWXFICM-GJZGRUSLSA-N 2 1 421.523 -0.193 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652598 1070122477 /nfs/dbraw/zinc/12/24/77/1070122477.db2.gz LDBQFKWQWXFICM-HUUCEWRRSA-N 2 1 421.523 -0.193 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000517652599 1070122404 /nfs/dbraw/zinc/12/24/04/1070122404.db2.gz LDBQFKWQWXFICM-LSDHHAIUSA-N 2 1 421.523 -0.193 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679077 1070128709 /nfs/dbraw/zinc/12/87/09/1070128709.db2.gz YULZZDKHRHMFPG-DLBZAZTESA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679077 1070128705 /nfs/dbraw/zinc/12/87/05/1070128705.db2.gz YULZZDKHRHMFPG-DLBZAZTESA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679078 1070128473 /nfs/dbraw/zinc/12/84/73/1070128473.db2.gz YULZZDKHRHMFPG-IAGOWNOFSA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517679078 1070128464 /nfs/dbraw/zinc/12/84/64/1070128464.db2.gz YULZZDKHRHMFPG-IAGOWNOFSA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679111 1070128505 /nfs/dbraw/zinc/12/85/05/1070128505.db2.gz YULZZDKHRHMFPG-IRXDYDNUSA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679111 1070128500 /nfs/dbraw/zinc/12/85/00/1070128500.db2.gz YULZZDKHRHMFPG-IRXDYDNUSA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679113 1070128648 /nfs/dbraw/zinc/12/86/48/1070128648.db2.gz YULZZDKHRHMFPG-SJORKVTESA-N 2 1 409.531 -0.844 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517679113 1070128644 /nfs/dbraw/zinc/12/86/44/1070128644.db2.gz YULZZDKHRHMFPG-SJORKVTESA-N 2 1 409.531 -0.844 20 0 HBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000518085404 1070180864 /nfs/dbraw/zinc/18/08/64/1070180864.db2.gz QORFTRDUWQCDSB-UHFFFAOYSA-N 2 1 405.499 -0.154 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000518334142 1070220383 /nfs/dbraw/zinc/22/03/83/1070220383.db2.gz GQYRWEQOAMFHIF-KRWDZBQOSA-N 2 1 410.563 -0.219 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000518334142 1070220375 /nfs/dbraw/zinc/22/03/75/1070220375.db2.gz GQYRWEQOAMFHIF-KRWDZBQOSA-N 2 1 410.563 -0.219 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000518334143 1070220241 /nfs/dbraw/zinc/22/02/41/1070220241.db2.gz GQYRWEQOAMFHIF-QGZVFWFLSA-N 2 1 410.563 -0.219 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000518334143 1070220236 /nfs/dbraw/zinc/22/02/36/1070220236.db2.gz GQYRWEQOAMFHIF-QGZVFWFLSA-N 2 1 410.563 -0.219 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518612982 1070260632 /nfs/dbraw/zinc/26/06/32/1070260632.db2.gz OPQLJULHHCADSW-KRWDZBQOSA-N 2 1 418.546 -0.372 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518612982 1070260623 /nfs/dbraw/zinc/26/06/23/1070260623.db2.gz OPQLJULHHCADSW-KRWDZBQOSA-N 2 1 418.546 -0.372 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518612983 1070261246 /nfs/dbraw/zinc/26/12/46/1070261246.db2.gz OPQLJULHHCADSW-QGZVFWFLSA-N 2 1 418.546 -0.372 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518612983 1070261231 /nfs/dbraw/zinc/26/12/31/1070261231.db2.gz OPQLJULHHCADSW-QGZVFWFLSA-N 2 1 418.546 -0.372 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000519109272 1070319534 /nfs/dbraw/zinc/31/95/34/1070319534.db2.gz GQFLWBAJCGQVFU-KRWDZBQOSA-N 2 1 416.526 -0.047 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000519109273 1070319345 /nfs/dbraw/zinc/31/93/45/1070319345.db2.gz GQFLWBAJCGQVFU-QGZVFWFLSA-N 2 1 416.526 -0.047 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000519369190 1070351711 /nfs/dbraw/zinc/35/17/11/1070351711.db2.gz CAIBNSVQHZSWCB-KDURUIRLSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000519369190 1070351693 /nfs/dbraw/zinc/35/16/93/1070351693.db2.gz CAIBNSVQHZSWCB-KDURUIRLSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000519369190 1070351675 /nfs/dbraw/zinc/35/16/75/1070351675.db2.gz CAIBNSVQHZSWCB-KDURUIRLSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000519369191 1070351397 /nfs/dbraw/zinc/35/13/97/1070351397.db2.gz CAIBNSVQHZSWCB-OALUTQOASA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000519369192 1070351244 /nfs/dbraw/zinc/35/12/44/1070351244.db2.gz CAIBNSVQHZSWCB-RTBURBONSA-N 2 1 419.526 -0.017 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341265 1070598583 /nfs/dbraw/zinc/59/85/83/1070598583.db2.gz ZMDNIZRSSWZSBO-MSOLQXFVSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341265 1070598569 /nfs/dbraw/zinc/59/85/69/1070598569.db2.gz ZMDNIZRSSWZSBO-MSOLQXFVSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341266 1070598692 /nfs/dbraw/zinc/59/86/92/1070598692.db2.gz ZMDNIZRSSWZSBO-QZTJIDSGSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341266 1070598680 /nfs/dbraw/zinc/59/86/80/1070598680.db2.gz ZMDNIZRSSWZSBO-QZTJIDSGSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341267 1070598881 /nfs/dbraw/zinc/59/88/81/1070598881.db2.gz ZMDNIZRSSWZSBO-ROUUACIJSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520341267 1070598872 /nfs/dbraw/zinc/59/88/72/1070598872.db2.gz ZMDNIZRSSWZSBO-ROUUACIJSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341268 1070598508 /nfs/dbraw/zinc/59/85/08/1070598508.db2.gz ZMDNIZRSSWZSBO-ZWKOTPCHSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520341268 1070598497 /nfs/dbraw/zinc/59/84/97/1070598497.db2.gz ZMDNIZRSSWZSBO-ZWKOTPCHSA-N 2 1 423.558 -0.597 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000520551589 1070674605 /nfs/dbraw/zinc/67/46/05/1070674605.db2.gz IRTFWFZZURSUPL-KRWDZBQOSA-N 2 1 408.547 -0.477 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000520551590 1070675421 /nfs/dbraw/zinc/67/54/21/1070675421.db2.gz IRTFWFZZURSUPL-QGZVFWFLSA-N 2 1 408.547 -0.477 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccn2)CC1 ZINC000520774348 1070716952 /nfs/dbraw/zinc/71/69/52/1070716952.db2.gz ZNUFBWOLZMDNOV-KRWDZBQOSA-N 2 1 403.531 -0.028 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000520774349 1070717266 /nfs/dbraw/zinc/71/72/66/1070717266.db2.gz ZNUFBWOLZMDNOV-QGZVFWFLSA-N 2 1 403.531 -0.028 20 0 HBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000521674123 1070947683 /nfs/dbraw/zinc/94/76/83/1070947683.db2.gz CKHAGMTVRNUTCO-BHIYHBOVSA-N 2 1 408.543 -0.339 20 0 HBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000521674124 1070947731 /nfs/dbraw/zinc/94/77/31/1070947731.db2.gz CKHAGMTVRNUTCO-QRQLOZEOSA-N 2 1 408.543 -0.339 20 0 HBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000521674125 1070947625 /nfs/dbraw/zinc/94/76/25/1070947625.db2.gz CKHAGMTVRNUTCO-QXAKKESOSA-N 2 1 408.543 -0.339 20 0 HBADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000521674126 1070948359 /nfs/dbraw/zinc/94/83/59/1070948359.db2.gz CKHAGMTVRNUTCO-UHOSZYNNSA-N 2 1 408.543 -0.339 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)n2)C1 ZINC000521681766 1070945328 /nfs/dbraw/zinc/94/53/28/1070945328.db2.gz AARIBMUYBCRSJZ-CALCHBBNSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)n2)C1 ZINC000521681766 1070945319 /nfs/dbraw/zinc/94/53/19/1070945319.db2.gz AARIBMUYBCRSJZ-CALCHBBNSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)n2)C1 ZINC000521681766 1070945311 /nfs/dbraw/zinc/94/53/11/1070945311.db2.gz AARIBMUYBCRSJZ-CALCHBBNSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)n2)C1 ZINC000521681774 1070945476 /nfs/dbraw/zinc/94/54/76/1070945476.db2.gz AARIBMUYBCRSJZ-IAGOWNOFSA-N 2 1 419.526 -0.017 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)n2)C1 ZINC000521681777 1070945530 /nfs/dbraw/zinc/94/55/30/1070945530.db2.gz AARIBMUYBCRSJZ-IRXDYDNUSA-N 2 1 419.526 -0.017 20 0 HBADMP C[NH+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000522774239 1071210755 /nfs/dbraw/zinc/21/07/55/1071210755.db2.gz NATXJKLTZJLKBU-UHFFFAOYSA-N 2 1 411.528 -0.371 20 0 HBADMP C[NH+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000522774239 1071210750 /nfs/dbraw/zinc/21/07/50/1071210750.db2.gz NATXJKLTZJLKBU-UHFFFAOYSA-N 2 1 411.528 -0.371 20 0 HBADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000523057119 1071299428 /nfs/dbraw/zinc/29/94/28/1071299428.db2.gz YPEHGBQBUOYKPV-GOSISDBHSA-N 2 1 417.510 -0.049 20 0 HBADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000523057120 1071299306 /nfs/dbraw/zinc/29/93/06/1071299306.db2.gz YPEHGBQBUOYKPV-SFHVURJKSA-N 2 1 417.510 -0.049 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664273 1071371110 /nfs/dbraw/zinc/37/11/10/1071371110.db2.gz UGUJHRWBRVBGKE-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664273 1071371099 /nfs/dbraw/zinc/37/10/99/1071371099.db2.gz UGUJHRWBRVBGKE-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664274 1071371053 /nfs/dbraw/zinc/37/10/53/1071371053.db2.gz UGUJHRWBRVBGKE-FUHWJXTLSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664274 1071371038 /nfs/dbraw/zinc/37/10/38/1071371038.db2.gz UGUJHRWBRVBGKE-FUHWJXTLSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664275 1071371406 /nfs/dbraw/zinc/37/14/06/1071371406.db2.gz UGUJHRWBRVBGKE-SJLPKXTDSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664275 1071371398 /nfs/dbraw/zinc/37/13/98/1071371398.db2.gz UGUJHRWBRVBGKE-SJLPKXTDSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664276 1071371339 /nfs/dbraw/zinc/37/13/39/1071371339.db2.gz UGUJHRWBRVBGKE-WMZOPIPTSA-N 2 1 407.559 -0.012 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1=O ZINC000523664276 1071371324 /nfs/dbraw/zinc/37/13/24/1071371324.db2.gz UGUJHRWBRVBGKE-WMZOPIPTSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000524633492 1071460423 /nfs/dbraw/zinc/46/04/23/1071460423.db2.gz ODGGBYBFSGIMGG-UHFFFAOYSA-N 2 1 408.547 -0.511 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000524651202 1071463236 /nfs/dbraw/zinc/46/32/36/1071463236.db2.gz LPSAGAXUDUWTHK-UHFFFAOYSA-N 2 1 414.514 -0.040 20 0 HBADMP Cn1c2c(ccn2CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000524718517 1071470228 /nfs/dbraw/zinc/47/02/28/1071470228.db2.gz YIKFEDHXNHWXKS-UHFFFAOYSA-N 2 1 411.466 -0.176 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750876 1071472032 /nfs/dbraw/zinc/47/20/32/1071472032.db2.gz CCMNLDUAFITMNK-KRWDZBQOSA-N 2 1 403.593 -0.516 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750876 1071472024 /nfs/dbraw/zinc/47/20/24/1071472024.db2.gz CCMNLDUAFITMNK-KRWDZBQOSA-N 2 1 403.593 -0.516 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750877 1071472132 /nfs/dbraw/zinc/47/21/32/1071472132.db2.gz CCMNLDUAFITMNK-QGZVFWFLSA-N 2 1 403.593 -0.516 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000524750877 1071472130 /nfs/dbraw/zinc/47/21/30/1071472130.db2.gz CCMNLDUAFITMNK-QGZVFWFLSA-N 2 1 403.593 -0.516 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267162 1071513063 /nfs/dbraw/zinc/51/30/63/1071513063.db2.gz JLRJRGNJCWKPGV-IBGZPJMESA-N 2 1 408.591 -0.681 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267162 1071513053 /nfs/dbraw/zinc/51/30/53/1071513053.db2.gz JLRJRGNJCWKPGV-IBGZPJMESA-N 2 1 408.591 -0.681 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267163 1071513233 /nfs/dbraw/zinc/51/32/33/1071513233.db2.gz JLRJRGNJCWKPGV-LJQANCHMSA-N 2 1 408.591 -0.681 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000525267163 1071513224 /nfs/dbraw/zinc/51/32/24/1071513224.db2.gz JLRJRGNJCWKPGV-LJQANCHMSA-N 2 1 408.591 -0.681 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525302832 1071516611 /nfs/dbraw/zinc/51/66/11/1071516611.db2.gz JHJXICXHIQEXHK-INIZCTEOSA-N 2 1 410.563 -0.184 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525302833 1071516358 /nfs/dbraw/zinc/51/63/58/1071516358.db2.gz JHJXICXHIQEXHK-MRXNPFEDSA-N 2 1 410.563 -0.184 20 0 HBADMP CN1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000525688608 1068965218 /nfs/dbraw/zinc/96/52/18/1068965218.db2.gz GVFBSRQXIRWRHD-GOSISDBHSA-N 2 1 407.559 -0.058 20 0 HBADMP CN1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000525688609 1068965367 /nfs/dbraw/zinc/96/53/67/1068965367.db2.gz GVFBSRQXIRWRHD-SFHVURJKSA-N 2 1 407.559 -0.058 20 0 HBADMP C1=CC[NH+](CCNc2nc(NCC[N@@H+]3CC=CCC3)nc(N3CCOCC3)n2)CC1 ZINC000530483716 1069079239 /nfs/dbraw/zinc/07/92/39/1069079239.db2.gz JQORCRUSBNOIGV-UHFFFAOYSA-N 2 1 414.558 -0.100 20 0 HBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000530565027 1069081843 /nfs/dbraw/zinc/08/18/43/1069081843.db2.gz XPXNZSNAOJXPEH-UHFFFAOYSA-N 2 1 421.483 -0.823 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128516 1069143225 /nfs/dbraw/zinc/14/32/25/1069143225.db2.gz XEBITDGEQMYFOM-MSOLQXFVSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128516 1069143216 /nfs/dbraw/zinc/14/32/16/1069143216.db2.gz XEBITDGEQMYFOM-MSOLQXFVSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128517 1069143337 /nfs/dbraw/zinc/14/33/37/1069143337.db2.gz XEBITDGEQMYFOM-QZTJIDSGSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128517 1069143334 /nfs/dbraw/zinc/14/33/34/1069143334.db2.gz XEBITDGEQMYFOM-QZTJIDSGSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128518 1069143069 /nfs/dbraw/zinc/14/30/69/1069143069.db2.gz XEBITDGEQMYFOM-ROUUACIJSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128518 1069143065 /nfs/dbraw/zinc/14/30/65/1069143065.db2.gz XEBITDGEQMYFOM-ROUUACIJSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128520 1069143048 /nfs/dbraw/zinc/14/30/48/1069143048.db2.gz XEBITDGEQMYFOM-ZWKOTPCHSA-N 2 1 407.559 -0.058 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000532128520 1069143042 /nfs/dbraw/zinc/14/30/42/1069143042.db2.gz XEBITDGEQMYFOM-ZWKOTPCHSA-N 2 1 407.559 -0.058 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC000532274841 1071158666 /nfs/dbraw/zinc/15/86/66/1071158666.db2.gz BNUACVCBOINALP-UHFFFAOYSA-N 2 1 421.546 -0.168 20 0 HBADMP CC[NH+]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[N@H+](CC)CC3)CC2)CC1 ZINC000532943332 1069247505 /nfs/dbraw/zinc/24/75/05/1069247505.db2.gz KHWWXVCOZUFIRS-UHFFFAOYSA-N 2 1 422.618 -0.288 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C[C@@H]3CCCC[N@H+]3C)CC1)c(=O)n2C ZINC000532959278 1069249485 /nfs/dbraw/zinc/24/94/85/1069249485.db2.gz BUKPSWAJBZNTFZ-KRWDZBQOSA-N 2 1 417.558 -0.074 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C[C@@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000532959278 1069249474 /nfs/dbraw/zinc/24/94/74/1069249474.db2.gz BUKPSWAJBZNTFZ-KRWDZBQOSA-N 2 1 417.558 -0.074 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C[C@H]3CCCC[N@H+]3C)CC1)c(=O)n2C ZINC000532959279 1069249209 /nfs/dbraw/zinc/24/92/09/1069249209.db2.gz BUKPSWAJBZNTFZ-QGZVFWFLSA-N 2 1 417.558 -0.074 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)c(=O)n2C ZINC000532959279 1069249198 /nfs/dbraw/zinc/24/91/98/1069249198.db2.gz BUKPSWAJBZNTFZ-QGZVFWFLSA-N 2 1 417.558 -0.074 20 0 HBADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000533055472 1069255976 /nfs/dbraw/zinc/25/59/76/1069255976.db2.gz LAGVWOBIALYYPH-KRWDZBQOSA-N 2 1 407.559 -0.058 20 0 HBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000533055481 1069256157 /nfs/dbraw/zinc/25/61/57/1069256157.db2.gz LAGVWOBIALYYPH-QGZVFWFLSA-N 2 1 407.559 -0.058 20 0 HBADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055936 1069255529 /nfs/dbraw/zinc/25/55/29/1069255529.db2.gz YOEPFBCQNWXBRI-AEFFLSMTSA-N 2 1 407.559 -0.025 20 0 HBADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055937 1069255244 /nfs/dbraw/zinc/25/52/44/1069255244.db2.gz YOEPFBCQNWXBRI-FUHWJXTLSA-N 2 1 407.559 -0.025 20 0 HBADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055938 1069255591 /nfs/dbraw/zinc/25/55/91/1069255591.db2.gz YOEPFBCQNWXBRI-SJLPKXTDSA-N 2 1 407.559 -0.025 20 0 HBADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055939 1069255377 /nfs/dbraw/zinc/25/53/77/1069255377.db2.gz YOEPFBCQNWXBRI-WMZOPIPTSA-N 2 1 407.559 -0.025 20 0 HBADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000533279521 1069273309 /nfs/dbraw/zinc/27/33/09/1069273309.db2.gz GAIZUUWUCHTXLO-INIZCTEOSA-N 2 1 403.531 -0.464 20 0 HBADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000533279522 1069273355 /nfs/dbraw/zinc/27/33/55/1069273355.db2.gz GAIZUUWUCHTXLO-MRXNPFEDSA-N 2 1 403.531 -0.464 20 0 HBADMP O=C1NCCN1[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354951 1069277877 /nfs/dbraw/zinc/27/78/77/1069277877.db2.gz OBZJPVTZEIEVCT-HDICACEKSA-N 2 1 408.547 -0.018 20 0 HBADMP O=C1NCCN1[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354951 1069277871 /nfs/dbraw/zinc/27/78/71/1069277871.db2.gz OBZJPVTZEIEVCT-HDICACEKSA-N 2 1 408.547 -0.018 20 0 HBADMP O=C1NCCN1[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354951 1069277856 /nfs/dbraw/zinc/27/78/56/1069277856.db2.gz OBZJPVTZEIEVCT-HDICACEKSA-N 2 1 408.547 -0.018 20 0 HBADMP O=C1NCCN1[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000533354952 1069277763 /nfs/dbraw/zinc/27/77/63/1069277763.db2.gz OBZJPVTZEIEVCT-QZTJIDSGSA-N 2 1 408.547 -0.018 20 0 HBADMP O=C1NCCN1[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354953 1069277961 /nfs/dbraw/zinc/27/79/61/1069277961.db2.gz OBZJPVTZEIEVCT-ROUUACIJSA-N 2 1 408.547 -0.018 20 0 HBADMP CN(C)C(=O)[C@@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000533540572 1069294231 /nfs/dbraw/zinc/29/42/31/1069294231.db2.gz SHNUGRVRIHQBOJ-FQEVSTJZSA-N 2 1 411.591 -0.495 20 0 HBADMP CN(C)C(=O)[C@@H]1C[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000533540572 1069294221 /nfs/dbraw/zinc/29/42/21/1069294221.db2.gz SHNUGRVRIHQBOJ-FQEVSTJZSA-N 2 1 411.591 -0.495 20 0 HBADMP CN(C)C(=O)[C@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000533540573 1069294355 /nfs/dbraw/zinc/29/43/55/1069294355.db2.gz SHNUGRVRIHQBOJ-HXUWFJFHSA-N 2 1 411.591 -0.495 20 0 HBADMP CN(C)C(=O)[C@H]1C[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000533540573 1069294348 /nfs/dbraw/zinc/29/43/48/1069294348.db2.gz SHNUGRVRIHQBOJ-HXUWFJFHSA-N 2 1 411.591 -0.495 20 0 HBADMP C[NH+](CCCN1C(=O)CNC1=O)[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299868 /nfs/dbraw/zinc/29/98/68/1069299868.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 1 408.503 -0.344 20 0 HBADMP C[NH+](CCCN1C(=O)CNC1=O)[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299855 /nfs/dbraw/zinc/29/98/55/1069299855.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@@H+](CCCN1C(=O)CNC1=O)[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299838 /nfs/dbraw/zinc/29/98/38/1069299838.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@H+](CCCN1C(=O)CNC1=O)[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299829 /nfs/dbraw/zinc/29/98/29/1069299829.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@@H+](CCCN1C(=O)CNC1=O)[C@H]1CCCN(CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299811 /nfs/dbraw/zinc/29/98/11/1069299811.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 1 408.503 -0.344 20 0 HBADMP C[NH+](CCCN1C(=O)CNC1=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299720 /nfs/dbraw/zinc/29/97/20/1069299720.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 1 408.503 -0.344 20 0 HBADMP C[NH+](CCCN1C(=O)CNC1=O)[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299710 /nfs/dbraw/zinc/29/97/10/1069299710.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299700 /nfs/dbraw/zinc/29/97/00/1069299700.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299691 /nfs/dbraw/zinc/29/96/91/1069299691.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 1 408.503 -0.344 20 0 HBADMP C[N@@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCCN(CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299682 /nfs/dbraw/zinc/29/96/82/1069299682.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 1 408.503 -0.344 20 0 HBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000533815949 1069320265 /nfs/dbraw/zinc/32/02/65/1069320265.db2.gz YFEGCWMOEHKSNY-UHFFFAOYSA-N 2 1 424.505 -0.013 20 0 HBADMP CS(=O)(=O)N1CCC[NH+](CCCC[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000534272851 1071208851 /nfs/dbraw/zinc/20/88/51/1071208851.db2.gz OYLUNCUQWWYLMB-UHFFFAOYSA-N 2 1 410.606 -0.299 20 0 HBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273606 1071208589 /nfs/dbraw/zinc/20/85/89/1071208589.db2.gz WFVDWRQTZDMIFJ-HOTGVXAUSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000534273607 1071208422 /nfs/dbraw/zinc/20/84/22/1071208422.db2.gz WFVDWRQTZDMIFJ-HZPDHXFCSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208766 /nfs/dbraw/zinc/20/87/66/1071208766.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208758 /nfs/dbraw/zinc/20/87/58/1071208758.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208750 /nfs/dbraw/zinc/20/87/50/1071208750.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534274202 1071208544 /nfs/dbraw/zinc/20/85/44/1071208544.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534274202 1071208539 /nfs/dbraw/zinc/20/85/39/1071208539.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534274202 1071208536 /nfs/dbraw/zinc/20/85/36/1071208536.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534274203 1071208664 /nfs/dbraw/zinc/20/86/64/1071208664.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534274203 1071208655 /nfs/dbraw/zinc/20/86/55/1071208655.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534274203 1071208643 /nfs/dbraw/zinc/20/86/43/1071208643.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534274204 1071208912 /nfs/dbraw/zinc/20/89/12/1071208912.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534274204 1071208903 /nfs/dbraw/zinc/20/89/03/1071208903.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000534274204 1071208894 /nfs/dbraw/zinc/20/88/94/1071208894.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534274205 1071208493 /nfs/dbraw/zinc/20/84/93/1071208493.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534274205 1071208487 /nfs/dbraw/zinc/20/84/87/1071208487.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 2 1 418.586 -0.879 20 0 HBADMP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000534274205 1071208483 /nfs/dbraw/zinc/20/84/83/1071208483.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 2 1 418.586 -0.879 20 0 HBADMP C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845958 1071232245 /nfs/dbraw/zinc/23/22/45/1071232245.db2.gz GPBMKAQNHXYKBJ-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845958 1071232231 /nfs/dbraw/zinc/23/22/31/1071232231.db2.gz GPBMKAQNHXYKBJ-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845958 1071232220 /nfs/dbraw/zinc/23/22/20/1071232220.db2.gz GPBMKAQNHXYKBJ-IYWMVGAKSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H](O)[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845959 1071232072 /nfs/dbraw/zinc/23/20/72/1071232072.db2.gz GPBMKAQNHXYKBJ-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H](O)[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845959 1071232060 /nfs/dbraw/zinc/23/20/60/1071232060.db2.gz GPBMKAQNHXYKBJ-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845959 1071232050 /nfs/dbraw/zinc/23/20/50/1071232050.db2.gz GPBMKAQNHXYKBJ-JVSBHGNQSA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000534845960 1071232197 /nfs/dbraw/zinc/23/21/97/1071232197.db2.gz GPBMKAQNHXYKBJ-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000534845960 1071232191 /nfs/dbraw/zinc/23/21/91/1071232191.db2.gz GPBMKAQNHXYKBJ-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000534845960 1071232176 /nfs/dbraw/zinc/23/21/76/1071232176.db2.gz GPBMKAQNHXYKBJ-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[C@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845961 1071232980 /nfs/dbraw/zinc/23/29/80/1071232980.db2.gz GPBMKAQNHXYKBJ-VNTMZGSJSA-N 2 1 424.586 -0.157 20 0 HBADMP CNS(=O)(=O)[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008841 1071240025 /nfs/dbraw/zinc/24/00/25/1071240025.db2.gz BHDPBAGJZRGODA-HOTGVXAUSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000535008842 1071239924 /nfs/dbraw/zinc/23/99/24/1071239924.db2.gz BHDPBAGJZRGODA-HZPDHXFCSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008843 1071240155 /nfs/dbraw/zinc/24/01/55/1071240155.db2.gz BHDPBAGJZRGODA-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008843 1071240139 /nfs/dbraw/zinc/24/01/39/1071240139.db2.gz BHDPBAGJZRGODA-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CNS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008843 1071240132 /nfs/dbraw/zinc/24/01/32/1071240132.db2.gz BHDPBAGJZRGODA-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535017679 1071240895 /nfs/dbraw/zinc/24/08/95/1071240895.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535017679 1071240890 /nfs/dbraw/zinc/24/08/90/1071240890.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535017679 1071240879 /nfs/dbraw/zinc/24/08/79/1071240879.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535017683 1071240986 /nfs/dbraw/zinc/24/09/86/1071240986.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535017683 1071240979 /nfs/dbraw/zinc/24/09/79/1071240979.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535017683 1071240971 /nfs/dbraw/zinc/24/09/71/1071240971.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535017684 1071240801 /nfs/dbraw/zinc/24/08/01/1071240801.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535017684 1071240789 /nfs/dbraw/zinc/24/07/89/1071240789.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535017684 1071240775 /nfs/dbraw/zinc/24/07/75/1071240775.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535017685 1071241147 /nfs/dbraw/zinc/24/11/47/1071241147.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535017685 1071241142 /nfs/dbraw/zinc/24/11/42/1071241142.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535017685 1071241137 /nfs/dbraw/zinc/24/11/37/1071241137.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 2 1 406.575 -0.879 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535727182 1068594359 /nfs/dbraw/zinc/59/43/59/1068594359.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535727182 1068594348 /nfs/dbraw/zinc/59/43/48/1068594348.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535727182 1068594338 /nfs/dbraw/zinc/59/43/38/1068594338.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535727183 1068594773 /nfs/dbraw/zinc/59/47/73/1068594773.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535727183 1068594766 /nfs/dbraw/zinc/59/47/66/1068594766.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535727183 1068594760 /nfs/dbraw/zinc/59/47/60/1068594760.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535727184 1068594709 /nfs/dbraw/zinc/59/47/09/1068594709.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535727184 1068594699 /nfs/dbraw/zinc/59/46/99/1068594699.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535727184 1068594682 /nfs/dbraw/zinc/59/46/82/1068594682.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535727185 1068594446 /nfs/dbraw/zinc/59/44/46/1068594446.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535727185 1068594427 /nfs/dbraw/zinc/59/44/27/1068594427.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 2 1 420.602 -0.633 20 0 HBADMP CN(CC(C)(C)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535727185 1068594416 /nfs/dbraw/zinc/59/44/16/1068594416.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 2 1 420.602 -0.633 20 0 HBADMP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535729701 1068594650 /nfs/dbraw/zinc/59/46/50/1068594650.db2.gz KKZCXOPBPTZYKH-HKJRMUSSSA-N 2 1 418.586 -0.690 20 0 HBADMP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535729701 1068594640 /nfs/dbraw/zinc/59/46/40/1068594640.db2.gz KKZCXOPBPTZYKH-HKJRMUSSSA-N 2 1 418.586 -0.690 20 0 HBADMP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535729701 1068594627 /nfs/dbraw/zinc/59/46/27/1068594627.db2.gz KKZCXOPBPTZYKH-HKJRMUSSSA-N 2 1 418.586 -0.690 20 0 HBADMP O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535729712 1068594597 /nfs/dbraw/zinc/59/45/97/1068594597.db2.gz KKZCXOPBPTZYKH-MUGJNUQGSA-N 2 1 418.586 -0.690 20 0 HBADMP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535729715 1068594508 /nfs/dbraw/zinc/59/45/08/1068594508.db2.gz KKZCXOPBPTZYKH-UAFMIMERSA-N 2 1 418.586 -0.690 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@H]1CCC[C@H]1O ZINC000535878283 1068607539 /nfs/dbraw/zinc/60/75/39/1068607539.db2.gz ZISCMHNQHPNOHY-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@H]1CCC[C@H]1O ZINC000535878283 1068607533 /nfs/dbraw/zinc/60/75/33/1068607533.db2.gz ZISCMHNQHPNOHY-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878283 1068607527 /nfs/dbraw/zinc/60/75/27/1068607527.db2.gz ZISCMHNQHPNOHY-FGYAAKKASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878288 1068607309 /nfs/dbraw/zinc/60/73/09/1068607309.db2.gz ZISCMHNQHPNOHY-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878288 1068607303 /nfs/dbraw/zinc/60/73/03/1068607303.db2.gz ZISCMHNQHPNOHY-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@H]1O ZINC000535878288 1068607298 /nfs/dbraw/zinc/60/72/98/1068607298.db2.gz ZISCMHNQHPNOHY-LWYYNNOASA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878291 1068607319 /nfs/dbraw/zinc/60/73/19/1068607319.db2.gz ZISCMHNQHPNOHY-MUGJNUQGSA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@H]1CCC[C@@H]1O ZINC000535878295 1068607256 /nfs/dbraw/zinc/60/72/56/1068607256.db2.gz ZISCMHNQHPNOHY-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@H]1CCC[C@@H]1O ZINC000535878295 1068607250 /nfs/dbraw/zinc/60/72/50/1068607250.db2.gz ZISCMHNQHPNOHY-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878295 1068607231 /nfs/dbraw/zinc/60/72/31/1068607231.db2.gz ZISCMHNQHPNOHY-YRPNKDGESA-N 2 1 424.586 -0.157 20 0 HBADMP CC(C)C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)NCC[NH+](C)C ZINC000536226098 1069247939 /nfs/dbraw/zinc/24/79/39/1069247939.db2.gz LBEFPJPMZUFVNC-KRWDZBQOSA-N 2 1 412.579 -0.069 20 0 HBADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000536471537 1070709910 /nfs/dbraw/zinc/70/99/10/1070709910.db2.gz UMHFXVZLLVWKEG-UHFFFAOYSA-N 2 1 411.572 -0.438 20 0 HBADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000536471537 1070709897 /nfs/dbraw/zinc/70/98/97/1070709897.db2.gz UMHFXVZLLVWKEG-UHFFFAOYSA-N 2 1 411.572 -0.438 20 0 HBADMP CCNS(=O)(=O)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565956 1069216458 /nfs/dbraw/zinc/21/64/58/1069216458.db2.gz WTIXEPKGCCTLCD-HOTGVXAUSA-N 2 1 410.606 -0.206 20 0 HBADMP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536565959 1069216205 /nfs/dbraw/zinc/21/62/05/1069216205.db2.gz WTIXEPKGCCTLCD-HZPDHXFCSA-N 2 1 410.606 -0.206 20 0 HBADMP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565961 1069216167 /nfs/dbraw/zinc/21/61/67/1069216167.db2.gz WTIXEPKGCCTLCD-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565961 1069216157 /nfs/dbraw/zinc/21/61/57/1069216157.db2.gz WTIXEPKGCCTLCD-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565961 1069216149 /nfs/dbraw/zinc/21/61/49/1069216149.db2.gz WTIXEPKGCCTLCD-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740226 1069328248 /nfs/dbraw/zinc/32/82/48/1069328248.db2.gz IQEFOSIRWHGZKB-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740226 1069328232 /nfs/dbraw/zinc/32/82/32/1069328232.db2.gz IQEFOSIRWHGZKB-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740226 1069328215 /nfs/dbraw/zinc/32/82/15/1069328215.db2.gz IQEFOSIRWHGZKB-JVSBHGNQSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740227 1069328010 /nfs/dbraw/zinc/32/80/10/1069328010.db2.gz IQEFOSIRWHGZKB-WTGUMLROSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740227 1069327992 /nfs/dbraw/zinc/32/79/92/1069327992.db2.gz IQEFOSIRWHGZKB-WTGUMLROSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740227 1069327976 /nfs/dbraw/zinc/32/79/76/1069327976.db2.gz IQEFOSIRWHGZKB-WTGUMLROSA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[NH+](C)[C@@H](C)[C@@H]3C)CC2)CC[N@H+]1C ZINC000536740228 1069328178 /nfs/dbraw/zinc/32/81/78/1069328178.db2.gz IQEFOSIRWHGZKB-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[NH+](C)[C@@H](C)[C@@H]3C)CC2)CC[N@@H+]1C ZINC000536740228 1069328162 /nfs/dbraw/zinc/32/81/62/1069328162.db2.gz IQEFOSIRWHGZKB-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000536740228 1069328148 /nfs/dbraw/zinc/32/81/48/1069328148.db2.gz IQEFOSIRWHGZKB-YRPNKDGESA-N 2 1 422.618 -0.294 20 0 HBADMP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@H](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000536740229 1069327816 /nfs/dbraw/zinc/32/78/16/1069327816.db2.gz IQEFOSIRWHGZKB-ZRNYENFQSA-N 2 1 422.618 -0.294 20 0 HBADMP COCCNc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000538086531 1069633357 /nfs/dbraw/zinc/63/33/57/1069633357.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000538086531 1069633353 /nfs/dbraw/zinc/63/33/53/1069633353.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000538086531 1069633350 /nfs/dbraw/zinc/63/33/50/1069633350.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000538086531 1069633343 /nfs/dbraw/zinc/63/33/43/1069633343.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000538086531 1069633334 /nfs/dbraw/zinc/63/33/34/1069633334.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 2 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000538086532 1069633510 /nfs/dbraw/zinc/63/35/10/1069633510.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000538086532 1069633508 /nfs/dbraw/zinc/63/35/08/1069633508.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000538086532 1069633504 /nfs/dbraw/zinc/63/35/04/1069633504.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000538086532 1069633501 /nfs/dbraw/zinc/63/35/01/1069633501.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 1 406.579 -0.297 20 0 HBADMP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000538086532 1069633494 /nfs/dbraw/zinc/63/34/94/1069633494.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 2 1 406.579 -0.297 20 0 HBADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538185673 1069647104 /nfs/dbraw/zinc/64/71/04/1069647104.db2.gz VIPRDJJLMAVGIO-UHFFFAOYSA-N 2 1 419.530 -0.241 20 0 HBADMP C[C@H]1CN(CCCC[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000540672945 1071380739 /nfs/dbraw/zinc/38/07/39/1071380739.db2.gz MYQJMEAYCQIFIS-HOTGVXAUSA-N 2 1 410.606 -0.302 20 0 HBADMP C[C@H]1CN(CCCC[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000540672945 1071380730 /nfs/dbraw/zinc/38/07/30/1071380730.db2.gz MYQJMEAYCQIFIS-HOTGVXAUSA-N 2 1 410.606 -0.302 20 0 HBADMP O=C(CN1CCOCC2(CC2)C1)N1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000542055033 1071503764 /nfs/dbraw/zinc/50/37/64/1071503764.db2.gz JSWXJGNTZVXKAG-UHFFFAOYSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(CN1CCOCC2(CC2)C1)N1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000542055033 1071503753 /nfs/dbraw/zinc/50/37/53/1071503753.db2.gz JSWXJGNTZVXKAG-UHFFFAOYSA-N 2 1 420.554 -0.118 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180823 1069309867 /nfs/dbraw/zinc/30/98/67/1069309867.db2.gz CHHLZRLOGLQRGT-GTYQWKCWSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000543180825 1069309525 /nfs/dbraw/zinc/30/95/25/1069309525.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000543180825 1069309513 /nfs/dbraw/zinc/30/95/13/1069309513.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180825 1069309498 /nfs/dbraw/zinc/30/94/98/1069309498.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000543180828 1069309405 /nfs/dbraw/zinc/30/94/05/1069309405.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000543180828 1069309390 /nfs/dbraw/zinc/30/93/90/1069309390.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180828 1069309373 /nfs/dbraw/zinc/30/93/73/1069309373.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069309989 /nfs/dbraw/zinc/30/99/89/1069309989.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069309975 /nfs/dbraw/zinc/30/99/75/1069309975.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 2 1 420.554 -0.937 20 0 HBADMP O=C(C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069309962 /nfs/dbraw/zinc/30/99/62/1069309962.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 2 1 420.554 -0.937 20 0 HBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000545154830 1072061642 /nfs/dbraw/zinc/06/16/42/1072061642.db2.gz XTOUMODMPCIXFR-UHFFFAOYSA-N 2 1 405.503 -0.732 20 0 HBADMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc21 ZINC000545168021 1072062996 /nfs/dbraw/zinc/06/29/96/1072062996.db2.gz USMZFRVIIZHJBS-IBGZPJMESA-N 2 1 405.455 -0.723 20 0 HBADMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc21 ZINC000545168022 1072063121 /nfs/dbraw/zinc/06/31/21/1072063121.db2.gz USMZFRVIIZHJBS-LJQANCHMSA-N 2 1 405.455 -0.723 20 0 HBADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000545173123 1072063075 /nfs/dbraw/zinc/06/30/75/1072063075.db2.gz XAWBFMZACJUGRJ-NRFANRHFSA-N 2 1 419.526 -0.121 20 0 HBADMP O=C(COCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390431 1068555051 /nfs/dbraw/zinc/55/50/51/1068555051.db2.gz KDGPWMOQCLCEOE-UHFFFAOYSA-N 2 1 402.459 -0.853 20 0 HBADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000549163889 1069031020 /nfs/dbraw/zinc/03/10/20/1069031020.db2.gz FHWKQPASUSKJTG-IBGZPJMESA-N 2 1 405.547 -0.039 20 0 HBADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000549163890 1069030940 /nfs/dbraw/zinc/03/09/40/1069030940.db2.gz FHWKQPASUSKJTG-LJQANCHMSA-N 2 1 405.547 -0.039 20 0 HBADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000549882926 1069425422 /nfs/dbraw/zinc/42/54/22/1069425422.db2.gz LVWCJFUQVSUENL-UHFFFAOYSA-N 2 1 409.575 -0.299 20 0 HBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000549978281 1069954783 /nfs/dbraw/zinc/95/47/83/1069954783.db2.gz AUEJIALXXARNSL-UHFFFAOYSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000549993313 1070074683 /nfs/dbraw/zinc/07/46/83/1070074683.db2.gz IGXZLMRUPUWYNP-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000549994103 1070083309 /nfs/dbraw/zinc/08/33/09/1070083309.db2.gz VVOGANVQPPGGSP-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550033913 1070375651 /nfs/dbraw/zinc/37/56/51/1070375651.db2.gz IKSCBIHAYKCRII-UHFFFAOYSA-N 2 1 403.531 -0.295 20 0 HBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093501 1070384213 /nfs/dbraw/zinc/38/42/13/1070384213.db2.gz AVNMXDRDYWOHDJ-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093502 1070383956 /nfs/dbraw/zinc/38/39/56/1070383956.db2.gz AVNMXDRDYWOHDJ-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093503 1070383688 /nfs/dbraw/zinc/38/36/88/1070383688.db2.gz AVNMXDRDYWOHDJ-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093504 1070384691 /nfs/dbraw/zinc/38/46/91/1070384691.db2.gz AVNMXDRDYWOHDJ-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000550094066 1070384802 /nfs/dbraw/zinc/38/48/02/1070384802.db2.gz AXUDCHVKDJCCHB-KRWDZBQOSA-N 2 1 411.547 -0.872 20 0 HBADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000550094066 1070384785 /nfs/dbraw/zinc/38/47/85/1070384785.db2.gz AXUDCHVKDJCCHB-KRWDZBQOSA-N 2 1 411.547 -0.872 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000550094067 1070385136 /nfs/dbraw/zinc/38/51/36/1070385136.db2.gz AXUDCHVKDJCCHB-QGZVFWFLSA-N 2 1 411.547 -0.872 20 0 HBADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000550094067 1070385123 /nfs/dbraw/zinc/38/51/23/1070385123.db2.gz AXUDCHVKDJCCHB-QGZVFWFLSA-N 2 1 411.547 -0.872 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000550095933 1070387425 /nfs/dbraw/zinc/38/74/25/1070387425.db2.gz IZTLKACXYTWANF-AQNXPRMDSA-N 2 1 423.602 -0.056 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000550095935 1070387138 /nfs/dbraw/zinc/38/71/38/1070387138.db2.gz IZTLKACXYTWANF-VAMGGRTRSA-N 2 1 423.602 -0.056 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000550095937 1070387552 /nfs/dbraw/zinc/38/75/52/1070387552.db2.gz IZTLKACXYTWANF-XUVXKRRUSA-N 2 1 423.602 -0.056 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000550095939 1070387374 /nfs/dbraw/zinc/38/73/74/1070387374.db2.gz IZTLKACXYTWANF-ZCNNSNEGSA-N 2 1 423.602 -0.056 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550116366 1070390098 /nfs/dbraw/zinc/39/00/98/1070390098.db2.gz RCZKPJWXWUAKMH-UHFFFAOYSA-N 2 1 403.527 -0.013 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292492 1070518028 /nfs/dbraw/zinc/51/80/28/1070518028.db2.gz UIQYJBCDLBUFNY-GOSISDBHSA-N 2 1 418.542 -0.323 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292493 1070518298 /nfs/dbraw/zinc/51/82/98/1070518298.db2.gz UIQYJBCDLBUFNY-SFHVURJKSA-N 2 1 418.542 -0.323 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550310003 1070530000 /nfs/dbraw/zinc/53/00/00/1070530000.db2.gz LLXRRRODOREIQP-UHFFFAOYSA-N 2 1 415.542 -0.152 20 0 HBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374183 1070627655 /nfs/dbraw/zinc/62/76/55/1070627655.db2.gz JEJIGRVNKVNHII-GOSISDBHSA-N 2 1 417.558 -0.095 20 0 HBADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374183 1070627652 /nfs/dbraw/zinc/62/76/52/1070627652.db2.gz JEJIGRVNKVNHII-GOSISDBHSA-N 2 1 417.558 -0.095 20 0 HBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374184 1070627677 /nfs/dbraw/zinc/62/76/77/1070627677.db2.gz JEJIGRVNKVNHII-SFHVURJKSA-N 2 1 417.558 -0.095 20 0 HBADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000550374184 1070627673 /nfs/dbraw/zinc/62/76/73/1070627673.db2.gz JEJIGRVNKVNHII-SFHVURJKSA-N 2 1 417.558 -0.095 20 0 HBADMP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000550377883 1070629403 /nfs/dbraw/zinc/62/94/03/1070629403.db2.gz YTGBGZJQDPWDOO-UHFFFAOYSA-N 2 1 401.511 -0.099 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381959 1070634539 /nfs/dbraw/zinc/63/45/39/1070634539.db2.gz OSWWCYHTJXYJOY-MOPGFXCFSA-N 2 1 411.591 -0.008 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381960 1070634787 /nfs/dbraw/zinc/63/47/87/1070634787.db2.gz OSWWCYHTJXYJOY-OALUTQOASA-N 2 1 411.591 -0.008 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381961 1070634573 /nfs/dbraw/zinc/63/45/73/1070634573.db2.gz OSWWCYHTJXYJOY-RBUKOAKNSA-N 2 1 411.591 -0.008 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381962 1070634697 /nfs/dbraw/zinc/63/46/97/1070634697.db2.gz OSWWCYHTJXYJOY-RTBURBONSA-N 2 1 411.591 -0.008 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550408481 1070648809 /nfs/dbraw/zinc/64/88/09/1070648809.db2.gz OSBODVXPZSVHPK-FQEVSTJZSA-N 2 1 416.570 -0.718 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550408482 1070648736 /nfs/dbraw/zinc/64/87/36/1070648736.db2.gz OSBODVXPZSVHPK-HXUWFJFHSA-N 2 1 416.570 -0.718 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550410072 1070649685 /nfs/dbraw/zinc/64/96/85/1070649685.db2.gz KVVQSCBCQZXFQS-IBGZPJMESA-N 2 1 417.554 -0.056 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550410073 1070649484 /nfs/dbraw/zinc/64/94/84/1070649484.db2.gz KVVQSCBCQZXFQS-LJQANCHMSA-N 2 1 417.554 -0.056 20 0 HBADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000550420644 1070675474 /nfs/dbraw/zinc/67/54/74/1070675474.db2.gz AHPCTUWILCUQES-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000550444391 1069545365 /nfs/dbraw/zinc/54/53/65/1069545365.db2.gz SPHNZSYJUJZZBC-JWTNVVGKSA-N 2 1 417.558 0.153 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000550457598 1070903139 /nfs/dbraw/zinc/90/31/39/1070903139.db2.gz GDWUGFZKKAHUBJ-FQEVSTJZSA-N 2 1 423.602 -0.055 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000550457600 1070903312 /nfs/dbraw/zinc/90/33/12/1070903312.db2.gz GDWUGFZKKAHUBJ-HXUWFJFHSA-N 2 1 423.602 -0.055 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000550458179 1070901843 /nfs/dbraw/zinc/90/18/43/1070901843.db2.gz VRMQONODYZMSAX-MSOLQXFVSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000550458179 1070901834 /nfs/dbraw/zinc/90/18/34/1070901834.db2.gz VRMQONODYZMSAX-MSOLQXFVSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000550458179 1070901823 /nfs/dbraw/zinc/90/18/23/1070901823.db2.gz VRMQONODYZMSAX-MSOLQXFVSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000550458180 1070901654 /nfs/dbraw/zinc/90/16/54/1070901654.db2.gz VRMQONODYZMSAX-QZTJIDSGSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000550458180 1070901641 /nfs/dbraw/zinc/90/16/41/1070901641.db2.gz VRMQONODYZMSAX-QZTJIDSGSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000550458180 1070901624 /nfs/dbraw/zinc/90/16/24/1070901624.db2.gz VRMQONODYZMSAX-QZTJIDSGSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000550458181 1070901408 /nfs/dbraw/zinc/90/14/08/1070901408.db2.gz VRMQONODYZMSAX-ROUUACIJSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000550458181 1070901393 /nfs/dbraw/zinc/90/13/93/1070901393.db2.gz VRMQONODYZMSAX-ROUUACIJSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000550458181 1070901385 /nfs/dbraw/zinc/90/13/85/1070901385.db2.gz VRMQONODYZMSAX-ROUUACIJSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000550458182 1070901562 /nfs/dbraw/zinc/90/15/62/1070901562.db2.gz VRMQONODYZMSAX-ZWKOTPCHSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000550458182 1070901547 /nfs/dbraw/zinc/90/15/47/1070901547.db2.gz VRMQONODYZMSAX-ZWKOTPCHSA-N 2 1 423.558 -0.776 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000550458182 1070901533 /nfs/dbraw/zinc/90/15/33/1070901533.db2.gz VRMQONODYZMSAX-ZWKOTPCHSA-N 2 1 423.558 -0.776 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000550479368 1071021894 /nfs/dbraw/zinc/02/18/94/1071021894.db2.gz ICPIPWWBOSYDOD-UHFFFAOYSA-N 2 1 409.575 -0.301 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550485876 1071024616 /nfs/dbraw/zinc/02/46/16/1071024616.db2.gz DMMOMMHVDPSIDJ-UHFFFAOYSA-N 2 1 409.575 -0.110 20 0 HBADMP CN1CCN(c2cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn2)CC1 ZINC000550498713 1071058276 /nfs/dbraw/zinc/05/82/76/1071058276.db2.gz NFMIRMSVMVYOLB-UHFFFAOYSA-N 2 1 419.574 -0.599 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550512499 1071080984 /nfs/dbraw/zinc/08/09/84/1071080984.db2.gz DXDURUZKKHZHQB-KRWDZBQOSA-N 2 1 404.515 -0.714 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550512500 1071080886 /nfs/dbraw/zinc/08/08/86/1071080886.db2.gz DXDURUZKKHZHQB-QGZVFWFLSA-N 2 1 404.515 -0.714 20 0 HBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cn2)CC1 ZINC000550612971 1069396261 /nfs/dbraw/zinc/39/62/61/1069396261.db2.gz VIIZNLATPNIOQO-GOSISDBHSA-N 2 1 417.558 -0.798 20 0 HBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cn2)CC1 ZINC000550612972 1069396083 /nfs/dbraw/zinc/39/60/83/1069396083.db2.gz VIIZNLATPNIOQO-SFHVURJKSA-N 2 1 417.558 -0.798 20 0 HBADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)o1 ZINC000550645896 1069405116 /nfs/dbraw/zinc/40/51/16/1069405116.db2.gz ONOHCPYOCSPVJC-UHFFFAOYSA-N 2 1 407.515 -0.241 20 0 HBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550646175 1069405077 /nfs/dbraw/zinc/40/50/77/1069405077.db2.gz ZMIMZUKBWFSOKH-UHFFFAOYSA-N 2 1 411.547 -0.728 20 0 HBADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550667791 1069413413 /nfs/dbraw/zinc/41/34/13/1069413413.db2.gz WGYLUAVDUMOLMC-UHFFFAOYSA-N 2 1 409.556 -0.081 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550674734 1069412015 /nfs/dbraw/zinc/41/20/15/1069412015.db2.gz OLOVRSDGYPGYRK-UHFFFAOYSA-N 2 1 418.498 -0.981 20 0 HBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676855 1069412370 /nfs/dbraw/zinc/41/23/70/1069412370.db2.gz KOMLJLFDGANVDL-HKUYNNGSSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676855 1069412366 /nfs/dbraw/zinc/41/23/66/1069412366.db2.gz KOMLJLFDGANVDL-HKUYNNGSSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676856 1069412432 /nfs/dbraw/zinc/41/24/32/1069412432.db2.gz KOMLJLFDGANVDL-IEBWSBKVSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676856 1069412428 /nfs/dbraw/zinc/41/24/28/1069412428.db2.gz KOMLJLFDGANVDL-IEBWSBKVSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676857 1069412718 /nfs/dbraw/zinc/41/27/18/1069412718.db2.gz KOMLJLFDGANVDL-MJGOQNOKSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550676857 1069412712 /nfs/dbraw/zinc/41/27/12/1069412712.db2.gz KOMLJLFDGANVDL-MJGOQNOKSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550677058 1069412467 /nfs/dbraw/zinc/41/24/67/1069412467.db2.gz KOMLJLFDGANVDL-PKOBYXMFSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550677058 1069412460 /nfs/dbraw/zinc/41/24/60/1069412460.db2.gz KOMLJLFDGANVDL-PKOBYXMFSA-N 2 1 415.538 -0.097 20 0 HBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000550689530 1069416529 /nfs/dbraw/zinc/41/65/29/1069416529.db2.gz REQWCKVNLPAHQP-KRWDZBQOSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000550689531 1069416720 /nfs/dbraw/zinc/41/67/20/1069416720.db2.gz REQWCKVNLPAHQP-QGZVFWFLSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550771130 1069434382 /nfs/dbraw/zinc/43/43/82/1069434382.db2.gz ZMBCGBMBTJBIDT-UHFFFAOYSA-N 2 1 403.531 -0.341 20 0 HBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550771794 1069433691 /nfs/dbraw/zinc/43/36/91/1069433691.db2.gz AWBUYNQHNLYNOI-KRWDZBQOSA-N 2 1 403.531 -0.295 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550771794 1069433686 /nfs/dbraw/zinc/43/36/86/1069433686.db2.gz AWBUYNQHNLYNOI-KRWDZBQOSA-N 2 1 403.531 -0.295 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550771795 1069433868 /nfs/dbraw/zinc/43/38/68/1069433868.db2.gz AWBUYNQHNLYNOI-QGZVFWFLSA-N 2 1 403.531 -0.295 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550771795 1069433864 /nfs/dbraw/zinc/43/38/64/1069433864.db2.gz AWBUYNQHNLYNOI-QGZVFWFLSA-N 2 1 403.531 -0.295 20 0 HBADMP CC1CC[NH+](CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550771979 1069434292 /nfs/dbraw/zinc/43/42/92/1069434292.db2.gz HUWIUXVNWIXRSL-UHFFFAOYSA-N 2 1 417.558 -0.047 20 0 HBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550772000 1069434324 /nfs/dbraw/zinc/43/43/24/1069434324.db2.gz IKRYZDHTZKREOY-UHFFFAOYSA-N 2 1 403.531 -0.341 20 0 HBADMP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550772000 1069434322 /nfs/dbraw/zinc/43/43/22/1069434322.db2.gz IKRYZDHTZKREOY-UHFFFAOYSA-N 2 1 403.531 -0.341 20 0 HBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000550772230 1069433751 /nfs/dbraw/zinc/43/37/51/1069433751.db2.gz MWVFORNDVXUOME-DLBZAZTESA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000550772230 1069433748 /nfs/dbraw/zinc/43/37/48/1069433748.db2.gz MWVFORNDVXUOME-DLBZAZTESA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000550772231 1069433843 /nfs/dbraw/zinc/43/38/43/1069433843.db2.gz MWVFORNDVXUOME-IAGOWNOFSA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000550772231 1069433838 /nfs/dbraw/zinc/43/38/38/1069433838.db2.gz MWVFORNDVXUOME-IAGOWNOFSA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000550772232 1069433882 /nfs/dbraw/zinc/43/38/82/1069433882.db2.gz MWVFORNDVXUOME-IRXDYDNUSA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000550772232 1069433879 /nfs/dbraw/zinc/43/38/79/1069433879.db2.gz MWVFORNDVXUOME-IRXDYDNUSA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000550772233 1069433815 /nfs/dbraw/zinc/43/38/15/1069433815.db2.gz MWVFORNDVXUOME-SJORKVTESA-N 2 1 415.542 -0.154 20 0 HBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000550772233 1069433810 /nfs/dbraw/zinc/43/38/10/1069433810.db2.gz MWVFORNDVXUOME-SJORKVTESA-N 2 1 415.542 -0.154 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000550777447 1069435930 /nfs/dbraw/zinc/43/59/30/1069435930.db2.gz CXFHCMJDEIDPTQ-UHFFFAOYSA-N 2 1 418.542 -0.117 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000550779003 1069437252 /nfs/dbraw/zinc/43/72/52/1069437252.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 2 1 410.607 -0.483 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000550779004 1069437203 /nfs/dbraw/zinc/43/72/03/1069437203.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 2 1 410.607 -0.483 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000550807836 1069449291 /nfs/dbraw/zinc/44/92/91/1069449291.db2.gz FGSWXFWVYYSRDI-UHFFFAOYSA-N 2 1 415.538 -0.472 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000550808334 1069448848 /nfs/dbraw/zinc/44/88/48/1069448848.db2.gz PCBWALPFDUZSMH-GOSISDBHSA-N 2 1 403.527 -0.398 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000550808335 1069448722 /nfs/dbraw/zinc/44/87/22/1069448722.db2.gz PCBWALPFDUZSMH-SFHVURJKSA-N 2 1 403.527 -0.398 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830444 1069453638 /nfs/dbraw/zinc/45/36/38/1069453638.db2.gz CFOFGLWQWXKSAQ-BEFAXECRSA-N 2 1 413.588 -0.401 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830445 1069453959 /nfs/dbraw/zinc/45/39/59/1069453959.db2.gz CFOFGLWQWXKSAQ-DNVCBOLYSA-N 2 1 413.588 -0.401 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830446 1069453997 /nfs/dbraw/zinc/45/39/97/1069453997.db2.gz CFOFGLWQWXKSAQ-HNAYVOBHSA-N 2 1 413.588 -0.401 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830447 1069453804 /nfs/dbraw/zinc/45/38/04/1069453804.db2.gz CFOFGLWQWXKSAQ-KXBFYZLASA-N 2 1 413.588 -0.401 20 0 HBADMP C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550872952 1069464095 /nfs/dbraw/zinc/46/40/95/1069464095.db2.gz LWQAODYAXFULSG-UHFFFAOYSA-N 2 1 419.526 -0.615 20 0 HBADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000550876500 1069466298 /nfs/dbraw/zinc/46/62/98/1069466298.db2.gz JCBKYQBLVKTXTK-UHFFFAOYSA-N 2 1 419.526 -0.477 20 0 HBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550879065 1069464612 /nfs/dbraw/zinc/46/46/12/1069464612.db2.gz PQSOVGFXHNNPIK-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)c1 ZINC000550880274 1069464703 /nfs/dbraw/zinc/46/47/03/1069464703.db2.gz KHGGWUXLPUTSTB-UHFFFAOYSA-N 2 1 418.542 -0.119 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](CCN(C)C)CC3)C2)CC1 ZINC000550880562 1069464519 /nfs/dbraw/zinc/46/45/19/1069464519.db2.gz LSVZHSHNYHEXRT-FQEVSTJZSA-N 2 1 422.618 -0.245 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](CCN(C)C)CC3)C2)CC1 ZINC000550880563 1069464768 /nfs/dbraw/zinc/46/47/68/1069464768.db2.gz LSVZHSHNYHEXRT-HXUWFJFHSA-N 2 1 422.618 -0.245 20 0 HBADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000550889029 1069465734 /nfs/dbraw/zinc/46/57/34/1069465734.db2.gz WKUKTWFDRZBOCM-UHFFFAOYSA-N 2 1 419.526 -0.477 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000550942390 1069477529 /nfs/dbraw/zinc/47/75/29/1069477529.db2.gz LVMFEYSBDYRZPJ-FQEVSTJZSA-N 2 1 422.618 -0.243 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000550942390 1069477527 /nfs/dbraw/zinc/47/75/27/1069477527.db2.gz LVMFEYSBDYRZPJ-FQEVSTJZSA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000550942390 1069477526 /nfs/dbraw/zinc/47/75/26/1069477526.db2.gz LVMFEYSBDYRZPJ-FQEVSTJZSA-N 2 1 422.618 -0.243 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000550942391 1069477555 /nfs/dbraw/zinc/47/75/55/1069477555.db2.gz LVMFEYSBDYRZPJ-HXUWFJFHSA-N 2 1 422.618 -0.243 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000550942391 1069477552 /nfs/dbraw/zinc/47/75/52/1069477552.db2.gz LVMFEYSBDYRZPJ-HXUWFJFHSA-N 2 1 422.618 -0.243 20 0 HBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000550942391 1069477549 /nfs/dbraw/zinc/47/75/49/1069477549.db2.gz LVMFEYSBDYRZPJ-HXUWFJFHSA-N 2 1 422.618 -0.243 20 0 HBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000550953890 1069480223 /nfs/dbraw/zinc/48/02/23/1069480223.db2.gz CBIUVVPCWAPZEJ-UHFFFAOYSA-N 2 1 411.591 -0.053 20 0 HBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000550954664 1069480309 /nfs/dbraw/zinc/48/03/09/1069480309.db2.gz WNMIIDSDWYRECJ-UHFFFAOYSA-N 2 1 411.547 -0.917 20 0 HBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000550954664 1069480307 /nfs/dbraw/zinc/48/03/07/1069480307.db2.gz WNMIIDSDWYRECJ-UHFFFAOYSA-N 2 1 411.547 -0.917 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000551028324 1069490591 /nfs/dbraw/zinc/49/05/91/1069490591.db2.gz BXDKAWMRAFHZBI-UHFFFAOYSA-N 2 1 416.526 -0.558 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000551030079 1069490497 /nfs/dbraw/zinc/49/04/97/1069490497.db2.gz GWVOIPZVMPKEBK-UHFFFAOYSA-N 2 1 415.538 -0.169 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000551030079 1069490493 /nfs/dbraw/zinc/49/04/93/1069490493.db2.gz GWVOIPZVMPKEBK-UHFFFAOYSA-N 2 1 415.538 -0.169 20 0 HBADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551030491 1069490549 /nfs/dbraw/zinc/49/05/49/1069490549.db2.gz RLCOZWNRSDJKQV-UHFFFAOYSA-N 2 1 421.517 -0.004 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551054402 1069495814 /nfs/dbraw/zinc/49/58/14/1069495814.db2.gz YIUVPAWAZSAPGA-IBGZPJMESA-N 2 1 415.538 -0.095 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551054402 1069495809 /nfs/dbraw/zinc/49/58/09/1069495809.db2.gz YIUVPAWAZSAPGA-IBGZPJMESA-N 2 1 415.538 -0.095 20 0 HBADMP CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551054402 1069495802 /nfs/dbraw/zinc/49/58/02/1069495802.db2.gz YIUVPAWAZSAPGA-IBGZPJMESA-N 2 1 415.538 -0.095 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551054403 1069495690 /nfs/dbraw/zinc/49/56/90/1069495690.db2.gz YIUVPAWAZSAPGA-LJQANCHMSA-N 2 1 415.538 -0.095 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551054403 1069495685 /nfs/dbraw/zinc/49/56/85/1069495685.db2.gz YIUVPAWAZSAPGA-LJQANCHMSA-N 2 1 415.538 -0.095 20 0 HBADMP CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551054403 1069495683 /nfs/dbraw/zinc/49/56/83/1069495683.db2.gz YIUVPAWAZSAPGA-LJQANCHMSA-N 2 1 415.538 -0.095 20 0 HBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000551058327 1069496947 /nfs/dbraw/zinc/49/69/47/1069496947.db2.gz JEGXSJWJHIZBRI-UHFFFAOYSA-N 2 1 411.547 -0.728 20 0 HBADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551058606 1069496287 /nfs/dbraw/zinc/49/62/87/1069496287.db2.gz RWTJSIKWTNYDMU-UHFFFAOYSA-N 2 1 419.526 -0.477 20 0 HBADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000551058854 1069496413 /nfs/dbraw/zinc/49/64/13/1069496413.db2.gz WZPKOQQHQMNUJU-GOSISDBHSA-N 2 1 403.527 -0.006 20 0 HBADMP Cc1ccc([C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000551058855 1069496276 /nfs/dbraw/zinc/49/62/76/1069496276.db2.gz WZPKOQQHQMNUJU-SFHVURJKSA-N 2 1 403.527 -0.006 20 0 HBADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551062215 1069498152 /nfs/dbraw/zinc/49/81/52/1069498152.db2.gz JAJLICFJRSZAHA-UHFFFAOYSA-N 2 1 421.517 -0.004 20 0 HBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000551062655 1069498173 /nfs/dbraw/zinc/49/81/73/1069498173.db2.gz OSKCOMQKMSKRSX-UHFFFAOYSA-N 2 1 418.498 -0.981 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551123022 1069506654 /nfs/dbraw/zinc/50/66/54/1069506654.db2.gz VIHYWSMPHCFHNC-KRWDZBQOSA-N 2 1 418.542 -0.262 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551123023 1069506580 /nfs/dbraw/zinc/50/65/80/1069506580.db2.gz VIHYWSMPHCFHNC-QGZVFWFLSA-N 2 1 418.542 -0.262 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124324 1069507410 /nfs/dbraw/zinc/50/74/10/1069507410.db2.gz VWOUQLBETZHANR-MSOLQXFVSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124325 1069507196 /nfs/dbraw/zinc/50/71/96/1069507196.db2.gz VWOUQLBETZHANR-QZTJIDSGSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124326 1069507041 /nfs/dbraw/zinc/50/70/41/1069507041.db2.gz VWOUQLBETZHANR-ROUUACIJSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124327 1069507333 /nfs/dbraw/zinc/50/73/33/1069507333.db2.gz VWOUQLBETZHANR-ZWKOTPCHSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000551126897 1069507151 /nfs/dbraw/zinc/50/71/51/1069507151.db2.gz ZMGXKPNXOKSESS-GOSISDBHSA-N 2 1 417.558 -0.047 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000551126898 1069507312 /nfs/dbraw/zinc/50/73/12/1069507312.db2.gz ZMGXKPNXOKSESS-SFHVURJKSA-N 2 1 417.558 -0.047 20 0 HBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551152616 1069510598 /nfs/dbraw/zinc/51/05/98/1069510598.db2.gz QMEOSYXHBOSMSF-GOSISDBHSA-N 2 1 411.591 -0.008 20 0 HBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000551152617 1069510755 /nfs/dbraw/zinc/51/07/55/1069510755.db2.gz QMEOSYXHBOSMSF-SFHVURJKSA-N 2 1 411.591 -0.008 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551187192 1069515763 /nfs/dbraw/zinc/51/57/63/1069515763.db2.gz DMUQAANQBMCSGQ-GOSISDBHSA-N 2 1 415.538 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551187192 1069515756 /nfs/dbraw/zinc/51/57/56/1069515756.db2.gz DMUQAANQBMCSGQ-GOSISDBHSA-N 2 1 415.538 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551187193 1069515872 /nfs/dbraw/zinc/51/58/72/1069515872.db2.gz DMUQAANQBMCSGQ-SFHVURJKSA-N 2 1 415.538 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551187193 1069515870 /nfs/dbraw/zinc/51/58/70/1069515870.db2.gz DMUQAANQBMCSGQ-SFHVURJKSA-N 2 1 415.538 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000551187230 1069515204 /nfs/dbraw/zinc/51/52/04/1069515204.db2.gz FJDUWZQJAFGVQG-UHFFFAOYSA-N 2 1 409.556 -0.035 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000551187789 1069515058 /nfs/dbraw/zinc/51/50/58/1069515058.db2.gz NIZZOJHYVIOUTF-UHFFFAOYSA-N 2 1 418.498 -0.935 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000551188044 1069514669 /nfs/dbraw/zinc/51/46/69/1069514669.db2.gz ZHCBTBGCPUJGMD-UHFFFAOYSA-N 2 1 403.527 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000551188044 1069514664 /nfs/dbraw/zinc/51/46/64/1069514664.db2.gz ZHCBTBGCPUJGMD-UHFFFAOYSA-N 2 1 403.527 -0.049 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000551188053 1069514687 /nfs/dbraw/zinc/51/46/87/1069514687.db2.gz ZQXLNWGVGUIBOG-UHFFFAOYSA-N 2 1 419.526 -0.430 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551191487 1069516698 /nfs/dbraw/zinc/51/66/98/1069516698.db2.gz BCWAAMQFLMPDJR-UHFFFAOYSA-N 2 1 424.590 -0.765 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551191487 1069516688 /nfs/dbraw/zinc/51/66/88/1069516688.db2.gz BCWAAMQFLMPDJR-UHFFFAOYSA-N 2 1 424.590 -0.765 20 0 HBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000551319829 1069534649 /nfs/dbraw/zinc/53/46/49/1069534649.db2.gz XSOHZZSUOUHRKR-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000551319829 1069534643 /nfs/dbraw/zinc/53/46/43/1069534643.db2.gz XSOHZZSUOUHRKR-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000551319829 1069534633 /nfs/dbraw/zinc/53/46/33/1069534633.db2.gz XSOHZZSUOUHRKR-DFNIBXOVSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000551322406 1069536270 /nfs/dbraw/zinc/53/62/70/1069536270.db2.gz OHOQGDDAGMHALA-UHFFFAOYSA-N 2 1 418.502 -0.904 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000551471418 1069548880 /nfs/dbraw/zinc/54/88/80/1069548880.db2.gz DSXXLXZKIGIOHR-KRWDZBQOSA-N 2 1 407.559 -0.153 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000551471419 1069548958 /nfs/dbraw/zinc/54/89/58/1069548958.db2.gz DSXXLXZKIGIOHR-QGZVFWFLSA-N 2 1 407.559 -0.153 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CC[NH+](C)CC1 ZINC000551480606 1069551074 /nfs/dbraw/zinc/55/10/74/1069551074.db2.gz UHSGFCQFYYNPTP-GOSISDBHSA-N 2 1 409.575 -0.253 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CC[NH+](C)CC1 ZINC000551480607 1069551189 /nfs/dbraw/zinc/55/11/89/1069551189.db2.gz UHSGFCQFYYNPTP-SFHVURJKSA-N 2 1 409.575 -0.253 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000551481361 1069550449 /nfs/dbraw/zinc/55/04/49/1069550449.db2.gz XRQLVWHQDAMPSM-GOSISDBHSA-N 2 1 411.591 -0.055 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000551481362 1069550409 /nfs/dbraw/zinc/55/04/09/1069550409.db2.gz XRQLVWHQDAMPSM-SFHVURJKSA-N 2 1 411.591 -0.055 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551505728 1069556283 /nfs/dbraw/zinc/55/62/83/1069556283.db2.gz SVSMZTNFVCKFHZ-GOSISDBHSA-N 2 1 410.607 -0.482 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551505728 1069556276 /nfs/dbraw/zinc/55/62/76/1069556276.db2.gz SVSMZTNFVCKFHZ-GOSISDBHSA-N 2 1 410.607 -0.482 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551505728 1069556269 /nfs/dbraw/zinc/55/62/69/1069556269.db2.gz SVSMZTNFVCKFHZ-GOSISDBHSA-N 2 1 410.607 -0.482 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551505729 1069556515 /nfs/dbraw/zinc/55/65/15/1069556515.db2.gz SVSMZTNFVCKFHZ-SFHVURJKSA-N 2 1 410.607 -0.482 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551505729 1069556504 /nfs/dbraw/zinc/55/65/04/1069556504.db2.gz SVSMZTNFVCKFHZ-SFHVURJKSA-N 2 1 410.607 -0.482 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551505729 1069556493 /nfs/dbraw/zinc/55/64/93/1069556493.db2.gz SVSMZTNFVCKFHZ-SFHVURJKSA-N 2 1 410.607 -0.482 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506011 1069556305 /nfs/dbraw/zinc/55/63/05/1069556305.db2.gz WFGWOULUHSNXSK-MSOLQXFVSA-N 2 1 424.590 -0.955 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506012 1069556354 /nfs/dbraw/zinc/55/63/54/1069556354.db2.gz WFGWOULUHSNXSK-QZTJIDSGSA-N 2 1 424.590 -0.955 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506013 1069556609 /nfs/dbraw/zinc/55/66/09/1069556609.db2.gz WFGWOULUHSNXSK-ROUUACIJSA-N 2 1 424.590 -0.955 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506014 1069556658 /nfs/dbraw/zinc/55/66/58/1069556658.db2.gz WFGWOULUHSNXSK-ZWKOTPCHSA-N 2 1 424.590 -0.955 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506097 1069556538 /nfs/dbraw/zinc/55/65/38/1069556538.db2.gz XWXXRVQPRDZVKM-GBESFXJTSA-N 2 1 411.591 -0.008 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506099 1069556574 /nfs/dbraw/zinc/55/65/74/1069556574.db2.gz XWXXRVQPRDZVKM-QRVBRYPASA-N 2 1 411.591 -0.008 20 0 HBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552176266 1069772390 /nfs/dbraw/zinc/77/23/90/1069772390.db2.gz AULZARJRMKIGSO-KRWDZBQOSA-N 2 1 401.511 -0.053 20 0 HBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552176267 1069772250 /nfs/dbraw/zinc/77/22/50/1069772250.db2.gz AULZARJRMKIGSO-QGZVFWFLSA-N 2 1 401.511 -0.053 20 0 HBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552359049 1069787751 /nfs/dbraw/zinc/78/77/51/1069787751.db2.gz JMOIVPWTEMWZDL-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552359050 1069787720 /nfs/dbraw/zinc/78/77/20/1069787720.db2.gz JMOIVPWTEMWZDL-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537894 1069808754 /nfs/dbraw/zinc/80/87/54/1069808754.db2.gz WVXRQXNJDHVBQZ-DLBZAZTESA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537894 1069808731 /nfs/dbraw/zinc/80/87/31/1069808731.db2.gz WVXRQXNJDHVBQZ-DLBZAZTESA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537895 1069808367 /nfs/dbraw/zinc/80/83/67/1069808367.db2.gz WVXRQXNJDHVBQZ-IAGOWNOFSA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537895 1069808344 /nfs/dbraw/zinc/80/83/44/1069808344.db2.gz WVXRQXNJDHVBQZ-IAGOWNOFSA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537896 1069808145 /nfs/dbraw/zinc/80/81/45/1069808145.db2.gz WVXRQXNJDHVBQZ-IRXDYDNUSA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537896 1069808130 /nfs/dbraw/zinc/80/81/30/1069808130.db2.gz WVXRQXNJDHVBQZ-IRXDYDNUSA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537897 1069808542 /nfs/dbraw/zinc/80/85/42/1069808542.db2.gz WVXRQXNJDHVBQZ-SJORKVTESA-N 2 1 411.547 -0.870 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000552537897 1069808514 /nfs/dbraw/zinc/80/85/14/1069808514.db2.gz WVXRQXNJDHVBQZ-SJORKVTESA-N 2 1 411.547 -0.870 20 0 HBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000552540108 1069809838 /nfs/dbraw/zinc/80/98/38/1069809838.db2.gz MRUVZJMWQCCANL-INIZCTEOSA-N 2 1 405.499 -0.177 20 0 HBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000552540109 1069809168 /nfs/dbraw/zinc/80/91/68/1069809168.db2.gz MRUVZJMWQCCANL-MRXNPFEDSA-N 2 1 405.499 -0.177 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000552558982 1069812009 /nfs/dbraw/zinc/81/20/09/1069812009.db2.gz LRIPJYVJBUXGTM-GOSISDBHSA-N 2 1 423.558 -0.739 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000552558983 1069812509 /nfs/dbraw/zinc/81/25/09/1069812509.db2.gz LRIPJYVJBUXGTM-SFHVURJKSA-N 2 1 423.558 -0.739 20 0 HBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552590624 1069822501 /nfs/dbraw/zinc/82/25/01/1069822501.db2.gz QBILFDYTPXUUSL-UHFFFAOYSA-N 2 1 416.526 -0.211 20 0 HBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000552863213 1069864736 /nfs/dbraw/zinc/86/47/36/1069864736.db2.gz PANONIWCKOKONE-UHFFFAOYSA-N 2 1 422.618 -0.197 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864479 1069865215 /nfs/dbraw/zinc/86/52/15/1069865215.db2.gz HSDYTEJLDJBXBG-IBGZPJMESA-N 2 1 409.575 -0.112 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864480 1069865018 /nfs/dbraw/zinc/86/50/18/1069865018.db2.gz HSDYTEJLDJBXBG-LJQANCHMSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000552882753 1069870419 /nfs/dbraw/zinc/87/04/19/1069870419.db2.gz YQYJRZABQMXKQF-FXAWDEMLSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000552882753 1069870400 /nfs/dbraw/zinc/87/04/00/1069870400.db2.gz YQYJRZABQMXKQF-FXAWDEMLSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000552882754 1069870336 /nfs/dbraw/zinc/87/03/36/1069870336.db2.gz YQYJRZABQMXKQF-PXNSSMCTSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000552882754 1069870315 /nfs/dbraw/zinc/87/03/15/1069870315.db2.gz YQYJRZABQMXKQF-PXNSSMCTSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000552882755 1069869912 /nfs/dbraw/zinc/86/99/12/1069869912.db2.gz YQYJRZABQMXKQF-XLIONFOSSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000552882755 1069869893 /nfs/dbraw/zinc/86/98/93/1069869893.db2.gz YQYJRZABQMXKQF-XLIONFOSSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000552882756 1069870065 /nfs/dbraw/zinc/87/00/65/1069870065.db2.gz YQYJRZABQMXKQF-YLJYHZDGSA-N 2 1 418.538 -0.046 20 0 HBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000552882756 1069870040 /nfs/dbraw/zinc/87/00/40/1069870040.db2.gz YQYJRZABQMXKQF-YLJYHZDGSA-N 2 1 418.538 -0.046 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000552884862 1069865633 /nfs/dbraw/zinc/86/56/33/1069865633.db2.gz OHMCJIFZRFXHIA-KRWDZBQOSA-N 2 1 411.547 -0.917 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000552884863 1069866061 /nfs/dbraw/zinc/86/60/61/1069866061.db2.gz OHMCJIFZRFXHIA-QGZVFWFLSA-N 2 1 411.547 -0.917 20 0 HBADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000552887668 1069866897 /nfs/dbraw/zinc/86/68/97/1069866897.db2.gz UIZOUWHTURYFIB-UHFFFAOYSA-N 2 1 414.514 -0.184 20 0 HBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893032 1069869617 /nfs/dbraw/zinc/86/96/17/1069869617.db2.gz JQJXWEWFOWSYBL-MSOLQXFVSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893032 1069869593 /nfs/dbraw/zinc/86/95/93/1069869593.db2.gz JQJXWEWFOWSYBL-MSOLQXFVSA-N 2 1 407.559 -0.120 20 0 HBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893032 1069869589 /nfs/dbraw/zinc/86/95/89/1069869589.db2.gz JQJXWEWFOWSYBL-MSOLQXFVSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893033 1069868939 /nfs/dbraw/zinc/86/89/39/1069868939.db2.gz JQJXWEWFOWSYBL-QZTJIDSGSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893033 1069868913 /nfs/dbraw/zinc/86/89/13/1069868913.db2.gz JQJXWEWFOWSYBL-QZTJIDSGSA-N 2 1 407.559 -0.120 20 0 HBADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893033 1069868903 /nfs/dbraw/zinc/86/89/03/1069868903.db2.gz JQJXWEWFOWSYBL-QZTJIDSGSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893034 1069869082 /nfs/dbraw/zinc/86/90/82/1069869082.db2.gz JQJXWEWFOWSYBL-ROUUACIJSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893034 1069869057 /nfs/dbraw/zinc/86/90/57/1069869057.db2.gz JQJXWEWFOWSYBL-ROUUACIJSA-N 2 1 407.559 -0.120 20 0 HBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893034 1069869038 /nfs/dbraw/zinc/86/90/38/1069869038.db2.gz JQJXWEWFOWSYBL-ROUUACIJSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893035 1069869495 /nfs/dbraw/zinc/86/94/95/1069869495.db2.gz JQJXWEWFOWSYBL-ZWKOTPCHSA-N 2 1 407.559 -0.120 20 0 HBADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893035 1069869473 /nfs/dbraw/zinc/86/94/73/1069869473.db2.gz JQJXWEWFOWSYBL-ZWKOTPCHSA-N 2 1 407.559 -0.120 20 0 HBADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893035 1069869448 /nfs/dbraw/zinc/86/94/48/1069869448.db2.gz JQJXWEWFOWSYBL-ZWKOTPCHSA-N 2 1 407.559 -0.120 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872725 /nfs/dbraw/zinc/87/27/25/1069872725.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872706 /nfs/dbraw/zinc/87/27/06/1069872706.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872683 /nfs/dbraw/zinc/87/26/83/1069872683.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872662 /nfs/dbraw/zinc/87/26/62/1069872662.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872643 /nfs/dbraw/zinc/87/26/43/1069872643.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873887 /nfs/dbraw/zinc/87/38/87/1069873887.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873867 /nfs/dbraw/zinc/87/38/67/1069873867.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873850 /nfs/dbraw/zinc/87/38/50/1069873850.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873829 /nfs/dbraw/zinc/87/38/29/1069873829.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 1 424.590 -0.826 20 0 HBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873813 /nfs/dbraw/zinc/87/38/13/1069873813.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 1 424.590 -0.826 20 0 HBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000552899257 1069873600 /nfs/dbraw/zinc/87/36/00/1069873600.db2.gz NFWOLGGOYIYMBW-KRWDZBQOSA-N 2 1 416.526 -0.258 20 0 HBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000552899257 1069873580 /nfs/dbraw/zinc/87/35/80/1069873580.db2.gz NFWOLGGOYIYMBW-KRWDZBQOSA-N 2 1 416.526 -0.258 20 0 HBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000552899258 1069873426 /nfs/dbraw/zinc/87/34/26/1069873426.db2.gz NFWOLGGOYIYMBW-QGZVFWFLSA-N 2 1 416.526 -0.258 20 0 HBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000552899258 1069873404 /nfs/dbraw/zinc/87/34/04/1069873404.db2.gz NFWOLGGOYIYMBW-QGZVFWFLSA-N 2 1 416.526 -0.258 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000552901422 1069875763 /nfs/dbraw/zinc/87/57/63/1069875763.db2.gz MACBWCACELLVQN-INIZCTEOSA-N 2 1 409.531 -0.987 20 0 HBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000552901422 1069875747 /nfs/dbraw/zinc/87/57/47/1069875747.db2.gz MACBWCACELLVQN-INIZCTEOSA-N 2 1 409.531 -0.987 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000552901423 1069875413 /nfs/dbraw/zinc/87/54/13/1069875413.db2.gz MACBWCACELLVQN-MRXNPFEDSA-N 2 1 409.531 -0.987 20 0 HBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000552901423 1069875396 /nfs/dbraw/zinc/87/53/96/1069875396.db2.gz MACBWCACELLVQN-MRXNPFEDSA-N 2 1 409.531 -0.987 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901601 1069874593 /nfs/dbraw/zinc/87/45/93/1069874593.db2.gz PKZORCWFZFPXJO-BBWFWOEESA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901601 1069874584 /nfs/dbraw/zinc/87/45/84/1069874584.db2.gz PKZORCWFZFPXJO-BBWFWOEESA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901601 1069874565 /nfs/dbraw/zinc/87/45/65/1069874565.db2.gz PKZORCWFZFPXJO-BBWFWOEESA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552901602 1069874333 /nfs/dbraw/zinc/87/43/33/1069874333.db2.gz PKZORCWFZFPXJO-BRWVUGGUSA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901603 1069876003 /nfs/dbraw/zinc/87/60/03/1069876003.db2.gz PKZORCWFZFPXJO-IXDOHACOSA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901603 1069875974 /nfs/dbraw/zinc/87/59/74/1069875974.db2.gz PKZORCWFZFPXJO-IXDOHACOSA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901603 1069875949 /nfs/dbraw/zinc/87/59/49/1069875949.db2.gz PKZORCWFZFPXJO-IXDOHACOSA-N 2 1 411.547 -0.695 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552901604 1069875853 /nfs/dbraw/zinc/87/58/53/1069875853.db2.gz PKZORCWFZFPXJO-ZACQAIPSSA-N 2 1 411.547 -0.695 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000552901648 1069875661 /nfs/dbraw/zinc/87/56/61/1069875661.db2.gz QNHIURCWGTWRHB-GOSISDBHSA-N 2 1 423.558 -0.739 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000552901649 1069875480 /nfs/dbraw/zinc/87/54/80/1069875480.db2.gz QNHIURCWGTWRHB-SFHVURJKSA-N 2 1 423.558 -0.739 20 0 HBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000552930616 1069879508 /nfs/dbraw/zinc/87/95/08/1069879508.db2.gz JLPAWNUMWBWXIN-UHFFFAOYSA-N 2 1 418.546 -0.460 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000552931891 1069879887 /nfs/dbraw/zinc/87/98/87/1069879887.db2.gz BSLXWKTVEWKZBS-UHFFFAOYSA-N 2 1 411.547 -0.774 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000552937268 1069885671 /nfs/dbraw/zinc/88/56/71/1069885671.db2.gz BBYZZYRZMTYLHJ-BMHONFFRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000552937268 1069885640 /nfs/dbraw/zinc/88/56/40/1069885640.db2.gz BBYZZYRZMTYLHJ-BMHONFFRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000552937268 1069885607 /nfs/dbraw/zinc/88/56/07/1069885607.db2.gz BBYZZYRZMTYLHJ-BMHONFFRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000552937273 1069884633 /nfs/dbraw/zinc/88/46/33/1069884633.db2.gz BBYZZYRZMTYLHJ-COHPWVSRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000552937273 1069884605 /nfs/dbraw/zinc/88/46/05/1069884605.db2.gz BBYZZYRZMTYLHJ-COHPWVSRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000552937273 1069884582 /nfs/dbraw/zinc/88/45/82/1069884582.db2.gz BBYZZYRZMTYLHJ-COHPWVSRSA-N 2 1 421.586 -0.017 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000552937746 1069885814 /nfs/dbraw/zinc/88/58/14/1069885814.db2.gz MTTTYYPENYQWPM-GOSISDBHSA-N 2 1 423.558 -0.632 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000552937747 1069885039 /nfs/dbraw/zinc/88/50/39/1069885039.db2.gz MTTTYYPENYQWPM-SFHVURJKSA-N 2 1 423.558 -0.632 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000552938007 1069880798 /nfs/dbraw/zinc/88/07/98/1069880798.db2.gz WBZBOMFUDRMZLL-INIZCTEOSA-N 2 1 405.499 -0.034 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000552938008 1069881529 /nfs/dbraw/zinc/88/15/29/1069881529.db2.gz WBZBOMFUDRMZLL-MRXNPFEDSA-N 2 1 405.499 -0.034 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000553149442 1069917461 /nfs/dbraw/zinc/91/74/61/1069917461.db2.gz GKXHSFBPKLXMAY-GOSISDBHSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000553149442 1069917456 /nfs/dbraw/zinc/91/74/56/1069917456.db2.gz GKXHSFBPKLXMAY-GOSISDBHSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000553149442 1069917444 /nfs/dbraw/zinc/91/74/44/1069917444.db2.gz GKXHSFBPKLXMAY-GOSISDBHSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000553149443 1069917249 /nfs/dbraw/zinc/91/72/49/1069917249.db2.gz GKXHSFBPKLXMAY-SFHVURJKSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000553149443 1069917236 /nfs/dbraw/zinc/91/72/36/1069917236.db2.gz GKXHSFBPKLXMAY-SFHVURJKSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000553149443 1069917231 /nfs/dbraw/zinc/91/72/31/1069917231.db2.gz GKXHSFBPKLXMAY-SFHVURJKSA-N 2 1 424.590 -0.859 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000553149808 1069917354 /nfs/dbraw/zinc/91/73/54/1069917354.db2.gz KSISFMSBOHAJNG-GOSISDBHSA-N 2 1 423.558 -0.632 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000553149808 1069917344 /nfs/dbraw/zinc/91/73/44/1069917344.db2.gz KSISFMSBOHAJNG-GOSISDBHSA-N 2 1 423.558 -0.632 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000553149809 1069917147 /nfs/dbraw/zinc/91/71/47/1069917147.db2.gz KSISFMSBOHAJNG-SFHVURJKSA-N 2 1 423.558 -0.632 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000553149809 1069917134 /nfs/dbraw/zinc/91/71/34/1069917134.db2.gz KSISFMSBOHAJNG-SFHVURJKSA-N 2 1 423.558 -0.632 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150615 1069919216 /nfs/dbraw/zinc/91/92/16/1069919216.db2.gz YXUWIQCTODSBPE-MSOLQXFVSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150616 1069919306 /nfs/dbraw/zinc/91/93/06/1069919306.db2.gz YXUWIQCTODSBPE-QZTJIDSGSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150617 1069919416 /nfs/dbraw/zinc/91/94/16/1069919416.db2.gz YXUWIQCTODSBPE-ROUUACIJSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150618 1069918971 /nfs/dbraw/zinc/91/89/71/1069918971.db2.gz YXUWIQCTODSBPE-ZWKOTPCHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC(C)Nc1nc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc(NCCO)[nH+]1 ZINC000553171223 1069921745 /nfs/dbraw/zinc/92/17/45/1069921745.db2.gz RVRFUIHPIYLQQH-UHFFFAOYSA-N 2 1 406.579 -0.065 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000553373158 1069952687 /nfs/dbraw/zinc/95/26/87/1069952687.db2.gz PNDTWVOEKNGAEL-INIZCTEOSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553373158 1069952668 /nfs/dbraw/zinc/95/26/68/1069952668.db2.gz PNDTWVOEKNGAEL-INIZCTEOSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000553373159 1069952952 /nfs/dbraw/zinc/95/29/52/1069952952.db2.gz PNDTWVOEKNGAEL-MRXNPFEDSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553373159 1069952945 /nfs/dbraw/zinc/95/29/45/1069952945.db2.gz PNDTWVOEKNGAEL-MRXNPFEDSA-N 2 1 407.559 -0.012 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395235 1069955411 /nfs/dbraw/zinc/95/54/11/1069955411.db2.gz FBSBZLCIRNHIIN-CEXWTWQISA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395235 1069955409 /nfs/dbraw/zinc/95/54/09/1069955409.db2.gz FBSBZLCIRNHIIN-CEXWTWQISA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395235 1069955404 /nfs/dbraw/zinc/95/54/04/1069955404.db2.gz FBSBZLCIRNHIIN-CEXWTWQISA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395238 1069955316 /nfs/dbraw/zinc/95/53/16/1069955316.db2.gz FBSBZLCIRNHIIN-FHWLQOOXSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395240 1069955454 /nfs/dbraw/zinc/95/54/54/1069955454.db2.gz FBSBZLCIRNHIIN-OTWHNJEPSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395240 1069955449 /nfs/dbraw/zinc/95/54/49/1069955449.db2.gz FBSBZLCIRNHIIN-OTWHNJEPSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395240 1069955440 /nfs/dbraw/zinc/95/54/40/1069955440.db2.gz FBSBZLCIRNHIIN-OTWHNJEPSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000553395243 1069955582 /nfs/dbraw/zinc/95/55/82/1069955582.db2.gz FBSBZLCIRNHIIN-QRVBRYPASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397209 1069955261 /nfs/dbraw/zinc/95/52/61/1069955261.db2.gz NSAHSOGVBWSVQL-MSOLQXFVSA-N 2 1 418.542 -0.455 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397210 1069955214 /nfs/dbraw/zinc/95/52/14/1069955214.db2.gz NSAHSOGVBWSVQL-QZTJIDSGSA-N 2 1 418.542 -0.455 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397211 1069955482 /nfs/dbraw/zinc/95/54/82/1069955482.db2.gz NSAHSOGVBWSVQL-ROUUACIJSA-N 2 1 418.542 -0.455 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397212 1069955618 /nfs/dbraw/zinc/95/56/18/1069955618.db2.gz NSAHSOGVBWSVQL-ZWKOTPCHSA-N 2 1 418.542 -0.455 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC([NH+](CCOC)CCOC)CC2)CC1 ZINC000553414832 1069962682 /nfs/dbraw/zinc/96/26/82/1069962682.db2.gz NHZIJVDZRLHNMP-UHFFFAOYSA-N 2 1 413.563 -0.034 20 0 HBADMP CC(C)Nc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(NCCO)[nH+]1 ZINC000553510071 1069971269 /nfs/dbraw/zinc/97/12/69/1069971269.db2.gz RNKCTOGPQFEWEL-SJPCQFCGSA-N 2 1 404.563 -0.313 20 0 HBADMP CC(C)Nc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(NCCO)[nH+]1 ZINC000553510071 1069971263 /nfs/dbraw/zinc/97/12/63/1069971263.db2.gz RNKCTOGPQFEWEL-SJPCQFCGSA-N 2 1 404.563 -0.313 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000553527119 1069975431 /nfs/dbraw/zinc/97/54/31/1069975431.db2.gz PDZNUTXKMHEDGH-GOSISDBHSA-N 2 1 405.543 -0.352 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000553527120 1069975197 /nfs/dbraw/zinc/97/51/97/1069975197.db2.gz PDZNUTXKMHEDGH-SFHVURJKSA-N 2 1 405.543 -0.352 20 0 HBADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000553602127 1069983449 /nfs/dbraw/zinc/98/34/49/1069983449.db2.gz UPQXRFNCAWOSPZ-GOSISDBHSA-N 2 1 408.543 -0.072 20 0 HBADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000553602128 1069983696 /nfs/dbraw/zinc/98/36/96/1069983696.db2.gz UPQXRFNCAWOSPZ-SFHVURJKSA-N 2 1 408.543 -0.072 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000553735810 1069994836 /nfs/dbraw/zinc/99/48/36/1069994836.db2.gz ZWCRYIFAZQFKAY-GOSISDBHSA-N 2 1 409.575 -0.301 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000553735811 1069994676 /nfs/dbraw/zinc/99/46/76/1069994676.db2.gz ZWCRYIFAZQFKAY-SFHVURJKSA-N 2 1 409.575 -0.301 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000553760935 1069995380 /nfs/dbraw/zinc/99/53/80/1069995380.db2.gz OXTRHQPAODTNJA-KRWDZBQOSA-N 2 1 407.559 -0.155 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000553760936 1069995547 /nfs/dbraw/zinc/99/55/47/1069995547.db2.gz OXTRHQPAODTNJA-QGZVFWFLSA-N 2 1 407.559 -0.155 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553783710 1070000337 /nfs/dbraw/zinc/00/03/37/1070000337.db2.gz ZKHRNQBLVNWUGU-HOTGVXAUSA-N 2 1 411.547 -0.729 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000553783712 1070000130 /nfs/dbraw/zinc/00/01/30/1070000130.db2.gz ZKHRNQBLVNWUGU-HZPDHXFCSA-N 2 1 411.547 -0.729 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553783714 1070000480 /nfs/dbraw/zinc/00/04/80/1070000480.db2.gz ZKHRNQBLVNWUGU-IYBDPMFKSA-N 2 1 411.547 -0.729 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000553783714 1070000466 /nfs/dbraw/zinc/00/04/66/1070000466.db2.gz ZKHRNQBLVNWUGU-IYBDPMFKSA-N 2 1 411.547 -0.729 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1C ZINC000553834052 1070004866 /nfs/dbraw/zinc/00/48/66/1070004866.db2.gz CNIVBRHFGLSJIY-GOSISDBHSA-N 2 1 414.510 -0.015 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000553834052 1070004852 /nfs/dbraw/zinc/00/48/52/1070004852.db2.gz CNIVBRHFGLSJIY-GOSISDBHSA-N 2 1 414.510 -0.015 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1C ZINC000553834056 1070004789 /nfs/dbraw/zinc/00/47/89/1070004789.db2.gz CNIVBRHFGLSJIY-SFHVURJKSA-N 2 1 414.510 -0.015 20 0 HBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1C ZINC000553834056 1070004773 /nfs/dbraw/zinc/00/47/73/1070004773.db2.gz CNIVBRHFGLSJIY-SFHVURJKSA-N 2 1 414.510 -0.015 20 0 HBADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CCCC2)CC1 ZINC000553960953 1070017410 /nfs/dbraw/zinc/01/74/10/1070017410.db2.gz BEFMWJNOUKPWDX-KRWDZBQOSA-N 2 1 409.575 -0.112 20 0 HBADMP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CCCC2)CC1 ZINC000553960954 1070017585 /nfs/dbraw/zinc/01/75/85/1070017585.db2.gz BEFMWJNOUKPWDX-QGZVFWFLSA-N 2 1 409.575 -0.112 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000554043166 1070026394 /nfs/dbraw/zinc/02/63/94/1070026394.db2.gz JOXCZUMNKXCXRU-IBGZPJMESA-N 2 1 409.575 -0.301 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000554043167 1070027167 /nfs/dbraw/zinc/02/71/67/1070027167.db2.gz JOXCZUMNKXCXRU-LJQANCHMSA-N 2 1 409.575 -0.301 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000554105468 1070038313 /nfs/dbraw/zinc/03/83/13/1070038313.db2.gz VJDCEFVTBXBIAT-KRWDZBQOSA-N 2 1 411.547 -0.776 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000554105469 1070038994 /nfs/dbraw/zinc/03/89/94/1070038994.db2.gz VJDCEFVTBXBIAT-QGZVFWFLSA-N 2 1 411.547 -0.776 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000554106631 1070038871 /nfs/dbraw/zinc/03/88/71/1070038871.db2.gz OPQRZGNDDDBEQQ-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000554106632 1070038789 /nfs/dbraw/zinc/03/87/89/1070038789.db2.gz OPQRZGNDDDBEQQ-FUHWJXTLSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000554106633 1070039679 /nfs/dbraw/zinc/03/96/79/1070039679.db2.gz OPQRZGNDDDBEQQ-SJLPKXTDSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000554106634 1070039634 /nfs/dbraw/zinc/03/96/34/1070039634.db2.gz OPQRZGNDDDBEQQ-WMZOPIPTSA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554181717 1070053908 /nfs/dbraw/zinc/05/39/08/1070053908.db2.gz INWPCIXWINHGTK-GOSISDBHSA-N 2 1 411.591 -0.271 20 0 HBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554181719 1070053818 /nfs/dbraw/zinc/05/38/18/1070053818.db2.gz INWPCIXWINHGTK-SFHVURJKSA-N 2 1 411.591 -0.271 20 0 HBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000554183655 1070054094 /nfs/dbraw/zinc/05/40/94/1070054094.db2.gz NDMHCOLOMUGXCV-UHFFFAOYSA-N 2 1 401.471 -0.145 20 0 HBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554199936 1070057587 /nfs/dbraw/zinc/05/75/87/1070057587.db2.gz PCGADTYDMWSOTD-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554199936 1070057572 /nfs/dbraw/zinc/05/75/72/1070057572.db2.gz PCGADTYDMWSOTD-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554199936 1070057552 /nfs/dbraw/zinc/05/75/52/1070057552.db2.gz PCGADTYDMWSOTD-MOPGFXCFSA-N 2 1 409.575 -0.422 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554201447 1070058217 /nfs/dbraw/zinc/05/82/17/1070058217.db2.gz YXPNKGHXRLCICK-IBGZPJMESA-N 2 1 409.575 -0.421 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554201453 1070058120 /nfs/dbraw/zinc/05/81/20/1070058120.db2.gz YXPNKGHXRLCICK-LJQANCHMSA-N 2 1 409.575 -0.421 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000554201537 1070058264 /nfs/dbraw/zinc/05/82/64/1070058264.db2.gz ZXVCTYCDYYRBDP-FQEVSTJZSA-N 2 1 423.602 -0.030 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000554201538 1070058428 /nfs/dbraw/zinc/05/84/28/1070058428.db2.gz ZXVCTYCDYYRBDP-HXUWFJFHSA-N 2 1 423.602 -0.030 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000554342515 1070074530 /nfs/dbraw/zinc/07/45/30/1070074530.db2.gz GRJGPQLPAQSLNC-KRWDZBQOSA-N 2 1 424.590 -0.909 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000554342516 1070074256 /nfs/dbraw/zinc/07/42/56/1070074256.db2.gz GRJGPQLPAQSLNC-QGZVFWFLSA-N 2 1 424.590 -0.909 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400448 1070081553 /nfs/dbraw/zinc/08/15/53/1070081553.db2.gz HKFMTBBKTCSRKY-GDBMZVCRSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400448 1070081534 /nfs/dbraw/zinc/08/15/34/1070081534.db2.gz HKFMTBBKTCSRKY-GDBMZVCRSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400449 1070081442 /nfs/dbraw/zinc/08/14/42/1070081442.db2.gz HKFMTBBKTCSRKY-GOEBONIOSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400449 1070081426 /nfs/dbraw/zinc/08/14/26/1070081426.db2.gz HKFMTBBKTCSRKY-GOEBONIOSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400450 1070081359 /nfs/dbraw/zinc/08/13/59/1070081359.db2.gz HKFMTBBKTCSRKY-HOCLYGCPSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400450 1070081340 /nfs/dbraw/zinc/08/13/40/1070081340.db2.gz HKFMTBBKTCSRKY-HOCLYGCPSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400451 1070081629 /nfs/dbraw/zinc/08/16/29/1070081629.db2.gz HKFMTBBKTCSRKY-ZBFHGGJFSA-N 2 1 400.545 -0.141 20 0 HBADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000554400451 1070081610 /nfs/dbraw/zinc/08/16/10/1070081610.db2.gz HKFMTBBKTCSRKY-ZBFHGGJFSA-N 2 1 400.545 -0.141 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000554437685 1070083380 /nfs/dbraw/zinc/08/33/80/1070083380.db2.gz MVIGUXNYCIFIHR-UHFFFAOYSA-N 2 1 423.602 -0.030 20 0 HBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000554437685 1070083363 /nfs/dbraw/zinc/08/33/63/1070083363.db2.gz MVIGUXNYCIFIHR-UHFFFAOYSA-N 2 1 423.602 -0.030 20 0 HBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000554437685 1070083346 /nfs/dbraw/zinc/08/33/46/1070083346.db2.gz MVIGUXNYCIFIHR-UHFFFAOYSA-N 2 1 423.602 -0.030 20 0 HBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554772 1070092106 /nfs/dbraw/zinc/09/21/06/1070092106.db2.gz GCVGIXDMKOHMRR-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554773 1070091932 /nfs/dbraw/zinc/09/19/32/1070091932.db2.gz GCVGIXDMKOHMRR-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000554716167 1070114226 /nfs/dbraw/zinc/11/42/26/1070114226.db2.gz HZJTZMBYJIXSIB-INIZCTEOSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000554716167 1070114224 /nfs/dbraw/zinc/11/42/24/1070114224.db2.gz HZJTZMBYJIXSIB-INIZCTEOSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000554716168 1070114257 /nfs/dbraw/zinc/11/42/57/1070114257.db2.gz HZJTZMBYJIXSIB-MRXNPFEDSA-N 2 1 421.542 -0.058 20 0 HBADMP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000554716168 1070114255 /nfs/dbraw/zinc/11/42/55/1070114255.db2.gz HZJTZMBYJIXSIB-MRXNPFEDSA-N 2 1 421.542 -0.058 20 0 HBADMP CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000554722965 1070114201 /nfs/dbraw/zinc/11/42/01/1070114201.db2.gz JSRFHBZGQRJPHJ-KRWDZBQOSA-N 2 1 411.576 -0.021 20 0 HBADMP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000554722966 1070114171 /nfs/dbraw/zinc/11/41/71/1070114171.db2.gz JSRFHBZGQRJPHJ-QGZVFWFLSA-N 2 1 411.576 -0.021 20 0 HBADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000555167511 1070175108 /nfs/dbraw/zinc/17/51/08/1070175108.db2.gz FIWXLQGRQSRPCI-INIZCTEOSA-N 2 1 404.581 -0.466 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000555729207 1070234120 /nfs/dbraw/zinc/23/41/20/1070234120.db2.gz OVWQUUPWFYPMLG-GOSISDBHSA-N 2 1 423.558 -0.774 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000555729208 1070234227 /nfs/dbraw/zinc/23/42/27/1070234227.db2.gz OVWQUUPWFYPMLG-SFHVURJKSA-N 2 1 423.558 -0.774 20 0 HBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555734048 1070235530 /nfs/dbraw/zinc/23/55/30/1070235530.db2.gz COBBXHUDSSTITJ-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000555734049 1070235644 /nfs/dbraw/zinc/23/56/44/1070235644.db2.gz COBBXHUDSSTITJ-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000555754096 1070237225 /nfs/dbraw/zinc/23/72/25/1070237225.db2.gz LODQSVWWAXERBQ-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000555915151 1070258610 /nfs/dbraw/zinc/25/86/10/1070258610.db2.gz BEXZNXIDMKLBOE-KRWDZBQOSA-N 2 1 415.542 -0.129 20 0 HBADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000555915151 1070258590 /nfs/dbraw/zinc/25/85/90/1070258590.db2.gz BEXZNXIDMKLBOE-KRWDZBQOSA-N 2 1 415.542 -0.129 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000555915152 1070258740 /nfs/dbraw/zinc/25/87/40/1070258740.db2.gz BEXZNXIDMKLBOE-QGZVFWFLSA-N 2 1 415.542 -0.129 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000555915152 1070258726 /nfs/dbraw/zinc/25/87/26/1070258726.db2.gz BEXZNXIDMKLBOE-QGZVFWFLSA-N 2 1 415.542 -0.129 20 0 HBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000555915197 1070258880 /nfs/dbraw/zinc/25/88/80/1070258880.db2.gz CPZUNGQXRKEKMT-GOSISDBHSA-N 2 1 417.558 -0.047 20 0 HBADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000555915197 1070258870 /nfs/dbraw/zinc/25/88/70/1070258870.db2.gz CPZUNGQXRKEKMT-GOSISDBHSA-N 2 1 417.558 -0.047 20 0 HBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000555915198 1070259023 /nfs/dbraw/zinc/25/90/23/1070259023.db2.gz CPZUNGQXRKEKMT-SFHVURJKSA-N 2 1 417.558 -0.047 20 0 HBADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000555915198 1070259011 /nfs/dbraw/zinc/25/90/11/1070259011.db2.gz CPZUNGQXRKEKMT-SFHVURJKSA-N 2 1 417.558 -0.047 20 0 HBADMP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000555918306 1070260659 /nfs/dbraw/zinc/26/06/59/1070260659.db2.gz SWKOLBUHFFBAPS-GOSISDBHSA-N 2 1 415.542 -0.200 20 0 HBADMP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555918306 1070260649 /nfs/dbraw/zinc/26/06/49/1070260649.db2.gz SWKOLBUHFFBAPS-GOSISDBHSA-N 2 1 415.542 -0.200 20 0 HBADMP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000555918307 1070260885 /nfs/dbraw/zinc/26/08/85/1070260885.db2.gz SWKOLBUHFFBAPS-SFHVURJKSA-N 2 1 415.542 -0.200 20 0 HBADMP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555918307 1070260875 /nfs/dbraw/zinc/26/08/75/1070260875.db2.gz SWKOLBUHFFBAPS-SFHVURJKSA-N 2 1 415.542 -0.200 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000555921595 1070257172 /nfs/dbraw/zinc/25/71/72/1070257172.db2.gz MTCXEQRIVQGORO-IBGZPJMESA-N 2 1 411.591 -0.008 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000555921596 1070257372 /nfs/dbraw/zinc/25/73/72/1070257372.db2.gz MTCXEQRIVQGORO-LJQANCHMSA-N 2 1 411.591 -0.008 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000555965606 1070268909 /nfs/dbraw/zinc/26/89/09/1070268909.db2.gz RMXWOYBRQVRUCE-UHFFFAOYSA-N 2 1 424.590 -0.859 20 0 HBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)cn2)CC1 ZINC000556052289 1071860947 /nfs/dbraw/zinc/86/09/47/1071860947.db2.gz DKPBQHFGJLEWSR-GOSISDBHSA-N 2 1 418.542 -0.323 20 0 HBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CCOC)C3)cn2)CC1 ZINC000556052291 1071860715 /nfs/dbraw/zinc/86/07/15/1071860715.db2.gz DKPBQHFGJLEWSR-SFHVURJKSA-N 2 1 418.542 -0.323 20 0 HBADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556075822 1071865723 /nfs/dbraw/zinc/86/57/23/1071865723.db2.gz GFKWXTIEAWMZGO-UHFFFAOYSA-N 2 1 411.547 -0.774 20 0 HBADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556076576 1071865609 /nfs/dbraw/zinc/86/56/09/1071865609.db2.gz PWMJHZOOHUYEHQ-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556076576 1071865602 /nfs/dbraw/zinc/86/56/02/1071865602.db2.gz PWMJHZOOHUYEHQ-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556076579 1071865524 /nfs/dbraw/zinc/86/55/24/1071865524.db2.gz PWMJHZOOHUYEHQ-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556076579 1071865503 /nfs/dbraw/zinc/86/55/03/1071865503.db2.gz PWMJHZOOHUYEHQ-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100092 1071874546 /nfs/dbraw/zinc/87/45/46/1071874546.db2.gz BASLPWSGFOKNSG-PMACEKPBSA-N 2 1 416.570 -0.547 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100093 1071874872 /nfs/dbraw/zinc/87/48/72/1071874872.db2.gz BASLPWSGFOKNSG-UXHICEINSA-N 2 1 416.570 -0.547 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100094 1071874789 /nfs/dbraw/zinc/87/47/89/1071874789.db2.gz BASLPWSGFOKNSG-VQTJNVASSA-N 2 1 416.570 -0.547 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100095 1071874662 /nfs/dbraw/zinc/87/46/62/1071874662.db2.gz BASLPWSGFOKNSG-WOJBJXKFSA-N 2 1 416.570 -0.547 20 0 HBADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556100324 1071874633 /nfs/dbraw/zinc/87/46/33/1071874633.db2.gz DIJZHDRRLUSSDA-GOSISDBHSA-N 2 1 403.527 -0.444 20 0 HBADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556100325 1071874845 /nfs/dbraw/zinc/87/48/45/1071874845.db2.gz DIJZHDRRLUSSDA-SFHVURJKSA-N 2 1 403.527 -0.444 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000556102384 1071876253 /nfs/dbraw/zinc/87/62/53/1071876253.db2.gz CJDRLZCQACBZSK-MSOLQXFVSA-N 2 1 423.558 -0.849 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000556102385 1071877101 /nfs/dbraw/zinc/87/71/01/1071877101.db2.gz CJDRLZCQACBZSK-QZTJIDSGSA-N 2 1 423.558 -0.849 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000556102386 1071877052 /nfs/dbraw/zinc/87/70/52/1071877052.db2.gz CJDRLZCQACBZSK-ROUUACIJSA-N 2 1 423.558 -0.849 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000556102387 1071876921 /nfs/dbraw/zinc/87/69/21/1071876921.db2.gz CJDRLZCQACBZSK-ZWKOTPCHSA-N 2 1 423.558 -0.849 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556170835 1071889286 /nfs/dbraw/zinc/88/92/86/1071889286.db2.gz OIHOHRXHMAESHJ-UHFFFAOYSA-N 2 1 410.607 -0.338 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556170835 1071889279 /nfs/dbraw/zinc/88/92/79/1071889279.db2.gz OIHOHRXHMAESHJ-UHFFFAOYSA-N 2 1 410.607 -0.338 20 0 HBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556170835 1071889269 /nfs/dbraw/zinc/88/92/69/1071889269.db2.gz OIHOHRXHMAESHJ-UHFFFAOYSA-N 2 1 410.607 -0.338 20 0 HBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172524 1071889350 /nfs/dbraw/zinc/88/93/50/1071889350.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172524 1071889347 /nfs/dbraw/zinc/88/93/47/1071889347.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172524 1071889341 /nfs/dbraw/zinc/88/93/41/1071889341.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172525 1071889524 /nfs/dbraw/zinc/88/95/24/1071889524.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172525 1071889521 /nfs/dbraw/zinc/88/95/21/1071889521.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172525 1071889513 /nfs/dbraw/zinc/88/95/13/1071889513.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556205905 1071897358 /nfs/dbraw/zinc/89/73/58/1071897358.db2.gz IENFKQPRPVMRHA-IBGZPJMESA-N 2 1 413.588 -0.353 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556205910 1071897282 /nfs/dbraw/zinc/89/72/82/1071897282.db2.gz IENFKQPRPVMRHA-LJQANCHMSA-N 2 1 413.588 -0.353 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355215 1071918948 /nfs/dbraw/zinc/91/89/48/1071918948.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355215 1071918942 /nfs/dbraw/zinc/91/89/42/1071918942.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355215 1071918937 /nfs/dbraw/zinc/91/89/37/1071918937.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355220 1071919076 /nfs/dbraw/zinc/91/90/76/1071919076.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355220 1071919070 /nfs/dbraw/zinc/91/90/70/1071919070.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355220 1071919061 /nfs/dbraw/zinc/91/90/61/1071919061.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355221 1071918810 /nfs/dbraw/zinc/91/88/10/1071918810.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355221 1071918803 /nfs/dbraw/zinc/91/88/03/1071918803.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355221 1071918799 /nfs/dbraw/zinc/91/87/99/1071918799.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355222 1071918863 /nfs/dbraw/zinc/91/88/63/1071918863.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000556355222 1071918859 /nfs/dbraw/zinc/91/88/59/1071918859.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355222 1071918854 /nfs/dbraw/zinc/91/88/54/1071918854.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000556356569 1071917030 /nfs/dbraw/zinc/91/70/30/1071917030.db2.gz LXUVTLSPZMKTFL-HOJAQTOUSA-N 2 1 423.602 -0.130 20 0 HBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000556356574 1071917081 /nfs/dbraw/zinc/91/70/81/1071917081.db2.gz LXUVTLSPZMKTFL-MISYRCLQSA-N 2 1 423.602 -0.130 20 0 HBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000556356575 1071917293 /nfs/dbraw/zinc/91/72/93/1071917293.db2.gz LXUVTLSPZMKTFL-RLLQIKCJSA-N 2 1 423.602 -0.130 20 0 HBADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000556356576 1071917205 /nfs/dbraw/zinc/91/72/05/1071917205.db2.gz LXUVTLSPZMKTFL-YZGWKJHDSA-N 2 1 423.602 -0.130 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556361127 1071920848 /nfs/dbraw/zinc/92/08/48/1071920848.db2.gz DZLGECKVQWEHMR-MSOLQXFVSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556361127 1071920840 /nfs/dbraw/zinc/92/08/40/1071920840.db2.gz DZLGECKVQWEHMR-MSOLQXFVSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556361131 1071920962 /nfs/dbraw/zinc/92/09/62/1071920962.db2.gz DZLGECKVQWEHMR-QZTJIDSGSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556361131 1071920957 /nfs/dbraw/zinc/92/09/57/1071920957.db2.gz DZLGECKVQWEHMR-QZTJIDSGSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556361133 1071920903 /nfs/dbraw/zinc/92/09/03/1071920903.db2.gz DZLGECKVQWEHMR-ROUUACIJSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556361133 1071920895 /nfs/dbraw/zinc/92/08/95/1071920895.db2.gz DZLGECKVQWEHMR-ROUUACIJSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556361136 1071920998 /nfs/dbraw/zinc/92/09/98/1071920998.db2.gz DZLGECKVQWEHMR-ZWKOTPCHSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556361136 1071920994 /nfs/dbraw/zinc/92/09/94/1071920994.db2.gz DZLGECKVQWEHMR-ZWKOTPCHSA-N 2 1 415.542 -0.152 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556641331 1071975572 /nfs/dbraw/zinc/97/55/72/1071975572.db2.gz XNVGZGLESDRJBS-IBGZPJMESA-N 2 1 417.554 -0.056 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000556641332 1071975656 /nfs/dbraw/zinc/97/56/56/1071975656.db2.gz XNVGZGLESDRJBS-LJQANCHMSA-N 2 1 417.554 -0.056 20 0 HBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[NH+]3CCOCC3)cn2)CC1 ZINC000557040667 1072029618 /nfs/dbraw/zinc/02/96/18/1072029618.db2.gz IKRKQENVLSYAAP-UHFFFAOYSA-N 2 1 418.542 -0.322 20 0 HBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000557085450 1072034603 /nfs/dbraw/zinc/03/46/03/1072034603.db2.gz ZOZKXVINBBXDGS-UHFFFAOYSA-N 2 1 407.559 -0.153 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000559562435 1068664029 /nfs/dbraw/zinc/66/40/29/1068664029.db2.gz WZACCAQFKLYUGP-QGZVFWFLSA-N 2 1 404.515 -0.714 20 0 HBADMP C[NH+]1CCC(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559605141 1068667355 /nfs/dbraw/zinc/66/73/55/1068667355.db2.gz FSHUCOWXCYRACX-UHFFFAOYSA-N 2 1 417.558 -0.047 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000559900466 1068685208 /nfs/dbraw/zinc/68/52/08/1068685208.db2.gz KCWVPZLDAHKTII-GOSISDBHSA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000559900466 1068685194 /nfs/dbraw/zinc/68/51/94/1068685194.db2.gz KCWVPZLDAHKTII-GOSISDBHSA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000559900467 1068685377 /nfs/dbraw/zinc/68/53/77/1068685377.db2.gz KCWVPZLDAHKTII-SFHVURJKSA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000559900467 1068685373 /nfs/dbraw/zinc/68/53/73/1068685373.db2.gz KCWVPZLDAHKTII-SFHVURJKSA-N 2 1 419.570 -0.010 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903633 1068685235 /nfs/dbraw/zinc/68/52/35/1068685235.db2.gz JMEHXCJCHHYOLQ-GOSISDBHSA-N 2 1 405.543 -0.258 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903634 1068685308 /nfs/dbraw/zinc/68/53/08/1068685308.db2.gz JMEHXCJCHHYOLQ-SFHVURJKSA-N 2 1 405.543 -0.258 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000560884883 1068738687 /nfs/dbraw/zinc/73/86/87/1068738687.db2.gz OTOQHTBVFYCENP-CEXWTWQISA-N 2 1 409.575 -0.445 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000561998051 1068823454 /nfs/dbraw/zinc/82/34/54/1068823454.db2.gz BEFZUFCZCQBZGE-SFHVURJKSA-N 2 1 405.543 -0.114 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@H](CC(C)(C)C)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000564330540 1072062254 /nfs/dbraw/zinc/06/22/54/1072062254.db2.gz OLBZZLHIHHIFJA-CZAAIQMYSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@H](CC(C)(C)C)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000564330540 1072062239 /nfs/dbraw/zinc/06/22/39/1072062239.db2.gz OLBZZLHIHHIFJA-CZAAIQMYSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)C)C1 ZINC000564330540 1072062226 /nfs/dbraw/zinc/06/22/26/1072062226.db2.gz OLBZZLHIHHIFJA-CZAAIQMYSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@@H](CC(C)(C)C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000564330542 1072062544 /nfs/dbraw/zinc/06/25/44/1072062544.db2.gz OLBZZLHIHHIFJA-ORYQWCPZSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@@H](CC(C)(C)C)C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000564330542 1072062537 /nfs/dbraw/zinc/06/25/37/1072062537.db2.gz OLBZZLHIHHIFJA-ORYQWCPZSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)C)C1 ZINC000564330542 1072062529 /nfs/dbraw/zinc/06/25/29/1072062529.db2.gz OLBZZLHIHHIFJA-ORYQWCPZSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@H](CC(C)(C)C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000564330543 1072062398 /nfs/dbraw/zinc/06/23/98/1072062398.db2.gz OLBZZLHIHHIFJA-TYCQWZJGSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@](O)(CNC(=O)C[C@H](CC(C)(C)C)C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000564330543 1072062385 /nfs/dbraw/zinc/06/23/85/1072062385.db2.gz OLBZZLHIHHIFJA-TYCQWZJGSA-N 2 1 412.575 -0.206 20 0 HBADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)C)C1 ZINC000564330543 1072062375 /nfs/dbraw/zinc/06/23/75/1072062375.db2.gz OLBZZLHIHHIFJA-TYCQWZJGSA-N 2 1 412.575 -0.206 20 0 HBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000564343531 1072074753 /nfs/dbraw/zinc/07/47/53/1072074753.db2.gz PQSOVGFXHNNPIK-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000570114767 1068950397 /nfs/dbraw/zinc/95/03/97/1068950397.db2.gz APYNYHCHSGUDDD-GUDVDZBRSA-N 2 1 409.575 -0.302 20 0 HBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000570181884 1068952157 /nfs/dbraw/zinc/95/21/57/1068952157.db2.gz PGZIRLNYXJKKSL-KRWDZBQOSA-N 2 1 411.547 -0.728 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000570308446 1068958912 /nfs/dbraw/zinc/95/89/12/1068958912.db2.gz NBIIEQZROSTELK-SFHVURJKSA-N 2 1 424.590 -0.813 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000570308446 1068958896 /nfs/dbraw/zinc/95/88/96/1068958896.db2.gz NBIIEQZROSTELK-SFHVURJKSA-N 2 1 424.590 -0.813 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000570308446 1068958886 /nfs/dbraw/zinc/95/88/86/1068958886.db2.gz NBIIEQZROSTELK-SFHVURJKSA-N 2 1 424.590 -0.813 20 0 HBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000570472228 1068966733 /nfs/dbraw/zinc/96/67/33/1068966733.db2.gz IAEBNEMZPUSNED-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000570472228 1068966721 /nfs/dbraw/zinc/96/67/21/1068966721.db2.gz IAEBNEMZPUSNED-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570973782 1070710932 /nfs/dbraw/zinc/71/09/32/1070710932.db2.gz CVGITUOFKCCPOD-KRWDZBQOSA-N 2 1 407.559 -0.010 20 0 HBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570973784 1070710324 /nfs/dbraw/zinc/71/03/24/1070710324.db2.gz CVGITUOFKCCPOD-QGZVFWFLSA-N 2 1 407.559 -0.010 20 0 HBADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000571311187 1070716640 /nfs/dbraw/zinc/71/66/40/1070716640.db2.gz WDEMPBGTKYGCDM-IBGZPJMESA-N 2 1 411.591 -0.055 20 0 HBADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000571311187 1070716630 /nfs/dbraw/zinc/71/66/30/1070716630.db2.gz WDEMPBGTKYGCDM-IBGZPJMESA-N 2 1 411.591 -0.055 20 0 HBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000571311187 1070716614 /nfs/dbraw/zinc/71/66/14/1070716614.db2.gz WDEMPBGTKYGCDM-IBGZPJMESA-N 2 1 411.591 -0.055 20 0 HBADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000571311188 1070716841 /nfs/dbraw/zinc/71/68/41/1070716841.db2.gz WDEMPBGTKYGCDM-LJQANCHMSA-N 2 1 411.591 -0.055 20 0 HBADMP COCC[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000571311188 1070716834 /nfs/dbraw/zinc/71/68/34/1070716834.db2.gz WDEMPBGTKYGCDM-LJQANCHMSA-N 2 1 411.591 -0.055 20 0 HBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000571311188 1070716826 /nfs/dbraw/zinc/71/68/26/1070716826.db2.gz WDEMPBGTKYGCDM-LJQANCHMSA-N 2 1 411.591 -0.055 20 0 HBADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000571943838 1070740125 /nfs/dbraw/zinc/74/01/25/1070740125.db2.gz HCIDAWVJPVGJBS-UHFFFAOYSA-N 2 1 417.558 -0.095 20 0 HBADMP CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000573271704 1070862885 /nfs/dbraw/zinc/86/28/85/1070862885.db2.gz XGZMCNIAQGKSLH-UHFFFAOYSA-N 2 1 419.526 -0.016 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573359137 1070865211 /nfs/dbraw/zinc/86/52/11/1070865211.db2.gz RNGAJBLRDZZTPP-PMACEKPBSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573359137 1070865183 /nfs/dbraw/zinc/86/51/83/1070865183.db2.gz RNGAJBLRDZZTPP-PMACEKPBSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573359141 1070865631 /nfs/dbraw/zinc/86/56/31/1070865631.db2.gz RNGAJBLRDZZTPP-UXHICEINSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573359141 1070865610 /nfs/dbraw/zinc/86/56/10/1070865610.db2.gz RNGAJBLRDZZTPP-UXHICEINSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573359143 1070864938 /nfs/dbraw/zinc/86/49/38/1070864938.db2.gz RNGAJBLRDZZTPP-VQTJNVASSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573359143 1070864916 /nfs/dbraw/zinc/86/49/16/1070864916.db2.gz RNGAJBLRDZZTPP-VQTJNVASSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573359145 1070865438 /nfs/dbraw/zinc/86/54/38/1070865438.db2.gz RNGAJBLRDZZTPP-WOJBJXKFSA-N 2 1 423.602 -0.035 20 0 HBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573359145 1070865419 /nfs/dbraw/zinc/86/54/19/1070865419.db2.gz RNGAJBLRDZZTPP-WOJBJXKFSA-N 2 1 423.602 -0.035 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000574083485 1070904367 /nfs/dbraw/zinc/90/43/67/1070904367.db2.gz JEDQHPLVQDAXAE-DLBZAZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000574083485 1070904358 /nfs/dbraw/zinc/90/43/58/1070904358.db2.gz JEDQHPLVQDAXAE-DLBZAZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083485 1070904350 /nfs/dbraw/zinc/90/43/50/1070904350.db2.gz JEDQHPLVQDAXAE-DLBZAZTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000574083489 1070903989 /nfs/dbraw/zinc/90/39/89/1070903989.db2.gz JEDQHPLVQDAXAE-IAGOWNOFSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000574083489 1070903977 /nfs/dbraw/zinc/90/39/77/1070903977.db2.gz JEDQHPLVQDAXAE-IAGOWNOFSA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083489 1070903971 /nfs/dbraw/zinc/90/39/71/1070903971.db2.gz JEDQHPLVQDAXAE-IAGOWNOFSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000574083491 1070904232 /nfs/dbraw/zinc/90/42/32/1070904232.db2.gz JEDQHPLVQDAXAE-IRXDYDNUSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000574083491 1070904223 /nfs/dbraw/zinc/90/42/23/1070904223.db2.gz JEDQHPLVQDAXAE-IRXDYDNUSA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083491 1070904210 /nfs/dbraw/zinc/90/42/10/1070904210.db2.gz JEDQHPLVQDAXAE-IRXDYDNUSA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000574083601 1070904325 /nfs/dbraw/zinc/90/43/25/1070904325.db2.gz JEDQHPLVQDAXAE-SJORKVTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000574083601 1070904311 /nfs/dbraw/zinc/90/43/11/1070904311.db2.gz JEDQHPLVQDAXAE-SJORKVTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083601 1070904303 /nfs/dbraw/zinc/90/43/03/1070904303.db2.gz JEDQHPLVQDAXAE-SJORKVTESA-N 2 1 407.559 -0.012 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000574419614 1070921940 /nfs/dbraw/zinc/92/19/40/1070921940.db2.gz MWBQIMBCVCRODP-IBGZPJMESA-N 2 1 405.503 -0.946 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000574419615 1070922252 /nfs/dbraw/zinc/92/22/52/1070922252.db2.gz MWBQIMBCVCRODP-LJQANCHMSA-N 2 1 405.503 -0.946 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579344 1070932962 /nfs/dbraw/zinc/93/29/62/1070932962.db2.gz DBPDKZFFZLKNCP-MOPGFXCFSA-N 2 1 411.591 -0.151 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579345 1070933421 /nfs/dbraw/zinc/93/34/21/1070933421.db2.gz DBPDKZFFZLKNCP-OALUTQOASA-N 2 1 411.591 -0.151 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579346 1070933267 /nfs/dbraw/zinc/93/32/67/1070933267.db2.gz DBPDKZFFZLKNCP-RBUKOAKNSA-N 2 1 411.591 -0.151 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579347 1070932852 /nfs/dbraw/zinc/93/28/52/1070932852.db2.gz DBPDKZFFZLKNCP-RTBURBONSA-N 2 1 411.591 -0.151 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000580100716 1068373184 /nfs/dbraw/zinc/37/31/84/1068373184.db2.gz NIYGLARPERSRRS-IBGZPJMESA-N 2 1 411.591 -0.056 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000580100717 1068373532 /nfs/dbraw/zinc/37/35/32/1068373532.db2.gz NIYGLARPERSRRS-LJQANCHMSA-N 2 1 411.591 -0.056 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104376 1068375472 /nfs/dbraw/zinc/37/54/72/1068375472.db2.gz NZNHOQLZSFGDAP-MSOLQXFVSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104376 1068375458 /nfs/dbraw/zinc/37/54/58/1068375458.db2.gz NZNHOQLZSFGDAP-MSOLQXFVSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104377 1068375106 /nfs/dbraw/zinc/37/51/06/1068375106.db2.gz NZNHOQLZSFGDAP-QZTJIDSGSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104377 1068375086 /nfs/dbraw/zinc/37/50/86/1068375086.db2.gz NZNHOQLZSFGDAP-QZTJIDSGSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104378 1068375607 /nfs/dbraw/zinc/37/56/07/1068375607.db2.gz NZNHOQLZSFGDAP-ROUUACIJSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000580104378 1068375592 /nfs/dbraw/zinc/37/55/92/1068375592.db2.gz NZNHOQLZSFGDAP-ROUUACIJSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104379 1068375333 /nfs/dbraw/zinc/37/53/33/1068375333.db2.gz NZNHOQLZSFGDAP-ZWKOTPCHSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000580104379 1068375321 /nfs/dbraw/zinc/37/53/21/1068375321.db2.gz NZNHOQLZSFGDAP-ZWKOTPCHSA-N 2 1 405.543 -0.258 20 0 HBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000580350926 1068390952 /nfs/dbraw/zinc/39/09/52/1068390952.db2.gz JQFRCNSSCAYWGJ-UHFFFAOYSA-N 2 1 417.558 -0.047 20 0 HBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCSC1 ZINC000580471520 1068403700 /nfs/dbraw/zinc/40/37/00/1068403700.db2.gz VUTKENOOCHXLTH-BEFAXECRSA-N 2 1 411.572 -0.695 20 0 HBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCSC1 ZINC000580471521 1068403869 /nfs/dbraw/zinc/40/38/69/1068403869.db2.gz VUTKENOOCHXLTH-DNVCBOLYSA-N 2 1 411.572 -0.695 20 0 HBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCSC1 ZINC000580471522 1069327326 /nfs/dbraw/zinc/32/73/26/1069327326.db2.gz VUTKENOOCHXLTH-HNAYVOBHSA-N 2 1 411.572 -0.695 20 0 HBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCSC1 ZINC000580471523 1068403576 /nfs/dbraw/zinc/40/35/76/1068403576.db2.gz VUTKENOOCHXLTH-KXBFYZLASA-N 2 1 411.572 -0.695 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580897655 1068439655 /nfs/dbraw/zinc/43/96/55/1068439655.db2.gz QJOFMBNWXUMSEP-CRAIPNDOSA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897655 1068439652 /nfs/dbraw/zinc/43/96/52/1068439652.db2.gz QJOFMBNWXUMSEP-CRAIPNDOSA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580897661 1068439542 /nfs/dbraw/zinc/43/95/42/1068439542.db2.gz QJOFMBNWXUMSEP-MAUKXSAKSA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897661 1068439536 /nfs/dbraw/zinc/43/95/36/1068439536.db2.gz QJOFMBNWXUMSEP-MAUKXSAKSA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580897662 1068439445 /nfs/dbraw/zinc/43/94/45/1068439445.db2.gz QJOFMBNWXUMSEP-QAPCUYQASA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897662 1068439438 /nfs/dbraw/zinc/43/94/38/1068439438.db2.gz QJOFMBNWXUMSEP-QAPCUYQASA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000580897663 1068439617 /nfs/dbraw/zinc/43/96/17/1068439617.db2.gz QJOFMBNWXUMSEP-YJBOKZPZSA-N 2 1 405.543 -0.212 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000580897663 1068439610 /nfs/dbraw/zinc/43/96/10/1068439610.db2.gz QJOFMBNWXUMSEP-YJBOKZPZSA-N 2 1 405.543 -0.212 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000581386778 1068484292 /nfs/dbraw/zinc/48/42/92/1068484292.db2.gz MWSTWYMEPLWOJX-GOSISDBHSA-N 2 1 405.543 -0.005 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000581386779 1068484410 /nfs/dbraw/zinc/48/44/10/1068484410.db2.gz MWSTWYMEPLWOJX-SFHVURJKSA-N 2 1 405.543 -0.005 20 0 HBADMP C[N@@H+](CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000581442421 1068490877 /nfs/dbraw/zinc/49/08/77/1068490877.db2.gz DSAVWJWMXNWHDZ-UHFFFAOYSA-N 2 1 403.527 -0.095 20 0 HBADMP C[N@H+](CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000581442421 1068490870 /nfs/dbraw/zinc/49/08/70/1068490870.db2.gz DSAVWJWMXNWHDZ-UHFFFAOYSA-N 2 1 403.527 -0.095 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561883 1068498062 /nfs/dbraw/zinc/49/80/62/1068498062.db2.gz OOPODAJWXBLEDU-IBGZPJMESA-N 2 1 411.591 -0.056 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561884 1068498030 /nfs/dbraw/zinc/49/80/30/1068498030.db2.gz OOPODAJWXBLEDU-LJQANCHMSA-N 2 1 411.591 -0.056 20 0 HBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599484 1068501222 /nfs/dbraw/zinc/50/12/22/1068501222.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599484 1068501211 /nfs/dbraw/zinc/50/12/11/1068501211.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599484 1068501201 /nfs/dbraw/zinc/50/12/01/1068501201.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599485 1068501488 /nfs/dbraw/zinc/50/14/88/1068501488.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599485 1068501472 /nfs/dbraw/zinc/50/14/72/1068501472.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599485 1068501454 /nfs/dbraw/zinc/50/14/54/1068501454.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599486 1068501615 /nfs/dbraw/zinc/50/16/15/1068501615.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599486 1068501606 /nfs/dbraw/zinc/50/16/06/1068501606.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599486 1068501594 /nfs/dbraw/zinc/50/15/94/1068501594.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599487 1068501332 /nfs/dbraw/zinc/50/13/32/1068501332.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000581599487 1068501323 /nfs/dbraw/zinc/50/13/23/1068501323.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 2 1 409.575 -0.565 20 0 HBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599487 1068501311 /nfs/dbraw/zinc/50/13/11/1068501311.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 2 1 409.575 -0.565 20 0 HBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000581672906 1068508732 /nfs/dbraw/zinc/50/87/32/1068508732.db2.gz GVDGAGPGXFBBLJ-UHFFFAOYSA-N 2 1 407.559 -0.153 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000581900112 1068538988 /nfs/dbraw/zinc/53/89/88/1068538988.db2.gz HWNVCQHTRNYHSJ-GOSISDBHSA-N 2 1 418.542 -0.323 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000581900113 1068538886 /nfs/dbraw/zinc/53/88/86/1068538886.db2.gz HWNVCQHTRNYHSJ-SFHVURJKSA-N 2 1 418.542 -0.323 20 0 HBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582136162 1068661097 /nfs/dbraw/zinc/66/10/97/1068661097.db2.gz CKCMIAHXUQZPLN-UHFFFAOYSA-N 2 1 405.547 -0.097 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000582139988 1068662677 /nfs/dbraw/zinc/66/26/77/1068662677.db2.gz OHOJVIRWILZLKG-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000582255768 1068673057 /nfs/dbraw/zinc/67/30/57/1068673057.db2.gz LUUYLJCNDHCNOT-UHFFFAOYSA-N 2 1 424.590 -0.857 20 0 HBADMP C[C@H]1C[C@@H](CO)CC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000582444129 1068692978 /nfs/dbraw/zinc/69/29/78/1068692978.db2.gz SUEVWJVRMHPDFF-MUGJNUQGSA-N 2 1 424.586 -0.157 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569676 1068703432 /nfs/dbraw/zinc/70/34/32/1068703432.db2.gz ZBBOJRFSAUHRJR-HOJAQTOUSA-N 2 1 423.602 -0.130 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569680 1068703145 /nfs/dbraw/zinc/70/31/45/1068703145.db2.gz ZBBOJRFSAUHRJR-MISYRCLQSA-N 2 1 423.602 -0.130 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569681 1068703463 /nfs/dbraw/zinc/70/34/63/1068703463.db2.gz ZBBOJRFSAUHRJR-RLLQIKCJSA-N 2 1 423.602 -0.130 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569682 1068703579 /nfs/dbraw/zinc/70/35/79/1068703579.db2.gz ZBBOJRFSAUHRJR-YZGWKJHDSA-N 2 1 423.602 -0.130 20 0 HBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000582716797 1068720713 /nfs/dbraw/zinc/72/07/13/1068720713.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000582716797 1068720700 /nfs/dbraw/zinc/72/07/00/1068720700.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000582716797 1068720692 /nfs/dbraw/zinc/72/06/92/1068720692.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000582716798 1068720323 /nfs/dbraw/zinc/72/03/23/1068720323.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000582716798 1068720314 /nfs/dbraw/zinc/72/03/14/1068720314.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000582716798 1068720310 /nfs/dbraw/zinc/72/03/10/1068720310.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000582716799 1068720564 /nfs/dbraw/zinc/72/05/64/1068720564.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000582716799 1068720558 /nfs/dbraw/zinc/72/05/58/1068720558.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000582716799 1068720547 /nfs/dbraw/zinc/72/05/47/1068720547.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000582716800 1068720457 /nfs/dbraw/zinc/72/04/57/1068720457.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000582716800 1068720428 /nfs/dbraw/zinc/72/04/28/1068720428.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 2 1 407.559 -0.012 20 0 HBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000582716800 1068720425 /nfs/dbraw/zinc/72/04/25/1068720425.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 2 1 407.559 -0.012 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978965 1068748156 /nfs/dbraw/zinc/74/81/56/1068748156.db2.gz GLTYWYSGALCAHJ-HKUYNNGSSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978965 1068748144 /nfs/dbraw/zinc/74/81/44/1068748144.db2.gz GLTYWYSGALCAHJ-HKUYNNGSSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978966 1068748236 /nfs/dbraw/zinc/74/82/36/1068748236.db2.gz GLTYWYSGALCAHJ-IEBWSBKVSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978966 1068748228 /nfs/dbraw/zinc/74/82/28/1068748228.db2.gz GLTYWYSGALCAHJ-IEBWSBKVSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978967 1068748414 /nfs/dbraw/zinc/74/84/14/1068748414.db2.gz GLTYWYSGALCAHJ-MJGOQNOKSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000582978967 1068748407 /nfs/dbraw/zinc/74/84/07/1068748407.db2.gz GLTYWYSGALCAHJ-MJGOQNOKSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978968 1068748095 /nfs/dbraw/zinc/74/80/95/1068748095.db2.gz GLTYWYSGALCAHJ-PKOBYXMFSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000582978968 1068748079 /nfs/dbraw/zinc/74/80/79/1068748079.db2.gz GLTYWYSGALCAHJ-PKOBYXMFSA-N 2 1 401.511 -0.125 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000583217208 1068768988 /nfs/dbraw/zinc/76/89/88/1068768988.db2.gz QGXMRXAFLZMYDX-UHFFFAOYSA-N 2 1 419.526 -0.430 20 0 HBADMP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000583218503 1068768672 /nfs/dbraw/zinc/76/86/72/1068768672.db2.gz AYYIWDGTUBYSHU-FGYAAKKASA-N 2 1 422.618 -0.294 20 0 HBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000583457526 1068787933 /nfs/dbraw/zinc/78/79/33/1068787933.db2.gz JNGVUNKCZSVNHN-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000583457526 1068787927 /nfs/dbraw/zinc/78/79/27/1068787927.db2.gz JNGVUNKCZSVNHN-UHFFFAOYSA-N 2 1 407.559 -0.010 20 0 HBADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCC1 ZINC000583461625 1068788525 /nfs/dbraw/zinc/78/85/25/1068788525.db2.gz WGDRIFVMJSVYHF-KRWDZBQOSA-N 2 1 407.559 -0.010 20 0 HBADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCC1 ZINC000583461626 1068788624 /nfs/dbraw/zinc/78/86/24/1068788624.db2.gz WGDRIFVMJSVYHF-QGZVFWFLSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000583710485 1068820015 /nfs/dbraw/zinc/82/00/15/1068820015.db2.gz BNMZICYFJXMCCC-UHFFFAOYSA-N 2 1 423.558 -0.630 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583862921 1068830544 /nfs/dbraw/zinc/83/05/44/1068830544.db2.gz BCMCFJIIQRWCAH-GOSISDBHSA-N 3 1 418.542 -0.453 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583862922 1068831167 /nfs/dbraw/zinc/83/11/67/1068831167.db2.gz BCMCFJIIQRWCAH-SFHVURJKSA-N 3 1 418.542 -0.453 20 0 HBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583949246 1068834832 /nfs/dbraw/zinc/83/48/32/1068834832.db2.gz SJLZMLPCBPSPET-GOSISDBHSA-N 2 1 409.575 -0.158 20 0 HBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583949273 1068834733 /nfs/dbraw/zinc/83/47/33/1068834733.db2.gz UDGNZJKYDKHYCL-FQEVSTJZSA-N 2 1 416.570 -0.323 20 0 HBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583949274 1068834944 /nfs/dbraw/zinc/83/49/44/1068834944.db2.gz UDGNZJKYDKHYCL-HXUWFJFHSA-N 2 1 416.570 -0.323 20 0 HBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000584130025 1068846638 /nfs/dbraw/zinc/84/66/38/1068846638.db2.gz DOPLOEZDJXTYIG-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000584130025 1068846622 /nfs/dbraw/zinc/84/66/22/1068846622.db2.gz DOPLOEZDJXTYIG-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000584130026 1068847247 /nfs/dbraw/zinc/84/72/47/1068847247.db2.gz DOPLOEZDJXTYIG-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000584130026 1068847237 /nfs/dbraw/zinc/84/72/37/1068847237.db2.gz DOPLOEZDJXTYIG-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000584312782 1068853681 /nfs/dbraw/zinc/85/36/81/1068853681.db2.gz NDWPHTHFPHMXJF-MSOLQXFVSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000584312782 1068853673 /nfs/dbraw/zinc/85/36/73/1068853673.db2.gz NDWPHTHFPHMXJF-MSOLQXFVSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312782 1068853665 /nfs/dbraw/zinc/85/36/65/1068853665.db2.gz NDWPHTHFPHMXJF-MSOLQXFVSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000584312783 1068853816 /nfs/dbraw/zinc/85/38/16/1068853816.db2.gz NDWPHTHFPHMXJF-QZTJIDSGSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000584312783 1068853804 /nfs/dbraw/zinc/85/38/04/1068853804.db2.gz NDWPHTHFPHMXJF-QZTJIDSGSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312783 1068853795 /nfs/dbraw/zinc/85/37/95/1068853795.db2.gz NDWPHTHFPHMXJF-QZTJIDSGSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000584312784 1068853863 /nfs/dbraw/zinc/85/38/63/1068853863.db2.gz NDWPHTHFPHMXJF-ROUUACIJSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000584312784 1068853857 /nfs/dbraw/zinc/85/38/57/1068853857.db2.gz NDWPHTHFPHMXJF-ROUUACIJSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312784 1068853847 /nfs/dbraw/zinc/85/38/47/1068853847.db2.gz NDWPHTHFPHMXJF-ROUUACIJSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000584312785 1068853597 /nfs/dbraw/zinc/85/35/97/1068853597.db2.gz NDWPHTHFPHMXJF-ZWKOTPCHSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000584312785 1068853584 /nfs/dbraw/zinc/85/35/84/1068853584.db2.gz NDWPHTHFPHMXJF-ZWKOTPCHSA-N 2 1 423.558 -0.632 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312785 1068853572 /nfs/dbraw/zinc/85/35/72/1068853572.db2.gz NDWPHTHFPHMXJF-ZWKOTPCHSA-N 2 1 423.558 -0.632 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000584343827 1068856249 /nfs/dbraw/zinc/85/62/49/1068856249.db2.gz OKOKHJNOSJARBI-MSOLQXFVSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000584343827 1068856239 /nfs/dbraw/zinc/85/62/39/1068856239.db2.gz OKOKHJNOSJARBI-MSOLQXFVSA-N 2 1 405.543 -0.116 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343827 1068856229 /nfs/dbraw/zinc/85/62/29/1068856229.db2.gz OKOKHJNOSJARBI-MSOLQXFVSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000584343828 1068856404 /nfs/dbraw/zinc/85/64/04/1068856404.db2.gz OKOKHJNOSJARBI-QZTJIDSGSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000584343828 1068856395 /nfs/dbraw/zinc/85/63/95/1068856395.db2.gz OKOKHJNOSJARBI-QZTJIDSGSA-N 2 1 405.543 -0.116 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343828 1068856385 /nfs/dbraw/zinc/85/63/85/1068856385.db2.gz OKOKHJNOSJARBI-QZTJIDSGSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000584343829 1068856207 /nfs/dbraw/zinc/85/62/07/1068856207.db2.gz OKOKHJNOSJARBI-ROUUACIJSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000584343829 1068856197 /nfs/dbraw/zinc/85/61/97/1068856197.db2.gz OKOKHJNOSJARBI-ROUUACIJSA-N 2 1 405.543 -0.116 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343829 1068856186 /nfs/dbraw/zinc/85/61/86/1068856186.db2.gz OKOKHJNOSJARBI-ROUUACIJSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000584343830 1068856146 /nfs/dbraw/zinc/85/61/46/1068856146.db2.gz OKOKHJNOSJARBI-ZWKOTPCHSA-N 2 1 405.543 -0.116 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000584343830 1068856137 /nfs/dbraw/zinc/85/61/37/1068856137.db2.gz OKOKHJNOSJARBI-ZWKOTPCHSA-N 2 1 405.543 -0.116 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343830 1068856131 /nfs/dbraw/zinc/85/61/31/1068856131.db2.gz OKOKHJNOSJARBI-ZWKOTPCHSA-N 2 1 405.543 -0.116 20 0 HBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000584731295 1069100899 /nfs/dbraw/zinc/10/08/99/1069100899.db2.gz GMHLLVFEXDPVIL-AZUAARDMSA-N 2 1 415.538 -0.027 20 0 HBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000584731299 1069100708 /nfs/dbraw/zinc/10/07/08/1069100708.db2.gz GMHLLVFEXDPVIL-ICSRJNTNSA-N 2 1 415.538 -0.027 20 0 HBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000584731300 1069100758 /nfs/dbraw/zinc/10/07/58/1069100758.db2.gz GMHLLVFEXDPVIL-QUCCMNQESA-N 2 1 415.538 -0.027 20 0 HBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000584731302 1069100814 /nfs/dbraw/zinc/10/08/14/1069100814.db2.gz GMHLLVFEXDPVIL-UYAOXDASSA-N 2 1 415.538 -0.027 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000584733472 1069101475 /nfs/dbraw/zinc/10/14/75/1069101475.db2.gz FEYLWOPKCISPML-UHFFFAOYSA-N 2 1 409.575 -0.158 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000584829953 1069107712 /nfs/dbraw/zinc/10/77/12/1069107712.db2.gz DREOBKQGPVHTIV-UHFFFAOYSA-N 2 1 407.515 -0.195 20 0 HBADMP Cc1nc(S(=O)(=O)NCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1C ZINC000588641442 1070745698 /nfs/dbraw/zinc/74/56/98/1070745698.db2.gz MSSHAVQDEHXLSU-UHFFFAOYSA-N 2 1 407.500 -0.208 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589677581 1070788085 /nfs/dbraw/zinc/78/80/85/1070788085.db2.gz LDUZBFVPUMJECZ-UHFFFAOYSA-N 2 1 418.542 -0.012 20 0 HBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000589757898 1069023102 /nfs/dbraw/zinc/02/31/02/1069023102.db2.gz LQIZHTLQUUMQLE-UHFFFAOYSA-N 2 1 418.542 -0.059 20 0 HBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000590640411 1070823743 /nfs/dbraw/zinc/82/37/43/1070823743.db2.gz VFHZIGTVHXXXHA-UHFFFAOYSA-N 2 1 418.542 -0.097 20 0 HBADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000590642626 1070823506 /nfs/dbraw/zinc/82/35/06/1070823506.db2.gz VEMVMYBBXQABBY-INIZCTEOSA-N 2 1 418.542 -0.098 20 0 HBADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000590642627 1070823057 /nfs/dbraw/zinc/82/30/57/1070823057.db2.gz VEMVMYBBXQABBY-MRXNPFEDSA-N 2 1 418.542 -0.098 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080565 1070841648 /nfs/dbraw/zinc/84/16/48/1070841648.db2.gz MFXBENSKMHJQGR-MOPGFXCFSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080565 1070841616 /nfs/dbraw/zinc/84/16/16/1070841616.db2.gz MFXBENSKMHJQGR-MOPGFXCFSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080565 1070841587 /nfs/dbraw/zinc/84/15/87/1070841587.db2.gz MFXBENSKMHJQGR-MOPGFXCFSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080566 1070841201 /nfs/dbraw/zinc/84/12/01/1070841201.db2.gz MFXBENSKMHJQGR-OALUTQOASA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080566 1070841179 /nfs/dbraw/zinc/84/11/79/1070841179.db2.gz MFXBENSKMHJQGR-OALUTQOASA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080566 1070841158 /nfs/dbraw/zinc/84/11/58/1070841158.db2.gz MFXBENSKMHJQGR-OALUTQOASA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080567 1070842089 /nfs/dbraw/zinc/84/20/89/1070842089.db2.gz MFXBENSKMHJQGR-RBUKOAKNSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080567 1070842062 /nfs/dbraw/zinc/84/20/62/1070842062.db2.gz MFXBENSKMHJQGR-RBUKOAKNSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080567 1070842035 /nfs/dbraw/zinc/84/20/35/1070842035.db2.gz MFXBENSKMHJQGR-RBUKOAKNSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080568 1070841811 /nfs/dbraw/zinc/84/18/11/1070841811.db2.gz MFXBENSKMHJQGR-RTBURBONSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080568 1070841783 /nfs/dbraw/zinc/84/17/83/1070841783.db2.gz MFXBENSKMHJQGR-RTBURBONSA-N 2 1 409.575 -0.127 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080568 1070841759 /nfs/dbraw/zinc/84/17/59/1070841759.db2.gz MFXBENSKMHJQGR-RTBURBONSA-N 2 1 409.575 -0.127 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000591405667 1070858354 /nfs/dbraw/zinc/85/83/54/1070858354.db2.gz HGRFSTCVWCNICC-INIZCTEOSA-N 2 1 410.563 -0.136 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000591405667 1070858327 /nfs/dbraw/zinc/85/83/27/1070858327.db2.gz HGRFSTCVWCNICC-INIZCTEOSA-N 2 1 410.563 -0.136 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000591405673 1070858213 /nfs/dbraw/zinc/85/82/13/1070858213.db2.gz HGRFSTCVWCNICC-MRXNPFEDSA-N 2 1 410.563 -0.136 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000591405673 1070858186 /nfs/dbraw/zinc/85/81/86/1070858186.db2.gz HGRFSTCVWCNICC-MRXNPFEDSA-N 2 1 410.563 -0.136 20 0 HBADMP COCC[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@H+](CCOC)CC2)CC1 ZINC000591799583 1070878730 /nfs/dbraw/zinc/87/87/30/1070878730.db2.gz KOLDNTXWPGNFRG-UHFFFAOYSA-N 2 1 414.547 -0.636 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000594080155 1070929183 /nfs/dbraw/zinc/92/91/83/1070929183.db2.gz AVNHNBYGBKLNNQ-KRWDZBQOSA-N 2 1 403.531 -0.028 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cn2)CC1 ZINC000594080164 1070928975 /nfs/dbraw/zinc/92/89/75/1070928975.db2.gz AVNHNBYGBKLNNQ-QGZVFWFLSA-N 2 1 403.531 -0.028 20 0 HBADMP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594106971 1070928646 /nfs/dbraw/zinc/92/86/46/1070928646.db2.gz SZDVBELXZYHOOO-KRWDZBQOSA-N 2 1 403.531 -0.028 20 0 HBADMP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594106972 1070928776 /nfs/dbraw/zinc/92/87/76/1070928776.db2.gz SZDVBELXZYHOOO-QGZVFWFLSA-N 2 1 403.531 -0.028 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000598321107 1070982398 /nfs/dbraw/zinc/98/23/98/1070982398.db2.gz RYFNEEKOYFZWDZ-UHFFFAOYSA-N 2 1 410.563 -0.265 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350609 1071026103 /nfs/dbraw/zinc/02/61/03/1071026103.db2.gz JCAPNZXNJWZMBZ-PMACEKPBSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350609 1071026095 /nfs/dbraw/zinc/02/60/95/1071026095.db2.gz JCAPNZXNJWZMBZ-PMACEKPBSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350610 1071026070 /nfs/dbraw/zinc/02/60/70/1071026070.db2.gz JCAPNZXNJWZMBZ-UXHICEINSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1 ZINC000604350610 1071026062 /nfs/dbraw/zinc/02/60/62/1071026062.db2.gz JCAPNZXNJWZMBZ-UXHICEINSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350611 1071025846 /nfs/dbraw/zinc/02/58/46/1071025846.db2.gz JCAPNZXNJWZMBZ-VQTJNVASSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350611 1071025837 /nfs/dbraw/zinc/02/58/37/1071025837.db2.gz JCAPNZXNJWZMBZ-VQTJNVASSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350612 1071025732 /nfs/dbraw/zinc/02/57/32/1071025732.db2.gz JCAPNZXNJWZMBZ-WOJBJXKFSA-N 2 1 421.586 -0.062 20 0 HBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1 ZINC000604350612 1071025723 /nfs/dbraw/zinc/02/57/23/1071025723.db2.gz JCAPNZXNJWZMBZ-WOJBJXKFSA-N 2 1 421.586 -0.062 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372139 1071023356 /nfs/dbraw/zinc/02/33/56/1071023356.db2.gz NIXGKHDZIBTPFR-HSALFYBXSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372139 1071023349 /nfs/dbraw/zinc/02/33/49/1071023349.db2.gz NIXGKHDZIBTPFR-HSALFYBXSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372139 1071023335 /nfs/dbraw/zinc/02/33/35/1071023335.db2.gz NIXGKHDZIBTPFR-HSALFYBXSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372141 1071022601 /nfs/dbraw/zinc/02/26/01/1071022601.db2.gz NIXGKHDZIBTPFR-SLFFLAALSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372141 1071022582 /nfs/dbraw/zinc/02/25/82/1071022582.db2.gz NIXGKHDZIBTPFR-SLFFLAALSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372141 1071022562 /nfs/dbraw/zinc/02/25/62/1071022562.db2.gz NIXGKHDZIBTPFR-SLFFLAALSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372142 1071023011 /nfs/dbraw/zinc/02/30/11/1071023011.db2.gz NIXGKHDZIBTPFR-VAMGGRTRSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372142 1071023003 /nfs/dbraw/zinc/02/30/03/1071023003.db2.gz NIXGKHDZIBTPFR-VAMGGRTRSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372142 1071022994 /nfs/dbraw/zinc/02/29/94/1071022994.db2.gz NIXGKHDZIBTPFR-VAMGGRTRSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372143 1071023483 /nfs/dbraw/zinc/02/34/83/1071023483.db2.gz NIXGKHDZIBTPFR-XUVXKRRUSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC000604372143 1071023474 /nfs/dbraw/zinc/02/34/74/1071023474.db2.gz NIXGKHDZIBTPFR-XUVXKRRUSA-N 2 1 421.586 -0.158 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372143 1071023470 /nfs/dbraw/zinc/02/34/70/1071023470.db2.gz NIXGKHDZIBTPFR-XUVXKRRUSA-N 2 1 421.586 -0.158 20 0 HBADMP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)ccn2)CC1 ZINC000604373119 1071025306 /nfs/dbraw/zinc/02/53/06/1071025306.db2.gz QQUKATPWXYOYDR-IBGZPJMESA-N 2 1 402.543 -0.030 20 0 HBADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)ccn2)CC1 ZINC000604373121 1071025289 /nfs/dbraw/zinc/02/52/89/1071025289.db2.gz QQUKATPWXYOYDR-LJQANCHMSA-N 2 1 402.543 -0.030 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN([C@H]3CCC[N@@H+](C)C3)CC1)c(=O)n2C ZINC000604388751 1071028123 /nfs/dbraw/zinc/02/81/23/1071028123.db2.gz NJCIUSFWOYCQGC-INIZCTEOSA-N 2 1 403.531 -0.464 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN([C@H]3CCC[N@H+](C)C3)CC1)c(=O)n2C ZINC000604388751 1071028113 /nfs/dbraw/zinc/02/81/13/1071028113.db2.gz NJCIUSFWOYCQGC-INIZCTEOSA-N 2 1 403.531 -0.464 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)c(=O)n2C ZINC000604388756 1071028069 /nfs/dbraw/zinc/02/80/69/1071028069.db2.gz NJCIUSFWOYCQGC-MRXNPFEDSA-N 2 1 403.531 -0.464 20 0 HBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN([C@@H]3CCC[N@H+](C)C3)CC1)c(=O)n2C ZINC000604388756 1071028065 /nfs/dbraw/zinc/02/80/65/1071028065.db2.gz NJCIUSFWOYCQGC-MRXNPFEDSA-N 2 1 403.531 -0.464 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)C1 ZINC000604421985 1071028586 /nfs/dbraw/zinc/02/85/86/1071028586.db2.gz GVTBDTSBBUZSFZ-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)C1 ZINC000604421985 1071028580 /nfs/dbraw/zinc/02/85/80/1071028580.db2.gz GVTBDTSBBUZSFZ-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)C1 ZINC000604421985 1071028575 /nfs/dbraw/zinc/02/85/75/1071028575.db2.gz GVTBDTSBBUZSFZ-BGYRXZFFSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)C1 ZINC000604421986 1071028635 /nfs/dbraw/zinc/02/86/35/1071028635.db2.gz GVTBDTSBBUZSFZ-PMACEKPBSA-N 2 1 420.602 -0.537 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)C1 ZINC000604421987 1071028798 /nfs/dbraw/zinc/02/87/98/1071028798.db2.gz GVTBDTSBBUZSFZ-WOJBJXKFSA-N 2 1 420.602 -0.537 20 0 HBADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636913 1071032635 /nfs/dbraw/zinc/03/26/35/1071032635.db2.gz DXJNNIOGIZCZQZ-PMACEKPBSA-N 2 1 410.607 -0.036 20 0 HBADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636914 1071032536 /nfs/dbraw/zinc/03/25/36/1071032536.db2.gz DXJNNIOGIZCZQZ-UXHICEINSA-N 2 1 410.607 -0.036 20 0 HBADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636915 1071032763 /nfs/dbraw/zinc/03/27/63/1071032763.db2.gz DXJNNIOGIZCZQZ-VQTJNVASSA-N 2 1 410.607 -0.036 20 0 HBADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636916 1071032710 /nfs/dbraw/zinc/03/27/10/1071032710.db2.gz DXJNNIOGIZCZQZ-WOJBJXKFSA-N 2 1 410.607 -0.036 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639895 1071032674 /nfs/dbraw/zinc/03/26/74/1071032674.db2.gz YVSZYZFEHREUDK-IBGZPJMESA-N 2 1 424.590 -0.317 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639895 1071032666 /nfs/dbraw/zinc/03/26/66/1071032666.db2.gz YVSZYZFEHREUDK-IBGZPJMESA-N 2 1 424.590 -0.317 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639896 1071032465 /nfs/dbraw/zinc/03/24/65/1071032465.db2.gz YVSZYZFEHREUDK-LJQANCHMSA-N 2 1 424.590 -0.317 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639896 1071032454 /nfs/dbraw/zinc/03/24/54/1071032454.db2.gz YVSZYZFEHREUDK-LJQANCHMSA-N 2 1 424.590 -0.317 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604649720 1071033239 /nfs/dbraw/zinc/03/32/39/1071033239.db2.gz VMEFQJSLDBMBCT-MOPGFXCFSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649720 1071033230 /nfs/dbraw/zinc/03/32/30/1071033230.db2.gz VMEFQJSLDBMBCT-MOPGFXCFSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649720 1071033225 /nfs/dbraw/zinc/03/32/25/1071033225.db2.gz VMEFQJSLDBMBCT-MOPGFXCFSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604649721 1071033431 /nfs/dbraw/zinc/03/34/31/1071033431.db2.gz VMEFQJSLDBMBCT-OALUTQOASA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649721 1071033424 /nfs/dbraw/zinc/03/34/24/1071033424.db2.gz VMEFQJSLDBMBCT-OALUTQOASA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649721 1071033422 /nfs/dbraw/zinc/03/34/22/1071033422.db2.gz VMEFQJSLDBMBCT-OALUTQOASA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604649722 1071033361 /nfs/dbraw/zinc/03/33/61/1071033361.db2.gz VMEFQJSLDBMBCT-RBUKOAKNSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649722 1071033356 /nfs/dbraw/zinc/03/33/56/1071033356.db2.gz VMEFQJSLDBMBCT-RBUKOAKNSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649722 1071033352 /nfs/dbraw/zinc/03/33/52/1071033352.db2.gz VMEFQJSLDBMBCT-RBUKOAKNSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604649723 1071033113 /nfs/dbraw/zinc/03/31/13/1071033113.db2.gz VMEFQJSLDBMBCT-RTBURBONSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604649723 1071033099 /nfs/dbraw/zinc/03/30/99/1071033099.db2.gz VMEFQJSLDBMBCT-RTBURBONSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649723 1071033088 /nfs/dbraw/zinc/03/30/88/1071033088.db2.gz VMEFQJSLDBMBCT-RTBURBONSA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653747 1071033331 /nfs/dbraw/zinc/03/33/31/1071033331.db2.gz OBDINPVQFUGVII-GOSISDBHSA-N 2 1 410.563 -0.755 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653747 1071033329 /nfs/dbraw/zinc/03/33/29/1071033329.db2.gz OBDINPVQFUGVII-GOSISDBHSA-N 2 1 410.563 -0.755 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653748 1071033281 /nfs/dbraw/zinc/03/32/81/1071033281.db2.gz OBDINPVQFUGVII-SFHVURJKSA-N 2 1 410.563 -0.755 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653748 1071033274 /nfs/dbraw/zinc/03/32/74/1071033274.db2.gz OBDINPVQFUGVII-SFHVURJKSA-N 2 1 410.563 -0.755 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653777 1071034050 /nfs/dbraw/zinc/03/40/50/1071034050.db2.gz PPSMQECLWBVSSQ-IBGZPJMESA-N 2 1 424.590 -0.365 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653778 1071033993 /nfs/dbraw/zinc/03/39/93/1071033993.db2.gz PPSMQECLWBVSSQ-LJQANCHMSA-N 2 1 424.590 -0.365 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656825 1071033983 /nfs/dbraw/zinc/03/39/83/1071033983.db2.gz WPEVAXDXAJRCBX-MOPGFXCFSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656825 1071033976 /nfs/dbraw/zinc/03/39/76/1071033976.db2.gz WPEVAXDXAJRCBX-MOPGFXCFSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656825 1071033972 /nfs/dbraw/zinc/03/39/72/1071033972.db2.gz WPEVAXDXAJRCBX-MOPGFXCFSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656826 1071033890 /nfs/dbraw/zinc/03/38/90/1071033890.db2.gz WPEVAXDXAJRCBX-OALUTQOASA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656826 1071033881 /nfs/dbraw/zinc/03/38/81/1071033881.db2.gz WPEVAXDXAJRCBX-OALUTQOASA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656826 1071033864 /nfs/dbraw/zinc/03/38/64/1071033864.db2.gz WPEVAXDXAJRCBX-OALUTQOASA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656827 1071034092 /nfs/dbraw/zinc/03/40/92/1071034092.db2.gz WPEVAXDXAJRCBX-RBUKOAKNSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656827 1071034087 /nfs/dbraw/zinc/03/40/87/1071034087.db2.gz WPEVAXDXAJRCBX-RBUKOAKNSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656827 1071034082 /nfs/dbraw/zinc/03/40/82/1071034082.db2.gz WPEVAXDXAJRCBX-RBUKOAKNSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656828 1071034036 /nfs/dbraw/zinc/03/40/36/1071034036.db2.gz WPEVAXDXAJRCBX-RTBURBONSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656828 1071034033 /nfs/dbraw/zinc/03/40/33/1071034033.db2.gz WPEVAXDXAJRCBX-RTBURBONSA-N 2 1 408.591 -0.139 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656828 1071034028 /nfs/dbraw/zinc/03/40/28/1071034028.db2.gz WPEVAXDXAJRCBX-RTBURBONSA-N 2 1 408.591 -0.139 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668122 1071036088 /nfs/dbraw/zinc/03/60/88/1071036088.db2.gz SLZNJKYGSFITBN-PMACEKPBSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668122 1071036083 /nfs/dbraw/zinc/03/60/83/1071036083.db2.gz SLZNJKYGSFITBN-PMACEKPBSA-N 2 1 408.591 -0.186 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668122 1071036079 /nfs/dbraw/zinc/03/60/79/1071036079.db2.gz SLZNJKYGSFITBN-PMACEKPBSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668123 1071036384 /nfs/dbraw/zinc/03/63/84/1071036384.db2.gz SLZNJKYGSFITBN-UXHICEINSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668123 1071036373 /nfs/dbraw/zinc/03/63/73/1071036373.db2.gz SLZNJKYGSFITBN-UXHICEINSA-N 2 1 408.591 -0.186 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668123 1071036363 /nfs/dbraw/zinc/03/63/63/1071036363.db2.gz SLZNJKYGSFITBN-UXHICEINSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668124 1071036491 /nfs/dbraw/zinc/03/64/91/1071036491.db2.gz SLZNJKYGSFITBN-VQTJNVASSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668124 1071036483 /nfs/dbraw/zinc/03/64/83/1071036483.db2.gz SLZNJKYGSFITBN-VQTJNVASSA-N 2 1 408.591 -0.186 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668124 1071036475 /nfs/dbraw/zinc/03/64/75/1071036475.db2.gz SLZNJKYGSFITBN-VQTJNVASSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668125 1071036047 /nfs/dbraw/zinc/03/60/47/1071036047.db2.gz SLZNJKYGSFITBN-WOJBJXKFSA-N 2 1 408.591 -0.186 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668125 1071036043 /nfs/dbraw/zinc/03/60/43/1071036043.db2.gz SLZNJKYGSFITBN-WOJBJXKFSA-N 2 1 408.591 -0.186 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668125 1071036042 /nfs/dbraw/zinc/03/60/42/1071036042.db2.gz SLZNJKYGSFITBN-WOJBJXKFSA-N 2 1 408.591 -0.186 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668362 1071035281 /nfs/dbraw/zinc/03/52/81/1071035281.db2.gz ZPTQMBZTBIDGEC-IBGZPJMESA-N 2 1 422.574 -0.658 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668363 1071035601 /nfs/dbraw/zinc/03/56/01/1071035601.db2.gz ZPTQMBZTBIDGEC-LJQANCHMSA-N 2 1 422.574 -0.658 20 0 HBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668392 1071035394 /nfs/dbraw/zinc/03/53/94/1071035394.db2.gz AAABULXTDUDIBQ-BGYRXZFFSA-N 2 1 424.590 -0.901 20 0 HBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668392 1071035388 /nfs/dbraw/zinc/03/53/88/1071035388.db2.gz AAABULXTDUDIBQ-BGYRXZFFSA-N 2 1 424.590 -0.901 20 0 HBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668392 1071035381 /nfs/dbraw/zinc/03/53/81/1071035381.db2.gz AAABULXTDUDIBQ-BGYRXZFFSA-N 2 1 424.590 -0.901 20 0 HBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668393 1071035483 /nfs/dbraw/zinc/03/54/83/1071035483.db2.gz AAABULXTDUDIBQ-PMACEKPBSA-N 2 1 424.590 -0.901 20 0 HBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668394 1071035629 /nfs/dbraw/zinc/03/56/29/1071035629.db2.gz AAABULXTDUDIBQ-WOJBJXKFSA-N 2 1 424.590 -0.901 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668483 1071034797 /nfs/dbraw/zinc/03/47/97/1071034797.db2.gz CRBGYGIMWLNJGZ-IBGZPJMESA-N 2 1 424.590 -0.412 20 0 HBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668484 1071034736 /nfs/dbraw/zinc/03/47/36/1071034736.db2.gz CRBGYGIMWLNJGZ-LJQANCHMSA-N 2 1 424.590 -0.412 20 0 HBADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246213 1071052011 /nfs/dbraw/zinc/05/20/11/1071052011.db2.gz GDTOZOAWEZETID-UHFFFAOYSA-N 2 1 419.526 -0.364 20 0 HBADMP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246213 1071052001 /nfs/dbraw/zinc/05/20/01/1071052001.db2.gz GDTOZOAWEZETID-UHFFFAOYSA-N 2 1 419.526 -0.364 20 0 HBADMP CS(=O)(=O)N[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151171 1071130799 /nfs/dbraw/zinc/13/07/99/1071130799.db2.gz ROFSZMWHIMWKSJ-HOTGVXAUSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151173 1071130742 /nfs/dbraw/zinc/13/07/42/1071130742.db2.gz ROFSZMWHIMWKSJ-HZPDHXFCSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151174 1071130676 /nfs/dbraw/zinc/13/06/76/1071130676.db2.gz ROFSZMWHIMWKSJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151174 1071130670 /nfs/dbraw/zinc/13/06/70/1071130670.db2.gz ROFSZMWHIMWKSJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151174 1071130659 /nfs/dbraw/zinc/13/06/59/1071130659.db2.gz ROFSZMWHIMWKSJ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP O=C(C[NH+]1CCC[C@H](CCO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000607732893 1071149105 /nfs/dbraw/zinc/14/91/05/1071149105.db2.gz BAKHPVPRKJBAMX-BGYRXZFFSA-N 2 1 424.586 -0.154 20 0 HBADMP O=C(C[NH+]1CCC[C@H](CCO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000607732893 1071149089 /nfs/dbraw/zinc/14/90/89/1071149089.db2.gz BAKHPVPRKJBAMX-BGYRXZFFSA-N 2 1 424.586 -0.154 20 0 HBADMP O=C(C[NH+]1CCC[C@@H](CCO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000607732893 1071149083 /nfs/dbraw/zinc/14/90/83/1071149083.db2.gz BAKHPVPRKJBAMX-BGYRXZFFSA-N 2 1 424.586 -0.154 20 0 HBADMP O=C(C[NH+]1CCC[C@@H](CCO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000607732894 1071149174 /nfs/dbraw/zinc/14/91/74/1071149174.db2.gz BAKHPVPRKJBAMX-PMACEKPBSA-N 2 1 424.586 -0.154 20 0 HBADMP O=C(C[NH+]1CCC[C@H](CCO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000607732895 1071149314 /nfs/dbraw/zinc/14/93/14/1071149314.db2.gz BAKHPVPRKJBAMX-WOJBJXKFSA-N 2 1 424.586 -0.154 20 0 HBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000608524287 1071172439 /nfs/dbraw/zinc/17/24/39/1071172439.db2.gz TYQXESNRLQCFOF-FQEVSTJZSA-N 2 1 408.499 -0.105 20 0 HBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000608524289 1071172602 /nfs/dbraw/zinc/17/26/02/1071172602.db2.gz TYQXESNRLQCFOF-HXUWFJFHSA-N 2 1 408.499 -0.105 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687968 1071178822 /nfs/dbraw/zinc/17/88/22/1071178822.db2.gz PHOMHQPMOJJBSI-PMACEKPBSA-N 2 1 410.607 -0.034 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687975 1071178871 /nfs/dbraw/zinc/17/88/71/1071178871.db2.gz PHOMHQPMOJJBSI-UXHICEINSA-N 2 1 410.607 -0.034 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687976 1071178714 /nfs/dbraw/zinc/17/87/14/1071178714.db2.gz PHOMHQPMOJJBSI-VQTJNVASSA-N 2 1 410.607 -0.034 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687977 1071179200 /nfs/dbraw/zinc/17/92/00/1071179200.db2.gz PHOMHQPMOJJBSI-WOJBJXKFSA-N 2 1 410.607 -0.034 20 0 HBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000608690743 1071179262 /nfs/dbraw/zinc/17/92/62/1071179262.db2.gz HMFKNUJBFJCCRO-MSOLQXFVSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000608690743 1071179257 /nfs/dbraw/zinc/17/92/57/1071179257.db2.gz HMFKNUJBFJCCRO-MSOLQXFVSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690743 1071179253 /nfs/dbraw/zinc/17/92/53/1071179253.db2.gz HMFKNUJBFJCCRO-MSOLQXFVSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000608690748 1071179063 /nfs/dbraw/zinc/17/90/63/1071179063.db2.gz HMFKNUJBFJCCRO-QZTJIDSGSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000608690748 1071179040 /nfs/dbraw/zinc/17/90/40/1071179040.db2.gz HMFKNUJBFJCCRO-QZTJIDSGSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690748 1071179031 /nfs/dbraw/zinc/17/90/31/1071179031.db2.gz HMFKNUJBFJCCRO-QZTJIDSGSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000608690750 1071179235 /nfs/dbraw/zinc/17/92/35/1071179235.db2.gz HMFKNUJBFJCCRO-ROUUACIJSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000608690750 1071179231 /nfs/dbraw/zinc/17/92/31/1071179231.db2.gz HMFKNUJBFJCCRO-ROUUACIJSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690750 1071179227 /nfs/dbraw/zinc/17/92/27/1071179227.db2.gz HMFKNUJBFJCCRO-ROUUACIJSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000608690753 1071179118 /nfs/dbraw/zinc/17/91/18/1071179118.db2.gz HMFKNUJBFJCCRO-ZWKOTPCHSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000608690753 1071179108 /nfs/dbraw/zinc/17/91/08/1071179108.db2.gz HMFKNUJBFJCCRO-ZWKOTPCHSA-N 2 1 410.563 -0.721 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690753 1071179098 /nfs/dbraw/zinc/17/90/98/1071179098.db2.gz HMFKNUJBFJCCRO-ZWKOTPCHSA-N 2 1 410.563 -0.721 20 0 HBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686705 1072071746 /nfs/dbraw/zinc/07/17/46/1072071746.db2.gz XLDIOWFVBYBVDQ-PMACEKPBSA-N 2 1 408.591 -0.186 20 0 HBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686706 1072071845 /nfs/dbraw/zinc/07/18/45/1072071845.db2.gz XLDIOWFVBYBVDQ-UXHICEINSA-N 2 1 408.591 -0.186 20 0 HBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686707 1072071689 /nfs/dbraw/zinc/07/16/89/1072071689.db2.gz XLDIOWFVBYBVDQ-VQTJNVASSA-N 2 1 408.591 -0.186 20 0 HBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686708 1072071780 /nfs/dbraw/zinc/07/17/80/1072071780.db2.gz XLDIOWFVBYBVDQ-WOJBJXKFSA-N 2 1 408.591 -0.186 20 0 HBADMP COC(=O)c1c(N2CCC[NH+](CCO)CC2)ncnc1N1CCC[N@@H+](CCO)CC1 ZINC000610929320 1068604366 /nfs/dbraw/zinc/60/43/66/1068604366.db2.gz BDBOBOXNJPAZFT-UHFFFAOYSA-N 2 1 422.530 -0.728 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374355 1069710774 /nfs/dbraw/zinc/71/07/74/1069710774.db2.gz RCFALFYDDRFFHC-MSOLQXFVSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374355 1069710769 /nfs/dbraw/zinc/71/07/69/1069710769.db2.gz RCFALFYDDRFFHC-MSOLQXFVSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374355 1069710767 /nfs/dbraw/zinc/71/07/67/1069710767.db2.gz RCFALFYDDRFFHC-MSOLQXFVSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374355 1069710754 /nfs/dbraw/zinc/71/07/54/1069710754.db2.gz RCFALFYDDRFFHC-MSOLQXFVSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374356 1069710668 /nfs/dbraw/zinc/71/06/68/1069710668.db2.gz RCFALFYDDRFFHC-QZTJIDSGSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374356 1069710666 /nfs/dbraw/zinc/71/06/66/1069710666.db2.gz RCFALFYDDRFFHC-QZTJIDSGSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374356 1069710661 /nfs/dbraw/zinc/71/06/61/1069710661.db2.gz RCFALFYDDRFFHC-QZTJIDSGSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000611374356 1069710657 /nfs/dbraw/zinc/71/06/57/1069710657.db2.gz RCFALFYDDRFFHC-QZTJIDSGSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374357 1069710893 /nfs/dbraw/zinc/71/08/93/1069710893.db2.gz RCFALFYDDRFFHC-ROUUACIJSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374357 1069710887 /nfs/dbraw/zinc/71/08/87/1069710887.db2.gz RCFALFYDDRFFHC-ROUUACIJSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374357 1069710880 /nfs/dbraw/zinc/71/08/80/1069710880.db2.gz RCFALFYDDRFFHC-ROUUACIJSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374357 1069710871 /nfs/dbraw/zinc/71/08/71/1069710871.db2.gz RCFALFYDDRFFHC-ROUUACIJSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374358 1069710742 /nfs/dbraw/zinc/71/07/42/1069710742.db2.gz RCFALFYDDRFFHC-ZWKOTPCHSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374358 1069710737 /nfs/dbraw/zinc/71/07/37/1069710737.db2.gz RCFALFYDDRFFHC-ZWKOTPCHSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374358 1069710733 /nfs/dbraw/zinc/71/07/33/1069710733.db2.gz RCFALFYDDRFFHC-ZWKOTPCHSA-N 2 1 411.547 -0.328 20 0 HBADMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000611374358 1069710728 /nfs/dbraw/zinc/71/07/28/1069710728.db2.gz RCFALFYDDRFFHC-ZWKOTPCHSA-N 2 1 411.547 -0.328 20 0 HBADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000621017037 1072170424 /nfs/dbraw/zinc/17/04/24/1072170424.db2.gz NLMNIHGVVQABNT-KRWDZBQOSA-N 2 1 405.499 -0.559 20 0 HBADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000621017038 1072170271 /nfs/dbraw/zinc/17/02/71/1072170271.db2.gz NLMNIHGVVQABNT-QGZVFWFLSA-N 2 1 405.499 -0.559 20 0 HBADMP O=C(CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000644901285 1068473078 /nfs/dbraw/zinc/47/30/78/1068473078.db2.gz SRIBPTLOYYHDCR-IBGZPJMESA-N 2 1 424.590 -0.316 20 0 HBADMP O=C(CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000644901286 1068473018 /nfs/dbraw/zinc/47/30/18/1068473018.db2.gz SRIBPTLOYYHDCR-LJQANCHMSA-N 2 1 424.590 -0.316 20 0 HBADMP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000669624996 1070972046 /nfs/dbraw/zinc/97/20/46/1070972046.db2.gz RRVUGFMOHQMEBZ-GJZGRUSLSA-N 2 1 420.601 -0.311 20 0 HBADMP O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000669624997 1070971836 /nfs/dbraw/zinc/97/18/36/1070971836.db2.gz RRVUGFMOHQMEBZ-HUUCEWRRSA-N 2 1 420.601 -0.311 20 0 HBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623539 1072013917 /nfs/dbraw/zinc/01/39/17/1072013917.db2.gz PNNBVWROFQRRGL-FQEVSTJZSA-N 2 1 417.554 -0.243 20 0 HBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623540 1072013886 /nfs/dbraw/zinc/01/38/86/1072013886.db2.gz PNNBVWROFQRRGL-HXUWFJFHSA-N 2 1 417.554 -0.243 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671162 1072048734 /nfs/dbraw/zinc/04/87/34/1072048734.db2.gz MZTIOVSHINMWFZ-HKUYNNGSSA-N 2 1 409.575 -0.256 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671163 1072048574 /nfs/dbraw/zinc/04/85/74/1072048574.db2.gz MZTIOVSHINMWFZ-IEBWSBKVSA-N 2 1 409.575 -0.256 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671164 1072048614 /nfs/dbraw/zinc/04/86/14/1072048614.db2.gz MZTIOVSHINMWFZ-MJGOQNOKSA-N 2 1 409.575 -0.256 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671165 1072048696 /nfs/dbraw/zinc/04/86/96/1072048696.db2.gz MZTIOVSHINMWFZ-PKOBYXMFSA-N 2 1 409.575 -0.256 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670671889 1072050991 /nfs/dbraw/zinc/05/09/91/1072050991.db2.gz YXYJIPBOUCPACR-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670671889 1072050987 /nfs/dbraw/zinc/05/09/87/1072050987.db2.gz YXYJIPBOUCPACR-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671889 1072050979 /nfs/dbraw/zinc/05/09/79/1072050979.db2.gz YXYJIPBOUCPACR-MOPGFXCFSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670671890 1072050913 /nfs/dbraw/zinc/05/09/13/1072050913.db2.gz YXYJIPBOUCPACR-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670671890 1072050907 /nfs/dbraw/zinc/05/09/07/1072050907.db2.gz YXYJIPBOUCPACR-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671890 1072050900 /nfs/dbraw/zinc/05/09/00/1072050900.db2.gz YXYJIPBOUCPACR-OALUTQOASA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670671891 1072050731 /nfs/dbraw/zinc/05/07/31/1072050731.db2.gz YXYJIPBOUCPACR-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670671891 1072050715 /nfs/dbraw/zinc/05/07/15/1072050715.db2.gz YXYJIPBOUCPACR-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671891 1072050701 /nfs/dbraw/zinc/05/07/01/1072050701.db2.gz YXYJIPBOUCPACR-RBUKOAKNSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670671892 1072050573 /nfs/dbraw/zinc/05/05/73/1072050573.db2.gz YXYJIPBOUCPACR-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670671892 1072050562 /nfs/dbraw/zinc/05/05/62/1072050562.db2.gz YXYJIPBOUCPACR-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671892 1072050550 /nfs/dbraw/zinc/05/05/50/1072050550.db2.gz YXYJIPBOUCPACR-RTBURBONSA-N 2 1 409.575 -0.302 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833483 1072110864 /nfs/dbraw/zinc/11/08/64/1072110864.db2.gz ZHPIPBCNLRWEAZ-PMACEKPBSA-N 2 1 422.618 -0.387 20 0 HBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833484 1072110919 /nfs/dbraw/zinc/11/09/19/1072110919.db2.gz ZHPIPBCNLRWEAZ-UXHICEINSA-N 2 1 422.618 -0.387 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833485 1072111012 /nfs/dbraw/zinc/11/10/12/1072111012.db2.gz ZHPIPBCNLRWEAZ-VQTJNVASSA-N 2 1 422.618 -0.387 20 0 HBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833486 1072111096 /nfs/dbraw/zinc/11/10/96/1072111096.db2.gz ZHPIPBCNLRWEAZ-WOJBJXKFSA-N 2 1 422.618 -0.387 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670836800 1072113547 /nfs/dbraw/zinc/11/35/47/1072113547.db2.gz QRPDWDVTNQWWDK-MSOLQXFVSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670836800 1072113542 /nfs/dbraw/zinc/11/35/42/1072113542.db2.gz QRPDWDVTNQWWDK-MSOLQXFVSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670836801 1072113440 /nfs/dbraw/zinc/11/34/40/1072113440.db2.gz QRPDWDVTNQWWDK-QZTJIDSGSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670836801 1072113434 /nfs/dbraw/zinc/11/34/34/1072113434.db2.gz QRPDWDVTNQWWDK-QZTJIDSGSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670836802 1072113376 /nfs/dbraw/zinc/11/33/76/1072113376.db2.gz QRPDWDVTNQWWDK-ROUUACIJSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670836802 1072113370 /nfs/dbraw/zinc/11/33/70/1072113370.db2.gz QRPDWDVTNQWWDK-ROUUACIJSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670836803 1072113478 /nfs/dbraw/zinc/11/34/78/1072113478.db2.gz QRPDWDVTNQWWDK-ZWKOTPCHSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670836803 1072113473 /nfs/dbraw/zinc/11/34/73/1072113473.db2.gz QRPDWDVTNQWWDK-ZWKOTPCHSA-N 2 1 415.542 -0.152 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670836808 1072113351 /nfs/dbraw/zinc/11/33/51/1072113351.db2.gz SWCHOMYDGJFJDR-GOSISDBHSA-N 2 1 415.542 -0.295 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670836808 1072113347 /nfs/dbraw/zinc/11/33/47/1072113347.db2.gz SWCHOMYDGJFJDR-GOSISDBHSA-N 2 1 415.542 -0.295 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670836809 1072113490 /nfs/dbraw/zinc/11/34/90/1072113490.db2.gz SWCHOMYDGJFJDR-SFHVURJKSA-N 2 1 415.542 -0.295 20 0 HBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670836809 1072113486 /nfs/dbraw/zinc/11/34/86/1072113486.db2.gz SWCHOMYDGJFJDR-SFHVURJKSA-N 2 1 415.542 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000670836998 1072112949 /nfs/dbraw/zinc/11/29/49/1072112949.db2.gz NHNKCHIDMFQTNT-KRWDZBQOSA-N 2 1 417.558 -0.049 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000670836999 1072112882 /nfs/dbraw/zinc/11/28/82/1072112882.db2.gz NHNKCHIDMFQTNT-QGZVFWFLSA-N 2 1 417.558 -0.049 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670877987 1072122714 /nfs/dbraw/zinc/12/27/14/1072122714.db2.gz ZPIVXGKGZAUSCW-IBGZPJMESA-N 2 1 408.591 -0.633 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670877987 1072122710 /nfs/dbraw/zinc/12/27/10/1072122710.db2.gz ZPIVXGKGZAUSCW-IBGZPJMESA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670877987 1072122701 /nfs/dbraw/zinc/12/27/01/1072122701.db2.gz ZPIVXGKGZAUSCW-IBGZPJMESA-N 2 1 408.591 -0.633 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670877988 1069501883 /nfs/dbraw/zinc/50/18/83/1069501883.db2.gz ZPIVXGKGZAUSCW-LJQANCHMSA-N 2 1 408.591 -0.633 20 0 HBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670877988 1069501876 /nfs/dbraw/zinc/50/18/76/1069501876.db2.gz ZPIVXGKGZAUSCW-LJQANCHMSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670877988 1069501869 /nfs/dbraw/zinc/50/18/69/1069501869.db2.gz ZPIVXGKGZAUSCW-LJQANCHMSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000670967252 1072133909 /nfs/dbraw/zinc/13/39/09/1072133909.db2.gz KHRAILSYCYSHFV-AEFFLSMTSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967252 1072133905 /nfs/dbraw/zinc/13/39/05/1072133905.db2.gz KHRAILSYCYSHFV-AEFFLSMTSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000670967253 1072133796 /nfs/dbraw/zinc/13/37/96/1072133796.db2.gz KHRAILSYCYSHFV-FUHWJXTLSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967253 1072133783 /nfs/dbraw/zinc/13/37/83/1072133783.db2.gz KHRAILSYCYSHFV-FUHWJXTLSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000670967254 1072133848 /nfs/dbraw/zinc/13/38/48/1072133848.db2.gz KHRAILSYCYSHFV-SJLPKXTDSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967254 1072133842 /nfs/dbraw/zinc/13/38/42/1072133842.db2.gz KHRAILSYCYSHFV-SJLPKXTDSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000670967255 1072134298 /nfs/dbraw/zinc/13/42/98/1072134298.db2.gz KHRAILSYCYSHFV-WMZOPIPTSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000670967255 1072134296 /nfs/dbraw/zinc/13/42/96/1072134296.db2.gz KHRAILSYCYSHFV-WMZOPIPTSA-N 2 1 405.543 -0.258 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000670967463 1072133882 /nfs/dbraw/zinc/13/38/82/1072133882.db2.gz CARBMSOACLCRMZ-UHFFFAOYSA-N 2 1 409.531 -0.972 20 0 HBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967572 1072135449 /nfs/dbraw/zinc/13/54/49/1072135449.db2.gz ADZBYJIMFUHYST-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967572 1072135445 /nfs/dbraw/zinc/13/54/45/1072135445.db2.gz ADZBYJIMFUHYST-IBGZPJMESA-N 2 1 415.538 0.000 20 0 HBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967573 1072135296 /nfs/dbraw/zinc/13/52/96/1072135296.db2.gz ADZBYJIMFUHYST-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000670967573 1072135295 /nfs/dbraw/zinc/13/52/95/1072135295.db2.gz ADZBYJIMFUHYST-LJQANCHMSA-N 2 1 415.538 0.000 20 0 HBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033653 1072152549 /nfs/dbraw/zinc/15/25/49/1072152549.db2.gz SJLZMLPCBPSPET-SFHVURJKSA-N 2 1 409.575 -0.158 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671036304 1072153232 /nfs/dbraw/zinc/15/32/32/1072153232.db2.gz BHFNJAWKFZMDGQ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671036304 1072153227 /nfs/dbraw/zinc/15/32/27/1072153227.db2.gz BHFNJAWKFZMDGQ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671036304 1072153222 /nfs/dbraw/zinc/15/32/22/1072153222.db2.gz BHFNJAWKFZMDGQ-FQEVSTJZSA-N 2 1 422.618 -0.241 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671036305 1072153320 /nfs/dbraw/zinc/15/33/20/1072153320.db2.gz BHFNJAWKFZMDGQ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671036305 1072153317 /nfs/dbraw/zinc/15/33/17/1072153317.db2.gz BHFNJAWKFZMDGQ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671036305 1072153313 /nfs/dbraw/zinc/15/33/13/1072153313.db2.gz BHFNJAWKFZMDGQ-HXUWFJFHSA-N 2 1 422.618 -0.241 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671062575 1072158262 /nfs/dbraw/zinc/15/82/62/1072158262.db2.gz RUEQEVLSIJISCY-UHFFFAOYSA-N 2 1 416.526 -0.163 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000671091745 1072166781 /nfs/dbraw/zinc/16/67/81/1072166781.db2.gz SCMLOARFUKXHED-UHFFFAOYSA-N 2 1 419.570 -0.010 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171611 1072181604 /nfs/dbraw/zinc/18/16/04/1072181604.db2.gz TYDXGDJBMCQSSJ-MOPGFXCFSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171611 1072181601 /nfs/dbraw/zinc/18/16/01/1072181601.db2.gz TYDXGDJBMCQSSJ-MOPGFXCFSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171611 1072181598 /nfs/dbraw/zinc/18/15/98/1072181598.db2.gz TYDXGDJBMCQSSJ-MOPGFXCFSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171612 1072181550 /nfs/dbraw/zinc/18/15/50/1072181550.db2.gz TYDXGDJBMCQSSJ-OALUTQOASA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171612 1072181546 /nfs/dbraw/zinc/18/15/46/1072181546.db2.gz TYDXGDJBMCQSSJ-OALUTQOASA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171612 1072181544 /nfs/dbraw/zinc/18/15/44/1072181544.db2.gz TYDXGDJBMCQSSJ-OALUTQOASA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171613 1072181398 /nfs/dbraw/zinc/18/13/98/1072181398.db2.gz TYDXGDJBMCQSSJ-RBUKOAKNSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171613 1072181391 /nfs/dbraw/zinc/18/13/91/1072181391.db2.gz TYDXGDJBMCQSSJ-RBUKOAKNSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171613 1072181387 /nfs/dbraw/zinc/18/13/87/1072181387.db2.gz TYDXGDJBMCQSSJ-RBUKOAKNSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171614 1072181359 /nfs/dbraw/zinc/18/13/59/1072181359.db2.gz TYDXGDJBMCQSSJ-RTBURBONSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000671171614 1072181355 /nfs/dbraw/zinc/18/13/55/1072181355.db2.gz TYDXGDJBMCQSSJ-RTBURBONSA-N 2 1 408.591 -0.776 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171614 1072181352 /nfs/dbraw/zinc/18/13/52/1072181352.db2.gz TYDXGDJBMCQSSJ-RTBURBONSA-N 2 1 408.591 -0.776 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172966 1072182141 /nfs/dbraw/zinc/18/21/41/1072182141.db2.gz XUIDKLOOCXXDKR-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172966 1072182138 /nfs/dbraw/zinc/18/21/38/1072182138.db2.gz XUIDKLOOCXXDKR-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172966 1072182136 /nfs/dbraw/zinc/18/21/36/1072182136.db2.gz XUIDKLOOCXXDKR-PMACEKPBSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172967 1072182289 /nfs/dbraw/zinc/18/22/89/1072182289.db2.gz XUIDKLOOCXXDKR-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172967 1072182280 /nfs/dbraw/zinc/18/22/80/1072182280.db2.gz XUIDKLOOCXXDKR-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172967 1072182277 /nfs/dbraw/zinc/18/22/77/1072182277.db2.gz XUIDKLOOCXXDKR-UXHICEINSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172968 1072182087 /nfs/dbraw/zinc/18/20/87/1072182087.db2.gz XUIDKLOOCXXDKR-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172968 1072182083 /nfs/dbraw/zinc/18/20/83/1072182083.db2.gz XUIDKLOOCXXDKR-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172968 1072182078 /nfs/dbraw/zinc/18/20/78/1072182078.db2.gz XUIDKLOOCXXDKR-VQTJNVASSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172969 1072182190 /nfs/dbraw/zinc/18/21/90/1072182190.db2.gz XUIDKLOOCXXDKR-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172969 1072182188 /nfs/dbraw/zinc/18/21/88/1072182188.db2.gz XUIDKLOOCXXDKR-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671172969 1072182183 /nfs/dbraw/zinc/18/21/83/1072182183.db2.gz XUIDKLOOCXXDKR-WOJBJXKFSA-N 2 1 422.618 -0.385 20 0 HBADMP CN1CCN(c2ncccc2CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000671869322 1069127150 /nfs/dbraw/zinc/12/71/50/1069127150.db2.gz OYKVYYLQJQKCPP-UHFFFAOYSA-N 2 1 419.574 -0.599 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671912633 1069134774 /nfs/dbraw/zinc/13/47/74/1069134774.db2.gz CUGPOIXOCXXNGO-CRAIPNDOSA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671912633 1069134769 /nfs/dbraw/zinc/13/47/69/1069134769.db2.gz CUGPOIXOCXXNGO-CRAIPNDOSA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671912634 1069134709 /nfs/dbraw/zinc/13/47/09/1069134709.db2.gz CUGPOIXOCXXNGO-MAUKXSAKSA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671912634 1069134701 /nfs/dbraw/zinc/13/47/01/1069134701.db2.gz CUGPOIXOCXXNGO-MAUKXSAKSA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671912635 1069134845 /nfs/dbraw/zinc/13/48/45/1069134845.db2.gz CUGPOIXOCXXNGO-QAPCUYQASA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671912635 1069134840 /nfs/dbraw/zinc/13/48/40/1069134840.db2.gz CUGPOIXOCXXNGO-QAPCUYQASA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671912636 1069134822 /nfs/dbraw/zinc/13/48/22/1069134822.db2.gz CUGPOIXOCXXNGO-YJBOKZPZSA-N 2 1 419.526 -0.571 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671912636 1069134815 /nfs/dbraw/zinc/13/48/15/1069134815.db2.gz CUGPOIXOCXXNGO-YJBOKZPZSA-N 2 1 419.526 -0.571 20 0 HBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671981086 1069143969 /nfs/dbraw/zinc/14/39/69/1069143969.db2.gz LAXPILZVWSDQLV-INIZCTEOSA-N 2 1 402.499 -0.566 20 0 HBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671981087 1069144348 /nfs/dbraw/zinc/14/43/48/1069144348.db2.gz LAXPILZVWSDQLV-MRXNPFEDSA-N 2 1 402.499 -0.566 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008194 1069153247 /nfs/dbraw/zinc/15/32/47/1069153247.db2.gz IJSSIGNRUFUFOO-AOIWGVFYSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008194 1069153239 /nfs/dbraw/zinc/15/32/39/1069153239.db2.gz IJSSIGNRUFUFOO-AOIWGVFYSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008199 1069153207 /nfs/dbraw/zinc/15/32/07/1069153207.db2.gz IJSSIGNRUFUFOO-JENIJYKNSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008199 1069153201 /nfs/dbraw/zinc/15/32/01/1069153201.db2.gz IJSSIGNRUFUFOO-JENIJYKNSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008201 1069153159 /nfs/dbraw/zinc/15/31/59/1069153159.db2.gz IJSSIGNRUFUFOO-LNLFQRSKSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672008201 1069153154 /nfs/dbraw/zinc/15/31/54/1069153154.db2.gz IJSSIGNRUFUFOO-LNLFQRSKSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008205 1069153012 /nfs/dbraw/zinc/15/30/12/1069153012.db2.gz IJSSIGNRUFUFOO-ZIFCJYIRSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672008205 1069153001 /nfs/dbraw/zinc/15/30/01/1069153001.db2.gz IJSSIGNRUFUFOO-ZIFCJYIRSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015573 1069156000 /nfs/dbraw/zinc/15/60/00/1069156000.db2.gz YVZYQGJLLOCURB-INIZCTEOSA-N 2 1 407.559 -0.155 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015574 1069155955 /nfs/dbraw/zinc/15/59/55/1069155955.db2.gz YVZYQGJLLOCURB-MRXNPFEDSA-N 2 1 407.559 -0.155 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672111120 1069190088 /nfs/dbraw/zinc/19/00/88/1069190088.db2.gz AXRIKMCQVWXZGY-GOSISDBHSA-N 2 1 416.526 -0.211 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672111121 1069189924 /nfs/dbraw/zinc/18/99/24/1069189924.db2.gz AXRIKMCQVWXZGY-SFHVURJKSA-N 2 1 416.526 -0.211 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672164389 1069205704 /nfs/dbraw/zinc/20/57/04/1069205704.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672164389 1069205691 /nfs/dbraw/zinc/20/56/91/1069205691.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164389 1069205683 /nfs/dbraw/zinc/20/56/83/1069205683.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164389 1069205674 /nfs/dbraw/zinc/20/56/74/1069205674.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164389 1069205660 /nfs/dbraw/zinc/20/56/60/1069205660.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672164390 1069205557 /nfs/dbraw/zinc/20/55/57/1069205557.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672164390 1069205549 /nfs/dbraw/zinc/20/55/49/1069205549.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164390 1069205540 /nfs/dbraw/zinc/20/55/40/1069205540.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164390 1069205531 /nfs/dbraw/zinc/20/55/31/1069205531.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164390 1069205523 /nfs/dbraw/zinc/20/55/23/1069205523.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672164391 1069206042 /nfs/dbraw/zinc/20/60/42/1069206042.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672164391 1069206038 /nfs/dbraw/zinc/20/60/38/1069206038.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164391 1069206033 /nfs/dbraw/zinc/20/60/33/1069206033.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164391 1069206027 /nfs/dbraw/zinc/20/60/27/1069206027.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164391 1069206022 /nfs/dbraw/zinc/20/60/22/1069206022.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672164392 1069205903 /nfs/dbraw/zinc/20/59/03/1069205903.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672164392 1069205895 /nfs/dbraw/zinc/20/58/95/1069205895.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164392 1069205887 /nfs/dbraw/zinc/20/58/87/1069205887.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672164392 1069205878 /nfs/dbraw/zinc/20/58/78/1069205878.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 1 409.575 -0.160 20 0 HBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164392 1069205865 /nfs/dbraw/zinc/20/58/65/1069205865.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 1 409.575 -0.160 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672165905 1069205966 /nfs/dbraw/zinc/20/59/66/1069205966.db2.gz JBZDVCAOVOVDBZ-GOSISDBHSA-N 2 1 409.575 -0.112 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672165905 1069205961 /nfs/dbraw/zinc/20/59/61/1069205961.db2.gz JBZDVCAOVOVDBZ-GOSISDBHSA-N 2 1 409.575 -0.112 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672165906 1069205785 /nfs/dbraw/zinc/20/57/85/1069205785.db2.gz JBZDVCAOVOVDBZ-SFHVURJKSA-N 2 1 409.575 -0.112 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672165906 1069205773 /nfs/dbraw/zinc/20/57/73/1069205773.db2.gz JBZDVCAOVOVDBZ-SFHVURJKSA-N 2 1 409.575 -0.112 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672165953 1069205998 /nfs/dbraw/zinc/20/59/98/1069205998.db2.gz YHFSDPXRYOGYKL-IBGZPJMESA-N 2 1 409.575 -0.158 20 0 HBADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672165954 1069206010 /nfs/dbraw/zinc/20/60/10/1069206010.db2.gz YHFSDPXRYOGYKL-LJQANCHMSA-N 2 1 409.575 -0.158 20 0 HBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301552 1069219590 /nfs/dbraw/zinc/21/95/90/1069219590.db2.gz ZIWXMMZUDIZZQN-KRWDZBQOSA-N 2 1 403.531 -0.295 20 0 HBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301553 1069219178 /nfs/dbraw/zinc/21/91/78/1069219178.db2.gz ZIWXMMZUDIZZQN-QGZVFWFLSA-N 2 1 403.531 -0.295 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672304137 1069219548 /nfs/dbraw/zinc/21/95/48/1069219548.db2.gz JBZCYSBFWBSEOG-IBGZPJMESA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672304137 1069219539 /nfs/dbraw/zinc/21/95/39/1069219539.db2.gz JBZCYSBFWBSEOG-IBGZPJMESA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672304138 1069219044 /nfs/dbraw/zinc/21/90/44/1069219044.db2.gz JBZCYSBFWBSEOG-LJQANCHMSA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672304138 1069219039 /nfs/dbraw/zinc/21/90/39/1069219039.db2.gz JBZCYSBFWBSEOG-LJQANCHMSA-N 2 1 419.570 -0.010 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672309538 1069221319 /nfs/dbraw/zinc/22/13/19/1069221319.db2.gz WLIPRTHKPDDYNC-GOSISDBHSA-N 2 1 405.543 -0.401 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309538 1069221311 /nfs/dbraw/zinc/22/13/11/1069221311.db2.gz WLIPRTHKPDDYNC-GOSISDBHSA-N 2 1 405.543 -0.401 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672309539 1069220860 /nfs/dbraw/zinc/22/08/60/1069220860.db2.gz WLIPRTHKPDDYNC-SFHVURJKSA-N 2 1 405.543 -0.401 20 0 HBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309539 1069220848 /nfs/dbraw/zinc/22/08/48/1069220848.db2.gz WLIPRTHKPDDYNC-SFHVURJKSA-N 2 1 405.543 -0.401 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)C1 ZINC000672313314 1069221189 /nfs/dbraw/zinc/22/11/89/1069221189.db2.gz AMVOODIXRIWNPY-IBGZPJMESA-N 2 1 421.586 -0.014 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)C1 ZINC000672313315 1069222006 /nfs/dbraw/zinc/22/20/06/1069222006.db2.gz AMVOODIXRIWNPY-LJQANCHMSA-N 2 1 421.586 -0.014 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000672331134 1069223290 /nfs/dbraw/zinc/22/32/90/1069223290.db2.gz MWUOXPMPHVGVIO-KRWDZBQOSA-N 2 1 405.543 -0.114 20 0 HBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000672331135 1069223141 /nfs/dbraw/zinc/22/31/41/1069223141.db2.gz MWUOXPMPHVGVIO-QGZVFWFLSA-N 2 1 405.543 -0.114 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000672513111 1069243674 /nfs/dbraw/zinc/24/36/74/1069243674.db2.gz RNODQABKCSMYJK-AEFFLSMTSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000672513112 1069243819 /nfs/dbraw/zinc/24/38/19/1069243819.db2.gz RNODQABKCSMYJK-FUHWJXTLSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000672513113 1069244003 /nfs/dbraw/zinc/24/40/03/1069244003.db2.gz RNODQABKCSMYJK-SJLPKXTDSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000672513114 1069244015 /nfs/dbraw/zinc/24/40/15/1069244015.db2.gz RNODQABKCSMYJK-WMZOPIPTSA-N 2 1 407.559 -0.012 20 0 HBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672513785 1069244347 /nfs/dbraw/zinc/24/43/47/1069244347.db2.gz HNYSEBOVKDDCDM-UHFFFAOYSA-N 2 1 402.499 -0.601 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000672596843 1069250414 /nfs/dbraw/zinc/25/04/14/1069250414.db2.gz RSECDSUHDYHSFH-LMMKCTJWSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596844 1069250299 /nfs/dbraw/zinc/25/02/99/1069250299.db2.gz RSECDSUHDYHSFH-SCTDSRPQSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596844 1069250292 /nfs/dbraw/zinc/25/02/92/1069250292.db2.gz RSECDSUHDYHSFH-SCTDSRPQSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596844 1069250287 /nfs/dbraw/zinc/25/02/87/1069250287.db2.gz RSECDSUHDYHSFH-SCTDSRPQSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000672596845 1069250083 /nfs/dbraw/zinc/25/00/83/1069250083.db2.gz RSECDSUHDYHSFH-ZHALLVOQSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596846 1069250257 /nfs/dbraw/zinc/25/02/57/1069250257.db2.gz RSECDSUHDYHSFH-ZIFCJYIRSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596846 1069250247 /nfs/dbraw/zinc/25/02/47/1069250247.db2.gz RSECDSUHDYHSFH-ZIFCJYIRSA-N 2 1 409.575 -0.304 20 0 HBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596846 1069250236 /nfs/dbraw/zinc/25/02/36/1069250236.db2.gz RSECDSUHDYHSFH-ZIFCJYIRSA-N 2 1 409.575 -0.304 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254610 /nfs/dbraw/zinc/25/46/10/1069254610.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254602 /nfs/dbraw/zinc/25/46/02/1069254602.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254594 /nfs/dbraw/zinc/25/45/94/1069254594.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254583 /nfs/dbraw/zinc/25/45/83/1069254583.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 1 408.591 -0.587 20 0 HBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254577 /nfs/dbraw/zinc/25/45/77/1069254577.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255763 /nfs/dbraw/zinc/25/57/63/1069255763.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255755 /nfs/dbraw/zinc/25/57/55/1069255755.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255744 /nfs/dbraw/zinc/25/57/44/1069255744.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 1 408.591 -0.587 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255733 /nfs/dbraw/zinc/25/57/33/1069255733.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 1 408.591 -0.587 20 0 HBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255729 /nfs/dbraw/zinc/25/57/29/1069255729.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 1 408.591 -0.587 20 0 HBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638041 1069255020 /nfs/dbraw/zinc/25/50/20/1069255020.db2.gz CPOAEBTXKCHCHI-MSOLQXFVSA-N 2 1 421.586 -0.017 20 0 HBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638045 1069255297 /nfs/dbraw/zinc/25/52/97/1069255297.db2.gz CPOAEBTXKCHCHI-QZTJIDSGSA-N 2 1 421.586 -0.017 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)C2)CC1 ZINC000672639118 1069258245 /nfs/dbraw/zinc/25/82/45/1069258245.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)C2)CC1 ZINC000672639118 1069258231 /nfs/dbraw/zinc/25/82/31/1069258231.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH+](C)CCCO)CC3)C2)CC1 ZINC000672639118 1069258221 /nfs/dbraw/zinc/25/82/21/1069258221.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH+](C)CCCO)CC3)C2)CC1 ZINC000672639118 1069258212 /nfs/dbraw/zinc/25/82/12/1069258212.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 1 409.575 -0.424 20 0 HBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258203 /nfs/dbraw/zinc/25/82/03/1069258203.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)C2)CC1 ZINC000672639119 1069258085 /nfs/dbraw/zinc/25/80/85/1069258085.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)C2)CC1 ZINC000672639119 1069258074 /nfs/dbraw/zinc/25/80/74/1069258074.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH+](C)CCCO)CC3)C2)CC1 ZINC000672639119 1069258068 /nfs/dbraw/zinc/25/80/68/1069258068.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH+](C)CCCO)CC3)C2)CC1 ZINC000672639119 1069258059 /nfs/dbraw/zinc/25/80/59/1069258059.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 1 409.575 -0.424 20 0 HBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258051 /nfs/dbraw/zinc/25/80/51/1069258051.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 1 409.575 -0.424 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255161 /nfs/dbraw/zinc/25/51/61/1069255161.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255152 /nfs/dbraw/zinc/25/51/52/1069255152.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255143 /nfs/dbraw/zinc/25/51/43/1069255143.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255135 /nfs/dbraw/zinc/25/51/35/1069255135.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 1 420.602 -0.491 20 0 HBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255125 /nfs/dbraw/zinc/25/51/25/1069255125.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255609 /nfs/dbraw/zinc/25/56/09/1069255609.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255598 /nfs/dbraw/zinc/25/55/98/1069255598.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255584 /nfs/dbraw/zinc/25/55/84/1069255584.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255572 /nfs/dbraw/zinc/25/55/72/1069255572.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 1 420.602 -0.491 20 0 HBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255563 /nfs/dbraw/zinc/25/55/63/1069255563.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255854 /nfs/dbraw/zinc/25/58/54/1069255854.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255846 /nfs/dbraw/zinc/25/58/46/1069255846.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255841 /nfs/dbraw/zinc/25/58/41/1069255841.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255833 /nfs/dbraw/zinc/25/58/33/1069255833.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 1 420.602 -0.491 20 0 HBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255830 /nfs/dbraw/zinc/25/58/30/1069255830.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255442 /nfs/dbraw/zinc/25/54/42/1069255442.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255432 /nfs/dbraw/zinc/25/54/32/1069255432.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255417 /nfs/dbraw/zinc/25/54/17/1069255417.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 1 420.602 -0.491 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255403 /nfs/dbraw/zinc/25/54/03/1069255403.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 1 420.602 -0.491 20 0 HBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255389 /nfs/dbraw/zinc/25/53/89/1069255389.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 1 420.602 -0.491 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640867 1069260181 /nfs/dbraw/zinc/26/01/81/1069260181.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640867 1069260175 /nfs/dbraw/zinc/26/01/75/1069260175.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640867 1069260170 /nfs/dbraw/zinc/26/01/70/1069260170.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640867 1069260162 /nfs/dbraw/zinc/26/01/62/1069260162.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260158 /nfs/dbraw/zinc/26/01/58/1069260158.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640871 1069260525 /nfs/dbraw/zinc/26/05/25/1069260525.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640871 1069260516 /nfs/dbraw/zinc/26/05/16/1069260516.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640871 1069260506 /nfs/dbraw/zinc/26/05/06/1069260506.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640871 1069260495 /nfs/dbraw/zinc/26/04/95/1069260495.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260481 /nfs/dbraw/zinc/26/04/81/1069260481.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640872 1069260774 /nfs/dbraw/zinc/26/07/74/1069260774.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640872 1069260765 /nfs/dbraw/zinc/26/07/65/1069260765.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640872 1069260757 /nfs/dbraw/zinc/26/07/57/1069260757.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640872 1069260747 /nfs/dbraw/zinc/26/07/47/1069260747.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260739 /nfs/dbraw/zinc/26/07/39/1069260739.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640873 1069260277 /nfs/dbraw/zinc/26/02/77/1069260277.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640873 1069260266 /nfs/dbraw/zinc/26/02/66/1069260266.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640873 1069260250 /nfs/dbraw/zinc/26/02/50/1069260250.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000672640873 1069260234 /nfs/dbraw/zinc/26/02/34/1069260234.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 1 409.575 -0.112 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260226 /nfs/dbraw/zinc/26/02/26/1069260226.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 1 409.575 -0.112 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2)CC1 ZINC000672641048 1069259523 /nfs/dbraw/zinc/25/95/23/1069259523.db2.gz MOHGLXXNBSEMNM-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2)CC1 ZINC000672641048 1069259520 /nfs/dbraw/zinc/25/95/20/1069259520.db2.gz MOHGLXXNBSEMNM-KRWDZBQOSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2)CC1 ZINC000672641049 1069260851 /nfs/dbraw/zinc/26/08/51/1069260851.db2.gz MOHGLXXNBSEMNM-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)C2)CC1 ZINC000672641049 1069260842 /nfs/dbraw/zinc/26/08/42/1069260842.db2.gz MOHGLXXNBSEMNM-QGZVFWFLSA-N 2 1 409.575 -0.160 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672642203 1069261520 /nfs/dbraw/zinc/26/15/20/1069261520.db2.gz YZCOTUCLJWUAIV-FGTMMUONSA-N 2 1 409.575 -0.113 20 0 HBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672642204 1069261616 /nfs/dbraw/zinc/26/16/16/1069261616.db2.gz YZCOTUCLJWUAIV-KSZLIROESA-N 2 1 409.575 -0.113 20 0 HBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642555 1069260817 /nfs/dbraw/zinc/26/08/17/1069260817.db2.gz CPOAEBTXKCHCHI-ROUUACIJSA-N 2 1 421.586 -0.017 20 0 HBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642556 1069260445 /nfs/dbraw/zinc/26/04/45/1069260445.db2.gz CPOAEBTXKCHCHI-ZWKOTPCHSA-N 2 1 421.586 -0.017 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)CC1 ZINC000672642609 1069261392 /nfs/dbraw/zinc/26/13/92/1069261392.db2.gz PAWFHQHOCLQJOS-HKUYNNGSSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)CC1 ZINC000672642609 1069261382 /nfs/dbraw/zinc/26/13/82/1069261382.db2.gz PAWFHQHOCLQJOS-HKUYNNGSSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)CC1 ZINC000672642610 1069261339 /nfs/dbraw/zinc/26/13/39/1069261339.db2.gz PAWFHQHOCLQJOS-IEBWSBKVSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)CC1 ZINC000672642610 1069261331 /nfs/dbraw/zinc/26/13/31/1069261331.db2.gz PAWFHQHOCLQJOS-IEBWSBKVSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)CC1 ZINC000672642611 1069262351 /nfs/dbraw/zinc/26/23/51/1069262351.db2.gz PAWFHQHOCLQJOS-MJGOQNOKSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C2)CC1 ZINC000672642611 1069262337 /nfs/dbraw/zinc/26/23/37/1069262337.db2.gz PAWFHQHOCLQJOS-MJGOQNOKSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)CC1 ZINC000672642612 1069262161 /nfs/dbraw/zinc/26/21/61/1069262161.db2.gz PAWFHQHOCLQJOS-PKOBYXMFSA-N 2 1 409.575 -0.160 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C2)CC1 ZINC000672642612 1069262151 /nfs/dbraw/zinc/26/21/51/1069262151.db2.gz PAWFHQHOCLQJOS-PKOBYXMFSA-N 2 1 409.575 -0.160 20 0 HBADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000672697271 1069266106 /nfs/dbraw/zinc/26/61/06/1069266106.db2.gz QCTQTJNXUQCCFB-GOSISDBHSA-N 2 1 407.559 -0.010 20 0 HBADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000672697273 1069266355 /nfs/dbraw/zinc/26/63/55/1069266355.db2.gz QCTQTJNXUQCCFB-SFHVURJKSA-N 2 1 407.559 -0.010 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672854327 1069273608 /nfs/dbraw/zinc/27/36/08/1069273608.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672854327 1069273604 /nfs/dbraw/zinc/27/36/04/1069273604.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672854327 1069273595 /nfs/dbraw/zinc/27/35/95/1069273595.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672854327 1069273589 /nfs/dbraw/zinc/27/35/89/1069273589.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273581 /nfs/dbraw/zinc/27/35/81/1069273581.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672854328 1069273817 /nfs/dbraw/zinc/27/38/17/1069273817.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672854328 1069273814 /nfs/dbraw/zinc/27/38/14/1069273814.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672854328 1069273812 /nfs/dbraw/zinc/27/38/12/1069273812.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672854328 1069273809 /nfs/dbraw/zinc/27/38/09/1069273809.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273804 /nfs/dbraw/zinc/27/38/04/1069273804.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 1 422.618 -0.245 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)C1 ZINC000672854681 1069273785 /nfs/dbraw/zinc/27/37/85/1069273785.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)C1 ZINC000672854681 1069273784 /nfs/dbraw/zinc/27/37/84/1069273784.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1(C)C ZINC000672854681 1069273780 /nfs/dbraw/zinc/27/37/80/1069273780.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)C1 ZINC000672854682 1069273740 /nfs/dbraw/zinc/27/37/40/1069273740.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)C1 ZINC000672854682 1069273736 /nfs/dbraw/zinc/27/37/36/1069273736.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 2 1 408.591 -0.633 20 0 HBADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1(C)C ZINC000672854682 1069273729 /nfs/dbraw/zinc/27/37/29/1069273729.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 2 1 408.591 -0.633 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC000673014922 1069280624 /nfs/dbraw/zinc/28/06/24/1069280624.db2.gz WRYCJFQSYSZILD-AZUAARDMSA-N 2 1 421.586 -0.158 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC000673014923 1069280806 /nfs/dbraw/zinc/28/08/06/1069280806.db2.gz WRYCJFQSYSZILD-ICSRJNTNSA-N 2 1 421.586 -0.158 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC000673014924 1069280932 /nfs/dbraw/zinc/28/09/32/1069280932.db2.gz WRYCJFQSYSZILD-QUCCMNQESA-N 2 1 421.586 -0.158 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC000673014925 1069280591 /nfs/dbraw/zinc/28/05/91/1069280591.db2.gz WRYCJFQSYSZILD-UYAOXDASSA-N 2 1 421.586 -0.158 20 0 HBADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673150098 1069289459 /nfs/dbraw/zinc/28/94/59/1069289459.db2.gz YOJXKPSUIRSLLQ-INIZCTEOSA-N 2 1 418.542 -0.098 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673424226 1069320353 /nfs/dbraw/zinc/32/03/53/1069320353.db2.gz KFXMSYXMUPKXCV-IPELMVKDSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673424226 1069320340 /nfs/dbraw/zinc/32/03/40/1069320340.db2.gz KFXMSYXMUPKXCV-IPELMVKDSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673424226 1069320326 /nfs/dbraw/zinc/32/03/26/1069320326.db2.gz KFXMSYXMUPKXCV-IPELMVKDSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673424226 1069320312 /nfs/dbraw/zinc/32/03/12/1069320312.db2.gz KFXMSYXMUPKXCV-IPELMVKDSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673424227 1069319915 /nfs/dbraw/zinc/31/99/15/1069319915.db2.gz KFXMSYXMUPKXCV-KFKAGJAMSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673424227 1069319899 /nfs/dbraw/zinc/31/98/99/1069319899.db2.gz KFXMSYXMUPKXCV-KFKAGJAMSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1C[NH+](C)CCO1 ZINC000673424227 1069319884 /nfs/dbraw/zinc/31/98/84/1069319884.db2.gz KFXMSYXMUPKXCV-KFKAGJAMSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1C[NH+](C)CCO1 ZINC000673424227 1069319869 /nfs/dbraw/zinc/31/98/69/1069319869.db2.gz KFXMSYXMUPKXCV-KFKAGJAMSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673424228 1069320477 /nfs/dbraw/zinc/32/04/77/1069320477.db2.gz KFXMSYXMUPKXCV-SNRMKQJTSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673424228 1069320462 /nfs/dbraw/zinc/32/04/62/1069320462.db2.gz KFXMSYXMUPKXCV-SNRMKQJTSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673424228 1069320446 /nfs/dbraw/zinc/32/04/46/1069320446.db2.gz KFXMSYXMUPKXCV-SNRMKQJTSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673424228 1069320428 /nfs/dbraw/zinc/32/04/28/1069320428.db2.gz KFXMSYXMUPKXCV-SNRMKQJTSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673424229 1069320133 /nfs/dbraw/zinc/32/01/33/1069320133.db2.gz KFXMSYXMUPKXCV-ZYSHUDEJSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673424229 1069320120 /nfs/dbraw/zinc/32/01/20/1069320120.db2.gz KFXMSYXMUPKXCV-ZYSHUDEJSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[NH+](C)CCO1 ZINC000673424229 1069320104 /nfs/dbraw/zinc/32/01/04/1069320104.db2.gz KFXMSYXMUPKXCV-ZYSHUDEJSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1C[NH+](C)CCO1 ZINC000673424229 1069320085 /nfs/dbraw/zinc/32/00/85/1069320085.db2.gz KFXMSYXMUPKXCV-ZYSHUDEJSA-N 2 1 404.511 -0.295 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000673428092 1069322763 /nfs/dbraw/zinc/32/27/63/1069322763.db2.gz XZOMQSJVRDAERR-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000673428092 1069322748 /nfs/dbraw/zinc/32/27/48/1069322748.db2.gz XZOMQSJVRDAERR-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428092 1069322735 /nfs/dbraw/zinc/32/27/35/1069322735.db2.gz XZOMQSJVRDAERR-MOPGFXCFSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000673428094 1069322461 /nfs/dbraw/zinc/32/24/61/1069322461.db2.gz XZOMQSJVRDAERR-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000673428094 1069322449 /nfs/dbraw/zinc/32/24/49/1069322449.db2.gz XZOMQSJVRDAERR-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428094 1069322436 /nfs/dbraw/zinc/32/24/36/1069322436.db2.gz XZOMQSJVRDAERR-OALUTQOASA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000673428096 1069322612 /nfs/dbraw/zinc/32/26/12/1069322612.db2.gz XZOMQSJVRDAERR-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000673428096 1069322599 /nfs/dbraw/zinc/32/25/99/1069322599.db2.gz XZOMQSJVRDAERR-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428096 1069322589 /nfs/dbraw/zinc/32/25/89/1069322589.db2.gz XZOMQSJVRDAERR-RBUKOAKNSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000673428097 1069322349 /nfs/dbraw/zinc/32/23/49/1069322349.db2.gz XZOMQSJVRDAERR-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000673428097 1069322333 /nfs/dbraw/zinc/32/23/33/1069322333.db2.gz XZOMQSJVRDAERR-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428097 1069322318 /nfs/dbraw/zinc/32/23/18/1069322318.db2.gz XZOMQSJVRDAERR-RTBURBONSA-N 2 1 409.575 -0.158 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582980 1069367390 /nfs/dbraw/zinc/36/73/90/1069367390.db2.gz DXEUCWAYBPTBPZ-MSOLQXFVSA-N 2 1 423.558 -0.897 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582981 1069367201 /nfs/dbraw/zinc/36/72/01/1069367201.db2.gz DXEUCWAYBPTBPZ-QZTJIDSGSA-N 2 1 423.558 -0.897 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582982 1069367316 /nfs/dbraw/zinc/36/73/16/1069367316.db2.gz DXEUCWAYBPTBPZ-ROUUACIJSA-N 2 1 423.558 -0.897 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582983 1069367455 /nfs/dbraw/zinc/36/74/55/1069367455.db2.gz DXEUCWAYBPTBPZ-ZWKOTPCHSA-N 2 1 423.558 -0.897 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584418 1069368145 /nfs/dbraw/zinc/36/81/45/1069368145.db2.gz DJQBKSUZJCTNBH-DFQSSKMNSA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584418 1069368136 /nfs/dbraw/zinc/36/81/36/1069368136.db2.gz DJQBKSUZJCTNBH-DFQSSKMNSA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584419 1069367943 /nfs/dbraw/zinc/36/79/43/1069367943.db2.gz DJQBKSUZJCTNBH-IHPCNDPISA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584419 1069367931 /nfs/dbraw/zinc/36/79/31/1069367931.db2.gz DJQBKSUZJCTNBH-IHPCNDPISA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584420 1069368114 /nfs/dbraw/zinc/36/81/14/1069368114.db2.gz DJQBKSUZJCTNBH-SXLOBPIMSA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584420 1069368106 /nfs/dbraw/zinc/36/81/06/1069368106.db2.gz DJQBKSUZJCTNBH-SXLOBPIMSA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584421 1069367860 /nfs/dbraw/zinc/36/78/60/1069367860.db2.gz DJQBKSUZJCTNBH-YSIASYRMSA-N 2 1 421.586 -0.235 20 0 HBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584421 1069367850 /nfs/dbraw/zinc/36/78/50/1069367850.db2.gz DJQBKSUZJCTNBH-YSIASYRMSA-N 2 1 421.586 -0.235 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000673584551 1069367908 /nfs/dbraw/zinc/36/79/08/1069367908.db2.gz SQAGLMICTDPAIL-SLFFLAALSA-N 2 1 421.586 -0.281 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000673584552 1069367771 /nfs/dbraw/zinc/36/77/71/1069367771.db2.gz SQAGLMICTDPAIL-UFYCRDLUSA-N 2 1 421.586 -0.281 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000673584553 1069368059 /nfs/dbraw/zinc/36/80/59/1069368059.db2.gz SQAGLMICTDPAIL-XUVXKRRUSA-N 2 1 421.586 -0.281 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000673584554 1069367990 /nfs/dbraw/zinc/36/79/90/1069367990.db2.gz SQAGLMICTDPAIL-ZCNNSNEGSA-N 2 1 421.586 -0.281 20 0 HBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234012 1069437179 /nfs/dbraw/zinc/43/71/79/1069437179.db2.gz WDOLTKVMGLAHTI-HFZJXRFXSA-N 2 1 408.590 -0.430 20 0 HBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234012 1069437176 /nfs/dbraw/zinc/43/71/76/1069437176.db2.gz WDOLTKVMGLAHTI-HFZJXRFXSA-N 2 1 408.590 -0.430 20 0 HBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234019 1069437112 /nfs/dbraw/zinc/43/71/12/1069437112.db2.gz WDOLTKVMGLAHTI-PIGHNIFASA-N 2 1 408.590 -0.430 20 0 HBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234019 1069437105 /nfs/dbraw/zinc/43/71/05/1069437105.db2.gz WDOLTKVMGLAHTI-PIGHNIFASA-N 2 1 408.590 -0.430 20 0 HBADMP CCN1C(=O)[C@@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500562 1069457038 /nfs/dbraw/zinc/45/70/38/1069457038.db2.gz BUEHYDKEAFPEMG-HOTGVXAUSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500562 1069457032 /nfs/dbraw/zinc/45/70/32/1069457032.db2.gz BUEHYDKEAFPEMG-HOTGVXAUSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674500563 1069457239 /nfs/dbraw/zinc/45/72/39/1069457239.db2.gz BUEHYDKEAFPEMG-HZPDHXFCSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674500563 1069457234 /nfs/dbraw/zinc/45/72/34/1069457234.db2.gz BUEHYDKEAFPEMG-HZPDHXFCSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500564 1069457217 /nfs/dbraw/zinc/45/72/17/1069457217.db2.gz BUEHYDKEAFPEMG-IYBDPMFKSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500564 1069457214 /nfs/dbraw/zinc/45/72/14/1069457214.db2.gz BUEHYDKEAFPEMG-IYBDPMFKSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[N@@H+](CCCC[NH+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500564 1069457205 /nfs/dbraw/zinc/45/72/05/1069457205.db2.gz BUEHYDKEAFPEMG-IYBDPMFKSA-N 2 1 420.514 -0.297 20 0 HBADMP CCN1C(=O)[C@H]2C[N@H+](CCCC[NH+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674500564 1069457201 /nfs/dbraw/zinc/45/72/01/1069457201.db2.gz BUEHYDKEAFPEMG-IYBDPMFKSA-N 2 1 420.514 -0.297 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675537387 1069492793 /nfs/dbraw/zinc/49/27/93/1069492793.db2.gz WEQHNNATKMWNCX-GOSISDBHSA-N 2 1 410.563 -0.802 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675537387 1069492788 /nfs/dbraw/zinc/49/27/88/1069492788.db2.gz WEQHNNATKMWNCX-GOSISDBHSA-N 2 1 410.563 -0.802 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675537388 1069492964 /nfs/dbraw/zinc/49/29/64/1069492964.db2.gz WEQHNNATKMWNCX-SFHVURJKSA-N 2 1 410.563 -0.802 20 0 HBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675537388 1069492963 /nfs/dbraw/zinc/49/29/63/1069492963.db2.gz WEQHNNATKMWNCX-SFHVURJKSA-N 2 1 410.563 -0.802 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675993054 1069507297 /nfs/dbraw/zinc/50/72/97/1069507297.db2.gz WCIHAXNSIIMRPE-MOPGFXCFSA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675993054 1069507290 /nfs/dbraw/zinc/50/72/90/1069507290.db2.gz WCIHAXNSIIMRPE-MOPGFXCFSA-N 2 1 422.574 -0.659 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993054 1069507281 /nfs/dbraw/zinc/50/72/81/1069507281.db2.gz WCIHAXNSIIMRPE-MOPGFXCFSA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675993055 1069507535 /nfs/dbraw/zinc/50/75/35/1069507535.db2.gz WCIHAXNSIIMRPE-OALUTQOASA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675993055 1069507524 /nfs/dbraw/zinc/50/75/24/1069507524.db2.gz WCIHAXNSIIMRPE-OALUTQOASA-N 2 1 422.574 -0.659 20 0 HBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993055 1069507517 /nfs/dbraw/zinc/50/75/17/1069507517.db2.gz WCIHAXNSIIMRPE-OALUTQOASA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675993056 1069507631 /nfs/dbraw/zinc/50/76/31/1069507631.db2.gz WCIHAXNSIIMRPE-RBUKOAKNSA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675993056 1069507626 /nfs/dbraw/zinc/50/76/26/1069507626.db2.gz WCIHAXNSIIMRPE-RBUKOAKNSA-N 2 1 422.574 -0.659 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993056 1069507621 /nfs/dbraw/zinc/50/76/21/1069507621.db2.gz WCIHAXNSIIMRPE-RBUKOAKNSA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000675993057 1069507444 /nfs/dbraw/zinc/50/74/44/1069507444.db2.gz WCIHAXNSIIMRPE-RTBURBONSA-N 2 1 422.574 -0.659 20 0 HBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000675993057 1069507434 /nfs/dbraw/zinc/50/74/34/1069507434.db2.gz WCIHAXNSIIMRPE-RTBURBONSA-N 2 1 422.574 -0.659 20 0 HBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993057 1069507421 /nfs/dbraw/zinc/50/74/21/1069507421.db2.gz WCIHAXNSIIMRPE-RTBURBONSA-N 2 1 422.574 -0.659 20 0 HBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092793 1069509129 /nfs/dbraw/zinc/50/91/29/1069509129.db2.gz ARNVCYCXNVNDBP-INIZCTEOSA-N 2 1 407.519 -0.558 20 0 HBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092794 1069509168 /nfs/dbraw/zinc/50/91/68/1069509168.db2.gz ARNVCYCXNVNDBP-MRXNPFEDSA-N 2 1 407.519 -0.558 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000676095778 1069509470 /nfs/dbraw/zinc/50/94/70/1069509470.db2.gz WQGBYQHAJNJINS-HNNXBMFYSA-N 2 1 405.503 -0.900 20 0 HBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000676095860 1069509547 /nfs/dbraw/zinc/50/95/47/1069509547.db2.gz WQGBYQHAJNJINS-OAHLLOKOSA-N 2 1 405.503 -0.900 20 0 HBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000676099447 1069510652 /nfs/dbraw/zinc/51/06/52/1069510652.db2.gz BAYQCTMWAGKALP-INIZCTEOSA-N 2 1 405.503 -0.852 20 0 HBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000676099448 1069510572 /nfs/dbraw/zinc/51/05/72/1069510572.db2.gz BAYQCTMWAGKALP-MRXNPFEDSA-N 2 1 405.503 -0.852 20 0 HBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278031 1069517366 /nfs/dbraw/zinc/51/73/66/1069517366.db2.gz DTEXPMYJCQMSIE-CXAGYDPISA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278031 1069517352 /nfs/dbraw/zinc/51/73/52/1069517352.db2.gz DTEXPMYJCQMSIE-CXAGYDPISA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278032 1069517577 /nfs/dbraw/zinc/51/75/77/1069517577.db2.gz DTEXPMYJCQMSIE-DYVFJYSZSA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278032 1069517573 /nfs/dbraw/zinc/51/75/73/1069517573.db2.gz DTEXPMYJCQMSIE-DYVFJYSZSA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278033 1069517651 /nfs/dbraw/zinc/51/76/51/1069517651.db2.gz DTEXPMYJCQMSIE-GUYCJALGSA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278033 1069517648 /nfs/dbraw/zinc/51/76/48/1069517648.db2.gz DTEXPMYJCQMSIE-GUYCJALGSA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278034 1069517707 /nfs/dbraw/zinc/51/77/07/1069517707.db2.gz DTEXPMYJCQMSIE-SUMWQHHRSA-N 2 1 419.482 -0.070 20 0 HBADMP C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278034 1069517704 /nfs/dbraw/zinc/51/77/04/1069517704.db2.gz DTEXPMYJCQMSIE-SUMWQHHRSA-N 2 1 419.482 -0.070 20 0 HBADMP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683223039 1068248956 /nfs/dbraw/zinc/24/89/56/1068248956.db2.gz OKUGGCPFUNRLFK-INIZCTEOSA-N 2 1 404.581 -0.371 20 0 HBADMP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683223039 1068248943 /nfs/dbraw/zinc/24/89/43/1068248943.db2.gz OKUGGCPFUNRLFK-INIZCTEOSA-N 2 1 404.581 -0.371 20 0 HBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310180 1068864733 /nfs/dbraw/zinc/86/47/33/1068864733.db2.gz HNPRWTRJRJGWGB-CRAIPNDOSA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310180 1068864718 /nfs/dbraw/zinc/86/47/18/1068864718.db2.gz HNPRWTRJRJGWGB-CRAIPNDOSA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310181 1068864364 /nfs/dbraw/zinc/86/43/64/1068864364.db2.gz HNPRWTRJRJGWGB-MAUKXSAKSA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310181 1068864354 /nfs/dbraw/zinc/86/43/54/1068864354.db2.gz HNPRWTRJRJGWGB-MAUKXSAKSA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310182 1068864507 /nfs/dbraw/zinc/86/45/07/1068864507.db2.gz HNPRWTRJRJGWGB-QAPCUYQASA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310182 1068864496 /nfs/dbraw/zinc/86/44/96/1068864496.db2.gz HNPRWTRJRJGWGB-QAPCUYQASA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310183 1068864932 /nfs/dbraw/zinc/86/49/32/1068864932.db2.gz HNPRWTRJRJGWGB-YJBOKZPZSA-N 2 1 405.543 -0.402 20 0 HBADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685310183 1068864913 /nfs/dbraw/zinc/86/49/13/1068864913.db2.gz HNPRWTRJRJGWGB-YJBOKZPZSA-N 2 1 405.543 -0.402 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685337643 1068888274 /nfs/dbraw/zinc/88/82/74/1068888274.db2.gz GDEJWJOAAAXFFP-HKUYNNGSSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685337643 1068888262 /nfs/dbraw/zinc/88/82/62/1068888262.db2.gz GDEJWJOAAAXFFP-HKUYNNGSSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685337644 1068888306 /nfs/dbraw/zinc/88/83/06/1068888306.db2.gz GDEJWJOAAAXFFP-IEBWSBKVSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685337644 1068888294 /nfs/dbraw/zinc/88/82/94/1068888294.db2.gz GDEJWJOAAAXFFP-IEBWSBKVSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685337645 1068887985 /nfs/dbraw/zinc/88/79/85/1068887985.db2.gz GDEJWJOAAAXFFP-MJGOQNOKSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685337645 1068887978 /nfs/dbraw/zinc/88/79/78/1068887978.db2.gz GDEJWJOAAAXFFP-MJGOQNOKSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685337646 1068887935 /nfs/dbraw/zinc/88/79/35/1068887935.db2.gz GDEJWJOAAAXFFP-PKOBYXMFSA-N 2 1 409.575 -0.161 20 0 HBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685337646 1068887928 /nfs/dbraw/zinc/88/79/28/1068887928.db2.gz GDEJWJOAAAXFFP-PKOBYXMFSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340027 1068886331 /nfs/dbraw/zinc/88/63/31/1068886331.db2.gz OHRXYNSDNOYDAH-BBCBXFPWSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340027 1068886323 /nfs/dbraw/zinc/88/63/23/1068886323.db2.gz OHRXYNSDNOYDAH-BBCBXFPWSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685340027 1068886315 /nfs/dbraw/zinc/88/63/15/1068886315.db2.gz OHRXYNSDNOYDAH-BBCBXFPWSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685340027 1068886305 /nfs/dbraw/zinc/88/63/05/1068886305.db2.gz OHRXYNSDNOYDAH-BBCBXFPWSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340028 1068886479 /nfs/dbraw/zinc/88/64/79/1068886479.db2.gz OHRXYNSDNOYDAH-BSLJZLGVSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685340028 1068886476 /nfs/dbraw/zinc/88/64/76/1068886476.db2.gz OHRXYNSDNOYDAH-BSLJZLGVSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685340028 1068886467 /nfs/dbraw/zinc/88/64/67/1068886467.db2.gz OHRXYNSDNOYDAH-BSLJZLGVSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685340028 1068886459 /nfs/dbraw/zinc/88/64/59/1068886459.db2.gz OHRXYNSDNOYDAH-BSLJZLGVSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340029 1068886206 /nfs/dbraw/zinc/88/62/06/1068886206.db2.gz OHRXYNSDNOYDAH-FSGLHJGXSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340029 1068886201 /nfs/dbraw/zinc/88/62/01/1068886201.db2.gz OHRXYNSDNOYDAH-FSGLHJGXSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685340029 1068886194 /nfs/dbraw/zinc/88/61/94/1068886194.db2.gz OHRXYNSDNOYDAH-FSGLHJGXSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685340029 1068886187 /nfs/dbraw/zinc/88/61/87/1068886187.db2.gz OHRXYNSDNOYDAH-FSGLHJGXSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340030 1068886146 /nfs/dbraw/zinc/88/61/46/1068886146.db2.gz OHRXYNSDNOYDAH-QRXAFDDPSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685340030 1068886140 /nfs/dbraw/zinc/88/61/40/1068886140.db2.gz OHRXYNSDNOYDAH-QRXAFDDPSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685340030 1068886134 /nfs/dbraw/zinc/88/61/34/1068886134.db2.gz OHRXYNSDNOYDAH-QRXAFDDPSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685340030 1068886126 /nfs/dbraw/zinc/88/61/26/1068886126.db2.gz OHRXYNSDNOYDAH-QRXAFDDPSA-N 2 1 407.559 -0.409 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341960 1068889181 /nfs/dbraw/zinc/88/91/81/1068889181.db2.gz WYXDDMQEFSZQGC-MSOLQXFVSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341960 1068889159 /nfs/dbraw/zinc/88/91/59/1068889159.db2.gz WYXDDMQEFSZQGC-MSOLQXFVSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341961 1068888815 /nfs/dbraw/zinc/88/88/15/1068888815.db2.gz WYXDDMQEFSZQGC-QZTJIDSGSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341961 1068888802 /nfs/dbraw/zinc/88/88/02/1068888802.db2.gz WYXDDMQEFSZQGC-QZTJIDSGSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341962 1068888694 /nfs/dbraw/zinc/88/86/94/1068888694.db2.gz WYXDDMQEFSZQGC-ROUUACIJSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341962 1068888687 /nfs/dbraw/zinc/88/86/87/1068888687.db2.gz WYXDDMQEFSZQGC-ROUUACIJSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341964 1068889046 /nfs/dbraw/zinc/88/90/46/1068889046.db2.gz WYXDDMQEFSZQGC-ZWKOTPCHSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341964 1068889036 /nfs/dbraw/zinc/88/90/36/1068889036.db2.gz WYXDDMQEFSZQGC-ZWKOTPCHSA-N 2 1 409.575 -0.302 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342483 1068888901 /nfs/dbraw/zinc/88/89/01/1068888901.db2.gz IAPJJRSBTBEQDU-AKHDSKFASA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342483 1068888888 /nfs/dbraw/zinc/88/88/88/1068888888.db2.gz IAPJJRSBTBEQDU-AKHDSKFASA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342489 1068888872 /nfs/dbraw/zinc/88/88/72/1068888872.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342489 1068888860 /nfs/dbraw/zinc/88/88/60/1068888860.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342489 1068888853 /nfs/dbraw/zinc/88/88/53/1068888853.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685342489 1068888848 /nfs/dbraw/zinc/88/88/48/1068888848.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342495 1068888966 /nfs/dbraw/zinc/88/89/66/1068888966.db2.gz IAPJJRSBTBEQDU-YRXWBPOGSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342495 1068888954 /nfs/dbraw/zinc/88/89/54/1068888954.db2.gz IAPJJRSBTBEQDU-YRXWBPOGSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342504 1068890003 /nfs/dbraw/zinc/89/00/03/1068890003.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342504 1068889995 /nfs/dbraw/zinc/88/99/95/1068889995.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342504 1068889984 /nfs/dbraw/zinc/88/99/84/1068889984.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 2 1 409.575 -0.161 20 0 HBADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685342504 1068889977 /nfs/dbraw/zinc/88/99/77/1068889977.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 2 1 409.575 -0.161 20 0 HBADMP C[NH+]1CCN(C(=O)CC2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)CC1 ZINC000731354301 1069783715 /nfs/dbraw/zinc/78/37/15/1069783715.db2.gz MBEYCALVHKBXBL-UHFFFAOYSA-N 2 1 420.558 -0.164 20 0 HBADMP CS(=O)(=O)N[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077674 1069923261 /nfs/dbraw/zinc/92/32/61/1069923261.db2.gz DXYOKESVGVIXEZ-HOTGVXAUSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000735077675 1069923124 /nfs/dbraw/zinc/92/31/24/1069923124.db2.gz DXYOKESVGVIXEZ-HZPDHXFCSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923014 /nfs/dbraw/zinc/92/30/14/1069923014.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923003 /nfs/dbraw/zinc/92/30/03/1069923003.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069922994 /nfs/dbraw/zinc/92/29/94/1069922994.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 2 1 410.606 -0.206 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789094 1070091482 /nfs/dbraw/zinc/09/14/82/1070091482.db2.gz BUBRFBREHWYZJZ-KRWDZBQOSA-N 2 1 419.592 -0.294 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789095 1070091252 /nfs/dbraw/zinc/09/12/52/1070091252.db2.gz BUBRFBREHWYZJZ-QGZVFWFLSA-N 2 1 419.592 -0.294 20 0 HBADMP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000780435745 1071306946 /nfs/dbraw/zinc/30/69/46/1071306946.db2.gz IVFBLJBSUZZGIC-OAHLLOKOSA-N 2 1 404.577 -0.018 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000786138367 1070321774 /nfs/dbraw/zinc/32/17/74/1070321774.db2.gz SOGPFBBHFNGMDM-MSOLQXFVSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000786138368 1070321717 /nfs/dbraw/zinc/32/17/17/1070321717.db2.gz SOGPFBBHFNGMDM-QZTJIDSGSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000786138369 1070322093 /nfs/dbraw/zinc/32/20/93/1070322093.db2.gz SOGPFBBHFNGMDM-ROUUACIJSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000786138370 1070322011 /nfs/dbraw/zinc/32/20/11/1070322011.db2.gz SOGPFBBHFNGMDM-ZWKOTPCHSA-N 2 1 416.526 -0.571 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)C1 ZINC000787104860 1070356024 /nfs/dbraw/zinc/35/60/24/1070356024.db2.gz GIFUGLLYWJNVPE-PMACEKPBSA-N 2 1 421.586 -0.016 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)C1 ZINC000787104863 1070355867 /nfs/dbraw/zinc/35/58/67/1070355867.db2.gz GIFUGLLYWJNVPE-UXHICEINSA-N 2 1 421.586 -0.016 20 0 HBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)C1 ZINC000787104865 1070356167 /nfs/dbraw/zinc/35/61/67/1070356167.db2.gz GIFUGLLYWJNVPE-VQTJNVASSA-N 2 1 421.586 -0.016 20 0 HBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)C1 ZINC000787104867 1070356092 /nfs/dbraw/zinc/35/60/92/1070356092.db2.gz GIFUGLLYWJNVPE-WOJBJXKFSA-N 2 1 421.586 -0.016 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787118058 1070354733 /nfs/dbraw/zinc/35/47/33/1070354733.db2.gz TZWDVPJVWHYXAQ-KRWDZBQOSA-N 2 1 409.531 -0.974 20 0 HBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787118059 1070355454 /nfs/dbraw/zinc/35/54/54/1070355454.db2.gz TZWDVPJVWHYXAQ-QGZVFWFLSA-N 2 1 409.531 -0.974 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000787121200 1070355641 /nfs/dbraw/zinc/35/56/41/1070355641.db2.gz DWUGRUWYTQCZAN-GOSISDBHSA-N 2 1 409.575 -0.112 20 0 HBADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000787121202 1070355322 /nfs/dbraw/zinc/35/53/22/1070355322.db2.gz DWUGRUWYTQCZAN-SFHVURJKSA-N 2 1 409.575 -0.112 20 0 HBADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000787142382 1070357815 /nfs/dbraw/zinc/35/78/15/1070357815.db2.gz ZGWWYGZQORHTIL-HKUYNNGSSA-N 2 1 408.543 -0.073 20 0 HBADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000787142390 1070358041 /nfs/dbraw/zinc/35/80/41/1070358041.db2.gz ZGWWYGZQORHTIL-IEBWSBKVSA-N 2 1 408.543 -0.073 20 0 HBADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000787142395 1070357643 /nfs/dbraw/zinc/35/76/43/1070357643.db2.gz ZGWWYGZQORHTIL-MJGOQNOKSA-N 2 1 408.543 -0.073 20 0 HBADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000787142401 1070357889 /nfs/dbraw/zinc/35/78/89/1070357889.db2.gz ZGWWYGZQORHTIL-PKOBYXMFSA-N 2 1 408.543 -0.073 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000787196226 1070361014 /nfs/dbraw/zinc/36/10/14/1070361014.db2.gz HSDIZEJANGVQFN-MSOLQXFVSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000787196229 1070361276 /nfs/dbraw/zinc/36/12/76/1070361276.db2.gz HSDIZEJANGVQFN-QZTJIDSGSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)ccn2)CC1 ZINC000787196230 1070361330 /nfs/dbraw/zinc/36/13/30/1070361330.db2.gz HSDIZEJANGVQFN-ROUUACIJSA-N 2 1 416.526 -0.571 20 0 HBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccn2)CC1 ZINC000787196231 1070360907 /nfs/dbraw/zinc/36/09/07/1070360907.db2.gz HSDIZEJANGVQFN-ZWKOTPCHSA-N 2 1 416.526 -0.571 20 0 HBADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000787607260 1070374475 /nfs/dbraw/zinc/37/44/75/1070374475.db2.gz BHKOQXWXJQUUPX-UHFFFAOYSA-N 2 1 403.527 -0.013 20 0 HBADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000787610771 1070376177 /nfs/dbraw/zinc/37/61/77/1070376177.db2.gz ROSMWRRYURSDMJ-UHFFFAOYSA-N 2 1 417.554 -0.100 20 0 HBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000788049471 1070396139 /nfs/dbraw/zinc/39/61/39/1070396139.db2.gz HOJHPYMEEVDWEO-UHFFFAOYSA-N 2 1 417.554 -0.054 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000788089446 1070398841 /nfs/dbraw/zinc/39/88/41/1070398841.db2.gz DDYXQZWWMMDIQM-DLBZAZTESA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000788089446 1070398827 /nfs/dbraw/zinc/39/88/27/1070398827.db2.gz DDYXQZWWMMDIQM-DLBZAZTESA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089451 1070398929 /nfs/dbraw/zinc/39/89/29/1070398929.db2.gz DDYXQZWWMMDIQM-IAGOWNOFSA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089451 1070398910 /nfs/dbraw/zinc/39/89/10/1070398910.db2.gz DDYXQZWWMMDIQM-IAGOWNOFSA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000788089453 1070399264 /nfs/dbraw/zinc/39/92/64/1070399264.db2.gz DDYXQZWWMMDIQM-IRXDYDNUSA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000788089453 1070399250 /nfs/dbraw/zinc/39/92/50/1070399250.db2.gz DDYXQZWWMMDIQM-IRXDYDNUSA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089939 1070399128 /nfs/dbraw/zinc/39/91/28/1070399128.db2.gz DDYXQZWWMMDIQM-SJORKVTESA-N 2 1 409.531 -0.927 20 0 HBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089939 1070399111 /nfs/dbraw/zinc/39/91/11/1070399111.db2.gz DDYXQZWWMMDIQM-SJORKVTESA-N 2 1 409.531 -0.927 20 0 HBADMP Cc1nc(N2CC[NH+](CCO)C(C)(C)C2)nc(N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000788549136 1070417125 /nfs/dbraw/zinc/41/71/25/1070417125.db2.gz RPPROHFWXUZJQS-UHFFFAOYSA-N 2 1 407.563 -0.034 20 0 HBADMP O=C1NC(=O)[C@]2(CCC[N@H+](CCCCCC[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378687 1070436460 /nfs/dbraw/zinc/43/64/60/1070436460.db2.gz VHQKODFBUOVCSK-BGYRXZFFSA-N 2 1 420.514 -0.105 20 0 HBADMP O=C1NC(=O)[C@]2(CCC[N@@H+](CCCCCC[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378687 1070436455 /nfs/dbraw/zinc/43/64/55/1070436455.db2.gz VHQKODFBUOVCSK-BGYRXZFFSA-N 2 1 420.514 -0.105 20 0 HBADMP O=C1NC(=O)[C@]2(CCC[NH+](CCCCCC[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378687 1070436451 /nfs/dbraw/zinc/43/64/51/1070436451.db2.gz VHQKODFBUOVCSK-BGYRXZFFSA-N 2 1 420.514 -0.105 20 0 HBADMP O=C1NC(=O)[C@@]2(CCC[NH+](CCCCCC[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378691 1070436567 /nfs/dbraw/zinc/43/65/67/1070436567.db2.gz VHQKODFBUOVCSK-PMACEKPBSA-N 2 1 420.514 -0.105 20 0 HBADMP O=C1NC(=O)[C@]2(CCC[NH+](CCCCCC[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378695 1070436595 /nfs/dbraw/zinc/43/65/95/1070436595.db2.gz VHQKODFBUOVCSK-WOJBJXKFSA-N 2 1 420.514 -0.105 20 0 HBADMP C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793701883 1070531297 /nfs/dbraw/zinc/53/12/97/1070531297.db2.gz PTQVDLMQHTZRHG-KRWDZBQOSA-N 2 1 407.559 -0.010 20 0 HBADMP C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793701885 1070531530 /nfs/dbraw/zinc/53/15/30/1070531530.db2.gz PTQVDLMQHTZRHG-QGZVFWFLSA-N 2 1 407.559 -0.010 20 0 HBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142536302 1069385657 /nfs/dbraw/zinc/38/56/57/1069385657.db2.gz LGVLRLXKWVFEKA-CUINURIISA-N 2 1 423.576 -0.283 20 0 HBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142536309 1069385499 /nfs/dbraw/zinc/38/54/99/1069385499.db2.gz LGVLRLXKWVFEKA-JBJRXJHCSA-N 2 1 423.576 -0.283 20 0 HBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142536312 1069385762 /nfs/dbraw/zinc/38/57/62/1069385762.db2.gz LGVLRLXKWVFEKA-WAXYHTEFSA-N 2 1 423.576 -0.283 20 0 HBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCS(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142536316 1069385721 /nfs/dbraw/zinc/38/57/21/1069385721.db2.gz LGVLRLXKWVFEKA-WLRQEKSISA-N 2 1 423.576 -0.283 20 0 HBADMP CN(C(=O)COC1CC[NH+](C)CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001144084744 1071039136 /nfs/dbraw/zinc/03/91/36/1071039136.db2.gz LKVHSUQRNWKKHP-UHFFFAOYSA-N 2 1 409.575 -0.206 20 0 HBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977614 1071102742 /nfs/dbraw/zinc/10/27/42/1071102742.db2.gz ODKUAOGIUBCDGS-ARFHVFGLSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977614 1071102737 /nfs/dbraw/zinc/10/27/37/1071102737.db2.gz ODKUAOGIUBCDGS-ARFHVFGLSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977619 1071102663 /nfs/dbraw/zinc/10/26/63/1071102663.db2.gz ODKUAOGIUBCDGS-HRCADAONSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977619 1071102656 /nfs/dbraw/zinc/10/26/56/1071102656.db2.gz ODKUAOGIUBCDGS-HRCADAONSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977621 1071102694 /nfs/dbraw/zinc/10/26/94/1071102694.db2.gz ODKUAOGIUBCDGS-JYJNAYRXSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977621 1071102690 /nfs/dbraw/zinc/10/26/90/1071102690.db2.gz ODKUAOGIUBCDGS-JYJNAYRXSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977623 1071102610 /nfs/dbraw/zinc/10/26/10/1071102610.db2.gz ODKUAOGIUBCDGS-XHSDSOJGSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977623 1071102605 /nfs/dbraw/zinc/10/26/05/1071102605.db2.gz ODKUAOGIUBCDGS-XHSDSOJGSA-N 2 1 402.561 -0.590 20 0 HBADMP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001148798962 1071143707 /nfs/dbraw/zinc/14/37/07/1071143707.db2.gz BJIRQIKLXVNWFC-MRXNPFEDSA-N 2 1 420.562 -0.168 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719270 720225841 /nfs/dbraw/zinc/22/58/41/720225841.db2.gz PYSWWMVWZRJRIG-FQEVSTJZSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719270 720225834 /nfs/dbraw/zinc/22/58/34/720225834.db2.gz PYSWWMVWZRJRIG-FQEVSTJZSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719271 720225010 /nfs/dbraw/zinc/22/50/10/720225010.db2.gz PYSWWMVWZRJRIG-HXUWFJFHSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164719271 720225003 /nfs/dbraw/zinc/22/50/03/720225003.db2.gz PYSWWMVWZRJRIG-HXUWFJFHSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719834 720255267 /nfs/dbraw/zinc/25/52/67/720255267.db2.gz PMQANQIAYBJHIV-FQEVSTJZSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719834 720255258 /nfs/dbraw/zinc/25/52/58/720255258.db2.gz PMQANQIAYBJHIV-FQEVSTJZSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719835 720256119 /nfs/dbraw/zinc/25/61/19/720256119.db2.gz PMQANQIAYBJHIV-HXUWFJFHSA-N 2 1 403.531 -0.449 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164719835 720256103 /nfs/dbraw/zinc/25/61/03/720256103.db2.gz PMQANQIAYBJHIV-HXUWFJFHSA-N 2 1 403.531 -0.449 20 0 HBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1 ZINC001164872124 721275457 /nfs/dbraw/zinc/27/54/57/721275457.db2.gz ALJKJWYWZJRRJF-UHFFFAOYSA-N 2 1 417.558 -0.107 20 0 HBADMP [NH3+][C@H]1[C@H](n2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001167970396 1070382448 /nfs/dbraw/zinc/38/24/48/1070382448.db2.gz JGTYRVMWRMQWFC-LOZIBAHKSA-N 2 1 405.499 -0.527 20 0 HBADMP [NH3+][C@H]1[C@H](n2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001167970396 1070382434 /nfs/dbraw/zinc/38/24/34/1070382434.db2.gz JGTYRVMWRMQWFC-LOZIBAHKSA-N 2 1 405.499 -0.527 20 0 HBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC[NH+](CCO)CCO ZINC001169163696 1070128147 /nfs/dbraw/zinc/12/81/47/1070128147.db2.gz RZCPUZDFEWFFEX-INIZCTEOSA-N 2 1 424.546 -0.741 20 0 HBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC[NH+](CCO)CCO ZINC001169163697 1070128228 /nfs/dbraw/zinc/12/82/28/1070128228.db2.gz RZCPUZDFEWFFEX-MRXNPFEDSA-N 2 1 424.546 -0.741 20 0 HBADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169173031 1070130538 /nfs/dbraw/zinc/13/05/38/1070130538.db2.gz XVRYXZQQEWOCPX-UONOGXRCSA-N 2 1 408.503 -0.137 20 0 HBADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169173032 1070130564 /nfs/dbraw/zinc/13/05/64/1070130564.db2.gz XVRYXZQQEWOCPX-ZIAGYGMSSA-N 2 1 408.503 -0.137 20 0 HBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169178743 1070131336 /nfs/dbraw/zinc/13/13/36/1070131336.db2.gz ZPDYVWVNMTXGCD-UONOGXRCSA-N 2 1 403.487 -0.076 20 0 HBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169178749 1070131343 /nfs/dbraw/zinc/13/13/43/1070131343.db2.gz ZPDYVWVNMTXGCD-ZIAGYGMSSA-N 2 1 403.487 -0.076 20 0 HBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001169212179 1070132870 /nfs/dbraw/zinc/13/28/70/1070132870.db2.gz KUUQJXHEBQFIHL-INIZCTEOSA-N 2 1 417.558 -0.076 20 0 HBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001169212186 1070132627 /nfs/dbraw/zinc/13/26/27/1070132627.db2.gz KUUQJXHEBQFIHL-MRXNPFEDSA-N 2 1 417.558 -0.076 20 0 HBADMP Cc1cn(CC(=O)NCCNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c(=O)[nH]c1=O ZINC001171081981 1071028161 /nfs/dbraw/zinc/02/81/61/1071028161.db2.gz LEISMPAWBQLGDB-UHFFFAOYSA-N 2 1 402.459 -0.797 20 0 HBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C[NH+]4CCCCC4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262023 1071071434 /nfs/dbraw/zinc/07/14/34/1071071434.db2.gz FKPRWHIUXBNACM-UTRMSSBJSA-N 2 1 416.482 -0.220 20 0 HBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(N4CCCCC4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262409 1071072979 /nfs/dbraw/zinc/07/29/79/1071072979.db2.gz MESMHORHFCSKTQ-BNEJOLLZSA-N 2 1 402.455 -0.216 20 0 HBADMP C[N@H+]1CCCC[C@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262679 1071073603 /nfs/dbraw/zinc/07/36/03/1071073603.db2.gz HYEXZQLEXXZVPZ-RMIBSVFLSA-N 2 1 416.482 -0.049 20 0 HBADMP C[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262679 1071073586 /nfs/dbraw/zinc/07/35/86/1071073586.db2.gz HYEXZQLEXXZVPZ-RMIBSVFLSA-N 2 1 416.482 -0.049 20 0 HBADMP C[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262680 1071073461 /nfs/dbraw/zinc/07/34/61/1071073461.db2.gz HYEXZQLEXXZVPZ-ZUJMEHAASA-N 2 1 416.482 -0.049 20 0 HBADMP C[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262680 1071073444 /nfs/dbraw/zinc/07/34/44/1071073444.db2.gz HYEXZQLEXXZVPZ-ZUJMEHAASA-N 2 1 416.482 -0.049 20 0 HBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc[nH+]c(N4CCCCC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264345 1071078440 /nfs/dbraw/zinc/07/84/40/1071078440.db2.gz AUQWRSQEXFOWGY-BNEJOLLZSA-N 2 1 402.455 -0.216 20 0 HBADMP COc1ccc2[nH+]c(C)cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2c1 ZINC001171264431 1071077388 /nfs/dbraw/zinc/07/73/88/1071077388.db2.gz GCLIQDBFGJLOJY-NXWXRZEISA-N 2 1 413.434 -0.148 20 0 HBADMP C[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)CC1 ZINC001171264473 1071077287 /nfs/dbraw/zinc/07/72/87/1071077287.db2.gz IAXGIOQMQHCBHX-NXWXRZEISA-N 2 1 416.482 -0.683 20 0 HBADMP C[NH+](C)Cc1c[nH]c2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c12 ZINC001171264599 1071078141 /nfs/dbraw/zinc/07/81/41/1071078141.db2.gz NWIBDNCJUJBBDK-HALQFCHDSA-N 2 1 415.454 -0.663 20 0 HBADMP CC[NH+](CC)Cc1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264735 1071079159 /nfs/dbraw/zinc/07/91/59/1071079159.db2.gz UOGJYYHMYRPTTK-VDHUWJSZSA-N 2 1 404.471 -0.364 20 0 HBADMP C[NH+](C)CCCOc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171266081 1071079992 /nfs/dbraw/zinc/07/99/92/1071079992.db2.gz BRUSXQGPGBJRGX-BNEJOLLZSA-N 2 1 420.470 -0.876 20 0 HBADMP C[N@H+]1CC[C@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)C1 ZINC001171266380 1071079567 /nfs/dbraw/zinc/07/95/67/1071079567.db2.gz HMMWFIMWMDWJLQ-RSACRBQFSA-N 2 1 401.467 -0.016 20 0 HBADMP C[N@@H+]1CC[C@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)C1 ZINC001171266380 1071079553 /nfs/dbraw/zinc/07/95/53/1071079553.db2.gz HMMWFIMWMDWJLQ-RSACRBQFSA-N 2 1 401.467 -0.016 20 0 HBADMP C[N@H+]1CC[C@@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)C1 ZINC001171266381 1071079865 /nfs/dbraw/zinc/07/98/65/1071079865.db2.gz HMMWFIMWMDWJLQ-UGNAIYESSA-N 2 1 401.467 -0.016 20 0 HBADMP C[N@@H+]1CC[C@@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)C1 ZINC001171266381 1071079850 /nfs/dbraw/zinc/07/98/50/1071079850.db2.gz HMMWFIMWMDWJLQ-UGNAIYESSA-N 2 1 401.467 -0.016 20 0 HBADMP Nc1[nH+]ccn1Cc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171266772 1071079488 /nfs/dbraw/zinc/07/94/88/1071079488.db2.gz LMEFMJIHAAGFDV-MWQQHZPXSA-N 2 1 413.438 -0.774 20 0 HBADMP C[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@H+]1Cc1ccccc1 ZINC001171735550 1071167941 /nfs/dbraw/zinc/16/79/41/1071167941.db2.gz XPUPAYRWYJSPMD-GQEZKYSCSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735550 1071167934 /nfs/dbraw/zinc/16/79/34/1071167934.db2.gz XPUPAYRWYJSPMD-GQEZKYSCSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@H+]1Cc1ccccc1 ZINC001171735551 1071167719 /nfs/dbraw/zinc/16/77/19/1071167719.db2.gz XPUPAYRWYJSPMD-PPOGKFSKSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735551 1071167706 /nfs/dbraw/zinc/16/77/06/1071167706.db2.gz XPUPAYRWYJSPMD-PPOGKFSKSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@H+]1Cc1ccccc1 ZINC001171735552 1071168762 /nfs/dbraw/zinc/16/87/62/1071168762.db2.gz XPUPAYRWYJSPMD-SMYFUOBYSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735552 1071168757 /nfs/dbraw/zinc/16/87/57/1071168757.db2.gz XPUPAYRWYJSPMD-SMYFUOBYSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@H+]1Cc1ccccc1 ZINC001171735553 1071168653 /nfs/dbraw/zinc/16/86/53/1071168653.db2.gz XPUPAYRWYJSPMD-WLEBWSEFSA-N 2 1 415.494 -0.270 20 0 HBADMP C[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC001171735553 1071168647 /nfs/dbraw/zinc/16/86/47/1071168647.db2.gz XPUPAYRWYJSPMD-WLEBWSEFSA-N 2 1 415.494 -0.270 20 0 HBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943477 1071171862 /nfs/dbraw/zinc/17/18/62/1071171862.db2.gz SQBAMWWJLIQYDE-HDICACEKSA-N 2 1 401.511 -0.452 20 0 HBADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943477 1071171851 /nfs/dbraw/zinc/17/18/51/1071171851.db2.gz SQBAMWWJLIQYDE-HDICACEKSA-N 2 1 401.511 -0.452 20 0 HBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943477 1071171845 /nfs/dbraw/zinc/17/18/45/1071171845.db2.gz SQBAMWWJLIQYDE-HDICACEKSA-N 2 1 401.511 -0.452 20 0 HBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943478 1071171946 /nfs/dbraw/zinc/17/19/46/1071171946.db2.gz SQBAMWWJLIQYDE-QZTJIDSGSA-N 2 1 401.511 -0.452 20 0 HBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001171943479 1071171733 /nfs/dbraw/zinc/17/17/33/1071171733.db2.gz SQBAMWWJLIQYDE-ROUUACIJSA-N 2 1 401.511 -0.452 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107622 1071174414 /nfs/dbraw/zinc/17/44/14/1071174414.db2.gz AIHNSXLFQMUDQZ-MZHQWRCYSA-N 2 1 403.487 -0.030 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107628 1071174390 /nfs/dbraw/zinc/17/43/90/1071174390.db2.gz AIHNSXLFQMUDQZ-PMKSJIGOSA-N 2 1 403.487 -0.030 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108587 1071174624 /nfs/dbraw/zinc/17/46/24/1071174624.db2.gz XWDXHLOMBDQAKD-ASVXTDKMSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108587 1071174615 /nfs/dbraw/zinc/17/46/15/1071174615.db2.gz XWDXHLOMBDQAKD-ASVXTDKMSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108588 1071174472 /nfs/dbraw/zinc/17/44/72/1071174472.db2.gz XWDXHLOMBDQAKD-BGEFAGLPSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108588 1071174459 /nfs/dbraw/zinc/17/44/59/1071174459.db2.gz XWDXHLOMBDQAKD-BGEFAGLPSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110336 1071174673 /nfs/dbraw/zinc/17/46/73/1071174673.db2.gz LJTNCLLDRBNVSG-ASVXTDKMSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110338 1071175289 /nfs/dbraw/zinc/17/52/89/1071175289.db2.gz LJTNCLLDRBNVSG-BGEFAGLPSA-N 2 1 403.487 -0.367 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113263 1071175272 /nfs/dbraw/zinc/17/52/72/1071175272.db2.gz HZRSBNVREPTEBD-KWWJQKEASA-N 2 1 404.511 -0.129 20 0 HBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113263 1071175267 /nfs/dbraw/zinc/17/52/67/1071175267.db2.gz HZRSBNVREPTEBD-KWWJQKEASA-N 2 1 404.511 -0.129 20 0 HBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113270 1071175209 /nfs/dbraw/zinc/17/52/09/1071175209.db2.gz HZRSBNVREPTEBD-MGGVOPSTSA-N 2 1 404.511 -0.129 20 0 HBADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113270 1071175202 /nfs/dbraw/zinc/17/52/02/1071175202.db2.gz HZRSBNVREPTEBD-MGGVOPSTSA-N 2 1 404.511 -0.129 20 0 HBADMP CC[N@H+]1CC[C@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173355907 1071184893 /nfs/dbraw/zinc/18/48/93/1071184893.db2.gz ZPYSTLVOYDUPQY-KBPBESRZSA-N 2 1 421.502 -0.058 20 0 HBADMP CC[N@H+]1CC[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173355908 1071185155 /nfs/dbraw/zinc/18/51/55/1071185155.db2.gz ZPYSTLVOYDUPQY-KGLIPLIRSA-N 2 1 421.502 -0.058 20 0 HBADMP CCN1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357675 1071184769 /nfs/dbraw/zinc/18/47/69/1071184769.db2.gz QYVCGGSLWZORIK-BZSNNMDCSA-N 2 1 417.558 -0.485 20 0 HBADMP CC[N@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357675 1071184757 /nfs/dbraw/zinc/18/47/57/1071184757.db2.gz QYVCGGSLWZORIK-BZSNNMDCSA-N 3 1 417.558 -0.485 20 0 HBADMP CCN1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357676 1071184942 /nfs/dbraw/zinc/18/49/42/1071184942.db2.gz QYVCGGSLWZORIK-SQNIBIBYSA-N 2 1 417.558 -0.485 20 0 HBADMP CC[N@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357676 1071184934 /nfs/dbraw/zinc/18/49/34/1071184934.db2.gz QYVCGGSLWZORIK-SQNIBIBYSA-N 3 1 417.558 -0.485 20 0 HBADMP CC[N@H+]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001173357991 1071185135 /nfs/dbraw/zinc/18/51/35/1071185135.db2.gz URNVBJXYGATWOK-NEWSRXKRSA-N 2 1 414.510 -0.062 20 0 HBADMP CC[N@H+]1CC[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001173357995 1071185059 /nfs/dbraw/zinc/18/50/59/1071185059.db2.gz URNVBJXYGATWOK-WDSOQIARSA-N 2 1 414.510 -0.062 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001178337999 1071283790 /nfs/dbraw/zinc/28/37/90/1071283790.db2.gz QVYJMTHIDMJKBG-LUYSREMJSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001178337999 1071283775 /nfs/dbraw/zinc/28/37/75/1071283775.db2.gz QVYJMTHIDMJKBG-LUYSREMJSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@H]21 ZINC001178338000 1071283654 /nfs/dbraw/zinc/28/36/54/1071283654.db2.gz QVYJMTHIDMJKBG-QGLKVJOYSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@H]21 ZINC001178338000 1071283645 /nfs/dbraw/zinc/28/36/45/1071283645.db2.gz QVYJMTHIDMJKBG-QGLKVJOYSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001178338001 1071283866 /nfs/dbraw/zinc/28/38/66/1071283866.db2.gz QVYJMTHIDMJKBG-QSUVIHHLSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001178338001 1071283858 /nfs/dbraw/zinc/28/38/58/1071283858.db2.gz QVYJMTHIDMJKBG-QSUVIHHLSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001178338002 1071284634 /nfs/dbraw/zinc/28/46/34/1071284634.db2.gz QVYJMTHIDMJKBG-SRHPJPHMSA-N 2 1 407.522 -0.184 20 0 HBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001178338002 1071284630 /nfs/dbraw/zinc/28/46/30/1071284630.db2.gz QVYJMTHIDMJKBG-SRHPJPHMSA-N 2 1 407.522 -0.184 20 0 HBADMP Cn1nnc2c1CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001178949706 1071304700 /nfs/dbraw/zinc/30/47/00/1071304700.db2.gz UFQZZECKCPVORA-GOSISDBHSA-N 2 1 405.547 -0.399 20 0 HBADMP Cn1nnc2c1CCN(C(=O)CN1CC[NH+](C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001178949710 1071304619 /nfs/dbraw/zinc/30/46/19/1071304619.db2.gz UFQZZECKCPVORA-SFHVURJKSA-N 2 1 405.547 -0.399 20 0 HBADMP C[N@H+]1C[C@@H](C(=O)NCC[NH2+]CCO)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156299 1071310966 /nfs/dbraw/zinc/31/09/66/1071310966.db2.gz HUKJQPQCJBCJJP-HNNXBMFYSA-N 2 1 400.520 -0.215 20 0 HBADMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CCO)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156300 1071311045 /nfs/dbraw/zinc/31/10/45/1071311045.db2.gz HUKJQPQCJBCJJP-OAHLLOKOSA-N 2 1 400.520 -0.215 20 0 HBADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001180409762 1071342482 /nfs/dbraw/zinc/34/24/82/1071342482.db2.gz LPSIUHUBWDVTOQ-JKSUJKDBSA-N 2 1 408.459 -0.428 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609111 1071351940 /nfs/dbraw/zinc/35/19/40/1071351940.db2.gz NVLGYHAQNKCYTE-NRFANRHFSA-N 2 1 423.558 -0.739 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609111 1071351923 /nfs/dbraw/zinc/35/19/23/1071351923.db2.gz NVLGYHAQNKCYTE-NRFANRHFSA-N 2 1 423.558 -0.739 20 0 HBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609112 1071352114 /nfs/dbraw/zinc/35/21/14/1071352114.db2.gz NVLGYHAQNKCYTE-OAQYLSRUSA-N 2 1 423.558 -0.739 20 0 HBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)C1 ZINC001180609112 1071352103 /nfs/dbraw/zinc/35/21/03/1071352103.db2.gz NVLGYHAQNKCYTE-OAQYLSRUSA-N 2 1 423.558 -0.739 20 0 HBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182815964 1071431501 /nfs/dbraw/zinc/43/15/01/1071431501.db2.gz RAALLNZMAREXTL-KDUQRTNCSA-N 2 1 421.560 -0.673 20 0 HBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182815971 1071431566 /nfs/dbraw/zinc/43/15/66/1071431566.db2.gz RAALLNZMAREXTL-XMSFWSCYSA-N 2 1 421.560 -0.673 20 0 HBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182815972 1071431527 /nfs/dbraw/zinc/43/15/27/1071431527.db2.gz RAALLNZMAREXTL-YIIZKNBGSA-N 2 1 421.560 -0.673 20 0 HBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CS(=O)(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182815973 1071431457 /nfs/dbraw/zinc/43/14/57/1071431457.db2.gz RAALLNZMAREXTL-YLVYSCNESA-N 2 1 421.560 -0.673 20 0 HBADMP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251026 1071509426 /nfs/dbraw/zinc/50/94/26/1071509426.db2.gz LIAWLWABSRBCNX-MSOLQXFVSA-N 2 1 405.547 -0.401 20 0 HBADMP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251034 1071509731 /nfs/dbraw/zinc/50/97/31/1071509731.db2.gz LIAWLWABSRBCNX-QZTJIDSGSA-N 2 1 405.547 -0.401 20 0 HBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251036 1071509652 /nfs/dbraw/zinc/50/96/52/1071509652.db2.gz LIAWLWABSRBCNX-ROUUACIJSA-N 2 1 405.547 -0.401 20 0 HBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251037 1071509923 /nfs/dbraw/zinc/50/99/23/1071509923.db2.gz LIAWLWABSRBCNX-ZWKOTPCHSA-N 2 1 405.547 -0.401 20 0 HBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001186106488 1071543964 /nfs/dbraw/zinc/54/39/64/1071543964.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 2 1 423.558 -0.822 20 0 HBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001186106936 1071544066 /nfs/dbraw/zinc/54/40/66/1071544066.db2.gz QQXCEVDRELBIBB-ZDUSSCGKSA-N 2 1 407.471 -0.654 20 0 HBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001186106936 1071544062 /nfs/dbraw/zinc/54/40/62/1071544062.db2.gz QQXCEVDRELBIBB-ZDUSSCGKSA-N 2 1 407.471 -0.654 20 0 HBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001186116115 1071544156 /nfs/dbraw/zinc/54/41/56/1071544156.db2.gz AESSLBKGZQQGPY-AWEZNQCLSA-N 2 1 410.496 -0.573 20 0 HBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001186116115 1071544147 /nfs/dbraw/zinc/54/41/47/1071544147.db2.gz AESSLBKGZQQGPY-AWEZNQCLSA-N 2 1 410.496 -0.573 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359007 1071547685 /nfs/dbraw/zinc/54/76/85/1071547685.db2.gz UYAYGDUUEXLXDP-DLBZAZTESA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359007 1071547674 /nfs/dbraw/zinc/54/76/74/1071547674.db2.gz UYAYGDUUEXLXDP-DLBZAZTESA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359062 1071547893 /nfs/dbraw/zinc/54/78/93/1071547893.db2.gz UYAYGDUUEXLXDP-IAGOWNOFSA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359062 1071547887 /nfs/dbraw/zinc/54/78/87/1071547887.db2.gz UYAYGDUUEXLXDP-IAGOWNOFSA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359065 1071547867 /nfs/dbraw/zinc/54/78/67/1071547867.db2.gz UYAYGDUUEXLXDP-IRXDYDNUSA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001186359065 1071547864 /nfs/dbraw/zinc/54/78/64/1071547864.db2.gz UYAYGDUUEXLXDP-IRXDYDNUSA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359067 1071547794 /nfs/dbraw/zinc/54/77/94/1071547794.db2.gz UYAYGDUUEXLXDP-SJORKVTESA-N 2 1 424.633 -0.054 20 0 HBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001186359067 1071547789 /nfs/dbraw/zinc/54/77/89/1071547789.db2.gz UYAYGDUUEXLXDP-SJORKVTESA-N 2 1 424.633 -0.054 20 0 HBADMP COc1ccc(CN2CCCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704203 /nfs/dbraw/zinc/70/42/03/1071704203.db2.gz JEMODABXIORVOS-HDICACEKSA-N 2 1 400.479 -0.066 20 0 HBADMP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCC(=O)N1CC[NH+](C)CC1 ZINC001195054127 1071713247 /nfs/dbraw/zinc/71/32/47/1071713247.db2.gz AUPVSMMFNVZOAC-UHFFFAOYSA-N 2 1 402.492 -0.052 20 0 HBADMP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCC(=O)N1CC[NH+](C)CC1 ZINC001195054127 1071713243 /nfs/dbraw/zinc/71/32/43/1071713243.db2.gz AUPVSMMFNVZOAC-UHFFFAOYSA-N 2 1 402.492 -0.052 20 0 HBADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001196093040 1071733306 /nfs/dbraw/zinc/73/33/06/1071733306.db2.gz LIOAJLRRYUFCPO-CALCHBBNSA-N 2 1 402.499 -0.714 20 0 HBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001196294468 1071737488 /nfs/dbraw/zinc/73/74/88/1071737488.db2.gz YAROFNQNQQOGSR-GOSISDBHSA-N 2 1 424.567 -0.086 20 0 HBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001196294468 1071737474 /nfs/dbraw/zinc/73/74/74/1071737474.db2.gz YAROFNQNQQOGSR-GOSISDBHSA-N 2 1 424.567 -0.086 20 0 HBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001196294469 1071737628 /nfs/dbraw/zinc/73/76/28/1071737628.db2.gz YAROFNQNQQOGSR-SFHVURJKSA-N 2 1 424.567 -0.086 20 0 HBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001196294469 1071737623 /nfs/dbraw/zinc/73/76/23/1071737623.db2.gz YAROFNQNQQOGSR-SFHVURJKSA-N 2 1 424.567 -0.086 20 0 HBADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=S)NCCC[NH+]1CCOCC1)CC2 ZINC001199943686 1071783301 /nfs/dbraw/zinc/78/33/01/1071783301.db2.gz MOEATIIDEYHFBJ-UHFFFAOYSA-N 2 1 424.571 -0.079 20 0 HBADMP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)C(N)=O ZINC001211998182 1069301676 /nfs/dbraw/zinc/30/16/76/1069301676.db2.gz GUULNHVAABWXRM-XJKSGUPXSA-N 2 1 416.482 -0.181 20 0 HBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001212022908 1069304051 /nfs/dbraw/zinc/30/40/51/1069304051.db2.gz INYPKQCAJFALRZ-WFASDCNBSA-N 2 1 402.455 -0.051 20 0 HBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001212022937 1069304107 /nfs/dbraw/zinc/30/41/07/1069304107.db2.gz JVPSEEHNGOLNOL-BBRMVZONSA-N 2 1 415.498 -0.136 20 0 HBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001212460082 1069242588 /nfs/dbraw/zinc/24/25/88/1069242588.db2.gz MSQRGFVPIWCHHT-UHFFFAOYSA-N 2 1 402.565 -0.298 20 0 HBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001626081732 1069372400 /nfs/dbraw/zinc/37/24/00/1069372400.db2.gz OFZSKGYXOHDVHP-UHFFFAOYSA-N 2 1 416.588 -0.039 20 0 HBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001687432749 1071033368 /nfs/dbraw/zinc/03/33/68/1071033368.db2.gz ZGCXYWPTQYGSDO-HNNXBMFYSA-N 2 1 404.519 -0.015 20 0 HBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001687432750 1071033378 /nfs/dbraw/zinc/03/33/78/1071033378.db2.gz ZGCXYWPTQYGSDO-OAHLLOKOSA-N 2 1 404.519 -0.015 20 0 HBADMP