Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13953=989 in crystal structure 1NL9

1. BindingDB_15811.docklog
2. BindingDB_13954.docklog.mol2
3. BindingDB_13968.docklog
4. 1NL9-voxthresh-1.pdb
5. BindingDB_15812.frags.mol2
6. 1NL9-results_BindingDB_13971.mol2
7. BindingDB_15814.docklog
8. prot-log.txt
9. BindingDB_13954.frags.mol2
10. 1NL9-voxthresh-4.pdb
11. BindingDB_13972.docklog.mol2
12. 1NL9-results_BindingDB_13966.mol2
13. 1NL9-results_BindingDB_13967.mol2
14. BindingDB_13971.docklog
15. 1NL9-marked-protein.pdb
16. 1NL9-results_BindingDB_15811.mol2
17. BindingDB_13967.docklog.mol2
18. 1NL9-results.mol2
19. BindingDB_15810.frags.mol2
20. BindingDB_15809.docklog
21. BindingDB_15810.docklog.mol2
22. BindingDB_13954.mol2
23. BindingDB_15811.docklog.mol2
24. 1NL9_water.mol2
25. BindingDB_15812.docklog
26. 1NL9-voxthresh-2.pdb
27. BindingDB_13968.docklog.results_tab.log
28. BindingDB_15814.frags.mol2
29. BindingDB_15812.mol2
30. 1NL9_sdf-log.txt
31. BindingDB_13968.frags.mol2
32. BindingDB_15810.docklog.results_tab.log
33. BindingDB_13967.frags.mol2
34. BindingDB_15817.docklog.mol2
35. BindingDB_13954.docklog
36. 1NL9-protomol.mol2
37. BindingDB_13966.mol2
38. 1NL9_sdf.mol2
39. 1NL9-voxthresh-6.pdb
40. 1NL9-voxthresh-10.pdb
41. BindingDB_15809.frags.mol2
42. BindingDB_50149232.mol2
43. 1NL9-results_tab.log
44. log-results.mol2
45. BindingDB_13973.mol2
46. 1NL9_ligand0.mol2
47. BindingDB_15810.mol2
48. BindingDB_13966.frags.mol2
49. BindingDB_15809.docklog.mol2
50. BindingDB_13973.docklog
51. 1NL9.mol2
52. BindingDB_15814.docklog.results_tab.log
53. BindingDB_13971.docklog.mol2
54. 1NL9_congener-log.txt
55. 1NL9-voxthresh-5.pdb
56. 1NL9-voxthresh-8.pdb
57. BindingDB_50149232.docklog.mol2
58. 1NL9-voxthresh-3.pdb
59. BindingDB_15814.docklog.mol2
60. BindingDB_13973.docklog.mol2
61. 1NL9.csv
62. BindingDB_13968.mol2
63. log-results_tab.log
64. BindingDB_15812.docklog.mol2
65. BindingDB_15809.mol2
66. BindingDB_13966.docklog.results_tab.log
67. 1NL9-results_BindingDB_13954.mol2
68. BindingDB_13967.mol2
69. protein_sampling.mol2
70. 1NL9-results_BindingDB_15809.mol2
71. BindingDB_15817.docklog
72. BindingDB_13971.frags.mol2
73. BindingDB_15811.docklog.results_tab.log
74. 1NL9-voxthresh-0.pdb
75. BindingDB_13973.docklog.results_tab.log
76. BindingDB_15817.docklog.results_tab.log
77. BindingDB_15817.frags.mol2
78. 1NL9-results_BindingDB_15817.mol2
79. BindingDB_15810.docklog
80. log
81. 989.sdf
82. 1NL9-voxthresh-7.pdb
83. BindingDB_50149232.frags.mol2
84. 1NL9-marked-vox.pdb
85. BindingDB_15811.mol2
86. BindingDB_50149232.docklog.results_tab.log
87. BindingDB_13953.docklog
88. BindingDB_13953.frags.mol2
89. BindingDB_15811.frags.mol2
90. BindingDB_13967.docklog
91. 1NL9-results_BindingDB_13973.mol2
92. BindingDB_15812.docklog.results_tab.log
93. 1NL9-voxthresh-9.pdb
94. BindingDB_15809.docklog.results_tab.log
95. BindingDB_13972.mol2
96. scale
97. BindingDB_13954.docklog.results_tab.log
98. BindingDB_13953.mol2
99. BindingDB_13967.docklog.results_tab.log
100. frag2.mol2
101. prot.mol2
102. 1NL9-results_BindingDB_15810.mol2
103. bdb_1NL9_989_sim.txt
104. BindingDB_50149232.docklog
105. BindingDB_15817.mol2
106. BindingDB_13966.docklog.mol2
107. 1NL9-results_BindingDB_13968.mol2
108. 1NL9-results_BindingDB_13953.mol2
109. 1NL9.pdb
110. 1NL9.opt-protein-trim.mol2
111. BindingDB_15814.mol2
112. BindingDB_13953.docklog.mol2
113. BindingDB_13972.docklog.results_tab.log
114. 1NL9_congener.mol2
115. BindingDB_13953.docklog.results_tab.log
116. 1NL9-results_BindingDB_15812.mol2
117. 1NL9-results_BindingDB_13972.mol2
118. bdb_1NL9_989_3D.sdf
119. BindingDB_13971.mol2
120. BindingDB_13972.frags.mol2
121. BindingDB_13971.docklog.results_tab.log
122. frag1.mol2
123. BindingDB_13966.docklog
124. BindingDB_13973.frags.mol2
125. 1NL9-results_BindingDB_15814.mol2
126. 1NL9.Targets
127. BindingDB_13972.docklog
128. BindingDB_13968.docklog.mol2