1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
|
Ligand,Binding Affinity,rmsd/ub, rmsd/lb
6Y84_934,-10.1,0.0,0.0
6Y84_934,-10.1,19.183,18.249
6Y84_934,-10.0,3.492,0.337
6Y84_934,-10.0,5.825,3.957
6Y84_934,-9.8,4.199,2.469
6Y84_934,-9.8,6.813,4.063
6Y84_934,-9.8,19.056,17.989
6Y84_934,-9.8,3.356,1.999
6Y84_934,-9.8,4.629,2.622
6Y84_DB14761,-18.6,0.0,0.0
6Y84_DB14761,-16.7,6.983,2.833
6Y84_DB14761,-16.6,2.759,1.722
6Y84_DB14761,-16.4,6.214,4.701
6Y84_DB14761,-16.2,2.553,1.363
6Y84_DB14761,-16.1,5.449,3.689
6Y84_DB14761,-15.7,6.812,3.591
6Y84_ZINC000000006787,-8.3,0.0,0.0
6Y84_ZINC000000006787,-7.7,2.124,0.733
6Y84_ZINC000000006787,-7.7,1.245,0.719
6Y84_ZINC000000006787,-7.5,8.8,5.535
6Y84_ZINC000000006787,-7.3,2.249,1.569
6Y84_ZINC000000006787,-7.2,3.273,2.454
6Y84_ZINC000000006787,-7.1,3.946,2.823
6Y84_ZINC000000006787,-7.0,6.158,4.76
6Y84_ZINC000000006787,-7.0,20.123,18.239
6Y84_ZINC000000020246,-6.7,0.0,0.0
6Y84_ZINC000000020246,-6.6,5.522,2.498
6Y84_ZINC000000020246,-6.6,6.842,3.082
6Y84_ZINC000000020246,-6.2,6.012,3.228
6Y84_ZINC000000020246,-6.1,4.784,2.429
6Y84_ZINC000000020246,-6.0,6.768,3.713
6Y84_ZINC000000020246,-5.9,5.642,2.675
6Y84_ZINC000000020246,-5.7,21.023,19.629
6Y84_ZINC000000020246,-5.6,4.83,2.385
6Y84_ZINC000001529323,-7.8,0.0,0.0
6Y84_ZINC000001529323,-7.6,8.211,4.996
6Y84_ZINC000001529323,-7.6,6.291,3.903
6Y84_ZINC000001529323,-7.3,7.93,4.858
6Y84_ZINC000001529323,-7.3,7.869,4.668
6Y84_ZINC000001529323,-7.2,7.461,4.487
6Y84_ZINC000001529323,-7.0,7.752,4.637
6Y84_ZINC000001529323,-6.8,20.271,18.398
6Y84_ZINC000001529323,-6.7,20.09,18.29
6Y84_ZINC000001530741,-7.8,0.0,0.0
6Y84_ZINC000001530741,-7.8,5.046,2.338
6Y84_ZINC000001530741,-7.7,2.003,1.342
6Y84_ZINC000001530741,-7.7,7.014,2.857
6Y84_ZINC000001530741,-7.5,6.899,4.184
6Y84_ZINC000001530741,-7.3,4.829,1.906
6Y84_ZINC000001530741,-7.1,6.128,2.423
6Y84_ZINC000001530741,-7.1,20.63,18.814
6Y84_ZINC000001530741,-6.9,20.819,19.58
6Y84_ZINC000001543873,-7.6,0.0,0.0
6Y84_ZINC000001543873,-7.6,7.524,2.695
6Y84_ZINC000001543873,-7.4,5.624,4.189
6Y84_ZINC000001543873,-7.4,7.478,2.511
6Y84_ZINC000001543873,-7.2,5.763,3.603
6Y84_ZINC000001543873,-7.2,7.923,4.91
6Y84_ZINC000001543873,-7.2,7.929,6.26
6Y84_ZINC000001543873,-7.1,5.188,4.06
6Y84_ZINC000001543873,-7.1,2.966,2.03
6Y84_ZINC000003008621,-5.1,0.0,0.0
6Y84_ZINC000003008621,-5.0,4.215,2.572
6Y84_ZINC000003008621,-4.9,4.023,2.331
6Y84_ZINC000003008621,-4.8,5.727,3.323
6Y84_ZINC000003008621,-4.8,4.707,3.23
6Y84_ZINC000003008621,-4.6,3.607,1.132
6Y84_ZINC000003008621,-4.5,4.94,2.696
6Y84_ZINC000003008621,-4.5,17.72,17.016
6Y84_ZINC000003008621,-4.5,17.838,17.084
6Y84_ZINC000003873817,-9.0,0.0,0.0
6Y84_ZINC000003873817,-8.2,8.706,5.257
6Y84_ZINC000003873817,-8.0,7.126,3.758
6Y84_ZINC000003873817,-7.8,7.67,4.829
6Y84_ZINC000003873817,-7.8,20.838,18.475
6Y84_ZINC000003873817,-7.7,21.076,18.734
6Y84_ZINC000003873817,-7.7,20.604,18.418
6Y84_ZINC000003873817,-7.5,4.795,2.553
6Y84_ZINC000003873817,-7.5,22.433,19.851
6Y84_ZINC000004097185,-7.7,0.0,0.0
6Y84_ZINC000004097185,-7.5,2.603,1.725
6Y84_ZINC000004097185,-7.4,1.851,0.476
6Y84_ZINC000004097185,-7.3,3.098,2.01
6Y84_ZINC000004097185,-7.1,3.068,2.108
6Y84_ZINC000004097185,-6.8,3.774,2.178
6Y84_ZINC000004097185,-6.6,23.293,19.922
6Y84_ZINC000004097185,-6.3,23.103,19.894
6Y84_ZINC000004097185,-6.0,23.987,20.6
6Y84_ZINC000019418959,-8.0,0.0,0.0
6Y84_ZINC000019418959,-8.0,2.24,1.638
6Y84_ZINC000019418959,-7.9,2.219,1.338
6Y84_ZINC000019418959,-7.7,7.442,3.267
6Y84_ZINC000019418959,-7.5,6.061,3.057
6Y84_ZINC000019418959,-7.0,5.908,4.251
6Y84_ZINC000019418959,-6.8,4.35,3.037
6Y84_ZINC000019418959,-6.8,6.116,3.253
6Y84_ZINC000019418959,-6.7,5.729,3.856
6Y84_ZINC000019796018,-7.6,0.0,0.0
6Y84_ZINC000019796018,-7.5,6.098,3.234
6Y84_ZINC000019796018,-7.2,6.562,3.402
6Y84_ZINC000019796018,-6.8,8.404,4.578
6Y84_ZINC000019796018,-6.6,20.761,19.901
6Y84_ZINC000019796018,-6.3,21.529,20.421
6Y84_ZINC000019796018,-6.2,20.779,19.495
6Y84_ZINC000019796018,-6.1,22.048,20.536
6Y84_ZINC000019796018,-6.1,21.261,20.101
6Y84_ZINC000095483532,-8.4,0.0,0.0
6Y84_ZINC000095483532,-7.8,4.168,2.932
6Y84_ZINC000095483532,-7.8,4.944,3.836
6Y84_ZINC000095483532,-7.7,6.087,4.635
6Y84_ZINC000095483532,-7.6,4.113,2.834
6Y84_ZINC000095483532,-7.4,6.23,1.819
6Y84_ZINC000095483532,-7.3,6.414,3.451
6Y84_ZINC000095483532,-7.1,6.169,2.081
6Y84_ZINC000095483532,-7.1,6.875,2.706
6Y84_null,-12.1,0.0,0.0
6Y84_null,-11.6,4.291,1.951
6Y84_null,-11.4,8.479,6.901
6Y84_null,-11.1,8.392,7.159
6Y84_null,-11.1,7.118,5.587
6Y84_null,-10.8,9.35,7.608
6Y84_null,-10.5,9.14,7.489
6Y84_null,-10.4,8.116,5.556
6Y84_null,-10.3,20.272,19.877
6Y84_vigabatrin,-7.4,0.0,0.0
6Y84_vigabatrin,-7.4,10.551,10.077
6Y84_vigabatrin,-7.4,2.186,1.27
6Y84_vigabatrin,-7.2,3.625,2.685
6Y84_vigabatrin,-7.2,2.781,1.823
6Y84_vigabatrin,-6.9,2.02,1.563
6Y84_vigabatrin,-6.8,10.516,10.023
6Y84_vigabatrin,-6.5,9.863,9.603
6Y84_vigabatrin,-6.4,10.401,10.032
|
