ID	Name	Family	Log P	Accessible Area	Volume	COOH	Num OH	F3-OH	F-5OH	F6-OH	F7-OH	F13-OH	F14-OH	Cm6-OH	Cm7-OH	Ck3-N	Ck7-N	Ck-OH	Cn2-OH	Cn3-OH	Cn4-OH	UGT71C1	UGT71C2	UGT71C3	UGT71C4	UGT71C5	UGT71B8	UGT71B6	UGT71B5	UGT71B1	UGT88A1	UGT72E2	UGT72E3	UGT72E1	UGT72D1	UGT72C1	UGT72B3	UGT72B1	UGT73C3	UGT73C4	UGT73C5	UGT73C6	UGT73C1	UGT73C7	UGT73B2	UGT73B3	UGT73B4	UGT73B5	UGT73B1	UGT89B1	UGT89C1	UGT84A3	UGT84A4	UGT84A2	UGT84A1	UGT84B1	UGT84B2	UGT75B1	UGT75D1	UGT74F1	UGT74F2	UGT74B1	UGT76E5	UGT76E4	UGT76E1	UGT76E2	UGT76E12	UGT76E11	UGT76C4	UGT85A5	UGT85A4	UGT78D2	UGT78D1	VVGT1
2	Baicalein	1	3.11	460.41	193.278	0	3	0	8.08	10.45	6.87	0	0									0	0	1	2	2	1	1	1	1	1	0	0	0	0	0	0	0	1	0	1	1	1	0	2	1	1	1	1	0	0	1	1	1	1	0	0	1	0	0	1	0	0	1	1	1	1		1	1	1	1	0	1
3	Umbelliferone	2	1.58	325.177	115.245	0	1							0	9.11							0	0	0	2	0	0	2	0	1	0	0	0	0	0	0	0	1	0	0	2	1	0	0	0	0	0	0	1	0	0	2	0	1	1	0	2	1	0	0	1	2	0	0	0	0	2	1	2	0	0	2	0	1
4	4-Methyl-umbelliferone	2	1.74	351.454	132.289	0	1							0	9.12							0	2	0	0	1	0	2	0	1	1	0	0	0	1	0	1	1	1	0	1	1	1	0	0	1	1	0	1	0	0	1	0	1	1	1	0	1	0	0	1	2	0	0	0	2	1	1	0	0	0	1	0	1
5	Sinapic acid	10	2.8	411.385	159.218	4.17	1															1	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	1	1	1	1	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0
6	4-hydroxyl-benzoic acid	5	3.11	302.821	102.181	4.57	1															0	0	1	1	0	0	2	0	1	2	0	0	0	2	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	1	1	1	0	0	1	0	2	1	0	0	0	0	0	0	0	0	0	0	1	0	0
7	a-cyano-4-hydroxyl-cinamic acid	4	1.53	378.362	140.139	1.17	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	2	0	0	2	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
8	"3,4-dichloroaniline"	11	2.51	313.579	111.91	0	0															0	0	0	0	0	0	2	0	0	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
9	"3,4-dihydroxylbenzoic acid"	5	1	312.879	108.768	4.45	2															1	2	1	1	2	0	0	0	1	0	2	2	2	1	0	2	1	0	0	0	0	2	0	0	1	1	0	0	1	0	0	0	0	1	0	2	1	0	2	1	0	0	0	2	0	0	0	0	2	0	1	0	2
10	" 2,5-dihydroxylbenzoic acid"	5	1.68	312.376	108.962	3.01	2															2	2	1	1	2	0	0	0	1	0	2	2	0	1	0	2	1	0	0	0	0	2	0	0	1	1	0	0	1	0	0	0	0	2	0	0	1	0	2	0	0	0	2	0	0	0	0	0	2	0	0	0	0
11	 D-glycerate	11	-1.92	256.482	78.697	3.42	2															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
12	 GlcNAc	11	-2.48	411.812	182.586	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
13	 Indole 3-acetate	8	1.58	369.567	140.09	4.49	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	1	1	1	1	0	0	1	0	0	0	2	0	0	0	0	0	0	0	0	0
14	 Gibberellin A3	7	0.24	518.267	297.542	4.13	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
15	 Gibberellin A4	7	1.7	517.605	299.34	4.3	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16	 (?)-Jasmonic acid	6	1.66	427.829	210.84	4.52	0															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
17	" (?)- cis, trans Abscisic acid"	9	1.75	499.018	246.338	4.76	0															0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	1	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18	 Kinetin	3	1.2	418.387	157.373	0	0									4.1	9.66	0				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
19	Zeatin	3	0.83	448.358	179.888	0	1									4.05	9.68	14.75				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
20	Luteolin	1	2.53	472.988	198.818	0	4	0	7.05	0	8.24	9.94	10.03									1	1	1	1	2	1	1	1	1	1	0	0	2	1	0	0	0	1	0	1	1	1	1	1	1	1	1	1	2	0	1	1	1	1	1	1	1	1	1	1	1	2	0	1	0	1	0	1	1	1	1	0	1
21	Quercetin	1	3.55	481.865	205.611	0	5	8.74	6.9	0	8.14	9.94	13.03									1	2	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	0	1	0	0	1	1	1	0	0	0	1	1	1	1	0	1	1	1
22	 Fisetin	1	3.57	472.277	199.009	0	4	9.1	0	0	7.43	9.94	13.03									1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	0	1	0	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1
23	 Kaempferol	1	3.57	472.613	199.522	0	4	9.1	6.93	0	8.16	0	10.42									1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
24	Cinnamic acid	4	2.13	343.771	119.786	3.88	0															0	0	0	0	0		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	1	1	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25	4-hydroxy cinnamic acid	4	1.46	356.244	126.853	4.1	1															1	1	0	0	0	0	0	0	0	0	1	2	0	2	0	0	0	0	0	0	0	0	0	0	1	0	0	0	2	0	1	1	1	1	1	0	1	2	2	0	2	0	2	2	0	0	0	0	0	0	0	0	0
26	"3,4-dihyroxy cinnamic acid"	4	1.15	366.128	133.349	4.04	2													9.84	12.79	1	1	1	1	0	1	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	2	0	0	1	0	1	0	1	0	1	1	1	1	1	0	1	0	2	0	0	0	0	0	0	1	0	0	0	0	1	0	1
27	4-hydroxy 3-methoxy cinnamic acid	4	1.51	400.427	150.267	4.04	1														10.22	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	2	1	1	1	1	1	0	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
28	2-hydroxy cinnamic acid	4	2.43	349.587	125.083	3.94	1												10.33			1	1	1	1	0	1	0	0	1	0	1	2	2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	2	1	1	0	0	1	2	2	2	2	0	2	2	0	0	0	0	0	0	0	0	0
29	3-hydroxy cinnamic acid	4	1.83	356.005	126.748	3.82	1													10		0	0	0	2	0	2	0	0	0	0	1	2	2	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	1	2	2	0	0	0	2	2	0	0	0	0	0	0	0	0	0
30	7-hydroxy 6-methoxy coumarin (Scopoletin)	2	1.28	370.949	138.956	0	1							0	9.14							1	1	1	1	1	1	2	1	1	1	1	1	2	1	1	1	1	1	0	1	1	1	1	3	1	1	1	1	1	0	1	2	1	1	0	1	2	2	1	1	2	0	1	1	2	1	1	0	0	0	1	3	1
31	"6,7-dihydroxy coumarin (Esculetin)"	2	0.98	336.533	121.938	0	2							11.8	8.96							2	1	1	1	1	1	2	2	1	1	1	1	2	1	1	1	1	1	0	1	1	1	1	2	1	1	1	1	1	2	2	2	1	1	2	2	1	2	1	1	1	0	2	1	2	1	1	1	0	0	1	0	1
32	Threonine	11	-2.94	260.528	79.922	2.19	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
33	Glucose	11	-1.88	346.92	142.962	0	2																0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
34	Dihydrojasmonic acid	6	2.03	459.55	217.611	4.52	2															0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	1	1	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35	Ser-Phe	11	0.04	437.676	176.107	3.37	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	2	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
36	Ser-Leu	11	-0.4	410.041	154.436	3.13	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
37	BocCysThrOMe	11	1.5	531.147	228.386	0	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
38	1-Thio-S-cyanomethyl-N-acetyl-D-glucosamine	11	-0.92	482.6	226.395	0	3															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
41	MUGlcNAc	11	0.33	620.393	302.933	0	1															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
42	Trans-dihydroquercetin (DHQ)	1	0.95	493.665	216.798	0	5	11.9	7.4	0	8.4	9.48	12.3									1	0	1	1	0	0	1	1	1	1	0	0	0	1	0	0	3	1	0	1	1	1	0	0	1	1	1	1	0	0	0	1	1	1	1	0	1	0	0	0	1	2	0	0	0	2	0	0	0	0	1	0	1
47	7-hydroxycoumerin 3-carboxylic acid	2	1.55	367.065	138.068	2.07	1							0	9.31							0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	2	0	1	0	0	0	0	0	1	1	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2
48	7-hydroxycoumerin 4-acetic acid	2	1.52	392.889	157.45	4.24	1							0	9.1							0	2	0	0	2	0	0	0	1	0	0	0	0	0	0	1	3	0	0	0	0	1	0	2	0	0	1	0	0	0	0	0	0	0	0	0	0	2	0	0	2	0	0	0	0	1	0	0	0	0	0	0	2
49	Chloramphenicol	11	1.02	500.618	233.412	0	2															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	2	2	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
52	?-GlcOBn	11	-0.71	503.054	224.132	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
53	a-ManOBn	11	-0.71	503.046	223.414	0	4															0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	2	2	3	0	0	0	0	0	3	0	0	0	2	2
54	a-ManOPh	11	-0.67	460.507	206.74	0	4															0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
55	a-ManOCH2Bn	11	-0.5	533.018	240.693	0	4															0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
56	a-ManOPMP	11	-0.73	508.656	230.061	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
57	a-ManOBn(pNO2)	11	-0.98	554.957	247.817	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
58	a-ManOPhF5	11	-0.06	485.447	226.564	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
59	a-ManOBnF5	11	-0.53	528.054	240.845	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
60	ManSTol	11	-0.1	504.233	237.923	0	4															0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	3	0	0	0	0	0
63	Catechin	1	0.31	495.705	219.379	0	5	14.06	10.6	0	9.64	9.54	12.43									2	0	0	0	2	0	0	2	2	1	0	2	2	1	0	0	3	1	0	1	1	0	0	0	1	0	1	2	0	1	0	0	1	1	1	2	0	0	2	1	1	0	0	0	0	0	0	0	0	0	1	0	1
64	Genistein	1	3.14	461.088	193.664	0	3	0	7.08	0	8.26	0	9.66									1	0	1	0	0	0	0	1	2	1	0	0	0	1	0	0	3	2	0	1	1	1	0	1	0	1	1	0	0	0	1	1	1	1	0	0	1	0	0	1	1	0	0	2	0	1	0	2	2	0	0	2	1
65	N6-Benzyladenine	3	2.04	439.329	175.351	0	0									4.1	9.81	0				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
66	Trans-Zentin-Glucose	3	-1.2	646.895	313.106	0	3									4.05	9.68	0				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	2	0	0	0	3	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
67	DihydroZeatin	3	0.63	455.256	189.717	0	1									4.1	9.81	14.98				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	1	1	0	0	0	1	0	0	0	0	0	3	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
68	Olomoucine	3	-0.07	588.113	246.543	0	1									6.09	0	14.56				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	1	1	1	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
69	N6-isopentenyladenine	3	2.31	436.843	170.873	0	0									4.7	9.75	0				0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
72	Spectinomycin	11	1.27	539.54	284.939	0	1															3	3	0	0	3	0	0	3	0	0	0	0	0	0	0	3	3	3	3	0	0	3	3	3	3	0	0	0	0	0	3	3	3	3	3	3	3	3	0	3	3	3	0	0	0	0	0	3	0	0	0	3	3
