Table 1.

Structures and biological activities of the dataset compounds.

Compound	R1	R2	X	pIC50
4	OCH3	Phenyl	-	5.39
5a*	OCH3	2-Nitrophenyl	-	5.27
5b	H	2-Nitrophenyl	-	4.85
6a	OCH3	2-Aminophenyl	-	5.07
6b*	H	2-Aminophenyl	-	5.00
7a	OCH3	4-Nitrophenyl	-	5.85
7b	H	4-Nitrophenyl	-	5.25
8a	OCH3	4-Aminophenyl	-	5.32
8b	H	4-Aminophenyl	-	4.92
9	OCH3	3-Quinolinyl	-	6.24
9b	H	3-Quinolinyl	-	6.37
10*	OCH3	2-Quinolinyl	-	6.07
11	OCH3	4-Quinolinyl	-	5.33
12	OCH3	6-Quinolinyl	-	6.17
13	OCH3	2-Quinoxalinyl	-	6.33
14	OCH3	1-Naphthyl	-	5.85
15*	OCH3	2-Naphthyl	-	6.20
16	OCH3	3-Pyridyl	-	5.32
17	OCH3	2-Bromophenyl	-	5.48
18	OCH3	3-Bromophenyl	-	5.74
19	OCH3	4-Bromophenyl	-	5.62
20	OCH3	3,4-Dimethoxyphenyl	-	5.38
21	OCH3	4,5-Dimethoxy-2-nitrophenyl	-	4.89
22	OCH3	3,4-Methylendioxyphenyl	-	5.68
23*	OCH3	Phenyl	-CH=CH-	5.85
24*	OCH3	2-Nitrophenyl	-CH=CH-	5.96
25	OCH3	4-Chlorophenyl	-CH=CH-	6.17
26	OCH3	4,5-Dimethoxy-2-nitrophenyl	-CH=CH-	5.82
27	OCH3	Phenyl	-CH2-O-	5.51
28	OCH3	2-Nitrophenyl	-CH2-O-	6.66
29*	OCH3	2-Aminophenyl	-CH2-O-	5.47
30a	OCH3	2-Nitrophenyl	-NH-	6.48
30b	H	2-Nitrophenyl	-NH-	6.11
31	OCH3	3-Nitrophenyl	-NH-	6.17
32	OCH3	4-Nitrophenyl	-NH-	5.82
33a	OCH3	2-Aminophenyl	-NH-	4.68
33b*	H	2-Aminophenyl	-NH-	4.72
34	OCH3	3-Aminophenyl	-NH-	4.85
35	OCH3	4-Aminophenyl	-NH-	4.52

Asterisk (*) indicates test set compounds.