NO.	R3	R4	R5	B	Fold Activation	Class a Exp.	Predicted Class
							LDA	SVM	RBFNN	CART
13	5-methylfuran-2-yl	OH	NH2	d	2.09	1	1	1	1	1
14	5-methylthiophen-2-yl	OH	NH2	d	2.00	1	1	1	1	1
15	4-ethoxyphenyl	OH	NH2	d	1.92	1	1	1	1	1
16	4-(methylthio)phenyl	OH	NH2	d	1.26	0	0	0	0	0
17 *	3-methoxyphenyl	OH	NH2	d	2.09	1	1	1	1	1
18	4-fluorophenyl	OH	NH2	d	1.36	0	0	0	0	0
19	4-chlorophenyl	OH	NH2	d	1.16	0	0	0	0	0
20	3,5-bis(trifluoromethyl)-phenyl	OH	NH2	d	1.12	0	0	0	0	0
21*	5-methylfuran-2-yl	OH	NH2	s	1.90	1	1	1	1	1
22	3,4,5-trimethoxyphenyl	OH	NH2	d	0.98	0	1	0	0	0
23	3,4-dimethoxyphenyl	OH	NH2	d	1.86	1	0	0	0	1
24	4-isopropylphenyl	OH	NH2	d	2.05	1	1	1	1	1
25	4-ethylphenyl	OH	NH2	d	1.73	1	1	1	1	1
26	(1,1'-biphenyl)-4-yl	OH	NH2	d	1.55	0	0	0	0	0
27 *	3-phenoxybenzen-1-yl	OH	NH2	d	1.76	1	1	1	1	1
28	5-(4-methoxyphenyl)-thiophen-2-yl)	OH	NH2	d	1.09	0	0	0	0	0
29	benzo[b]thiophen-3-yl	OH	NH2	d	2.31	1	1	1	1	1
30 *	1H-indol-3-yl	OH	NH2	d	1.76	1	1	1	1	0
31	naphthalen-2-yl	OH	NH2	d	2.64	1	1	1	1	1
32	benzo[d][1,3]dioxol-5-yl	OH	NH2	d	1.92	1	1	1	1	1
33	5-methylfuran-2-yl	OCH3	N(CH3)2	d	1.57	0	0	0	0	0
34	naphthalen-2-yl	OCH3	N(CH3)2	d	1.35	0	0	0	0	0
35 *	naphthalen-2-yl	OH	NH2	s	1.34	0	1	1	1	1
36	naphthalen-2-yl	OCH3	NH2	d	0.88	0	0	0	0	0
37	5-methylfuran-2-yl	OCH3	NH2	d	1.20	0	0	0	0	0
38	5-methylthiophen-2-yl	OCH3	NH2	d	1.50	0	0	0	0	0
39	4-ethoxyphenyl	OCH3	NH2	d	1.06	0	0	0	0	0
40	5-methylfuran-2-yl	OH	N(CH3)2	d	1.02	0	1	0	0	0
41 *	5-methylthiophen-2-yl	OH	CH3CONH	d	1.08	0	0	0	0	0

* Test set; ^a 1 denotes high active compounds, 0 denotes low active compounds; in column “B”, s denotes single bond, d denotes double bond.