Table 1.

The studied compounds and corresponding experimental and predicted pIC₅₀ values.

Number	Structure	Experimental pIC50	Predicted pIC50
1a		6.04	5.91
2a		6.14	6.15
3a		5.70	5.81
4		6.77	6.88
5		6.18	6.23
6a		6.52	6.71
7		5.24	6.76
8		6.07	5.95
9		6.60	6.53
10		6.38	6.27
11		6.04	6.06
12a		6.48	6.48
13		6.28	5.80
14		5.54	5.47
15		6.47	6.17
16		5.47	5.81
17a		5.74	5.51
18		5.89	5.80
19		5.46	5.61
20		5.96	6.35
21a		6.38	6.12
22		6.38	6.07
23		6.72	6.64
24		6.52	6.46
25		5.80	5.84
26		6.14	6.30
27		6.52	6.46
28		6.31	6.48
29		6.35	6.18
30		6.32	6.06
31		6.03	5.80
32		5.74	5.60
33		5.20	5.50
34		5.18	5.24
35		6.70	6.59
36		6.28	6.59
37b		6.02	6.38
38b		5.66	5.49

^aThe prediction set a; ^bthe prediction set b (Bradbury et al., 2011).