1	NHQ	(3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate	1.000
2	1C4	(2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)	0.775
3	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate	0.773
4	CMC	Carboxymethyl coenzyme *a	0.773
5	SOP	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate	0.773
6	LYX	N''-(2-coenzyme a)-propanoyl-lysine	0.764
7	8HB	(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid	0.761
8	OXK	Oxalyl-coenzyme a	0.761
9	UQ3	S-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2r)-2-hydroxypropanethioate	0.761
10	ACO	Acetyl coenzyme *a	0.758
11	WZG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)	0.754
12	3KK	S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate	0.750
13	1VU	Propionyl coenzyme a	0.746
14	01K	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate	0.743
15	FYN	S-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate	0.742
16	COF	Trifluoroacetonyl coenzyme a	0.739
17	KFV	[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium	0.739
18	COA	Coenzyme a	0.738
19	COZ	Coenzyme a	0.738
20	2MC	Methacrylyl-coenzyme a	0.735
21	A1S	Isopentyl-coenzyme a	0.735
22	BCO	Butyryl coenzyme a	0.735
23	CO6	Isobutyryl-coenzyme a	0.735
24	COO	Crotonyl coenzyme a	0.735
25	YAS	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate	0.735
26	COT	Coa-S-acetyl tryptamine	0.730
27	IRC	S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate	0.729
28	CAO	Oxidized coenzyme a	0.727
29	COS	Coenzyme a persulfide	0.727
30	1GZ	Methylthioacryloyl-CoA	0.725
31	1HE	3-methylmercaptopropionate-CoA (mmpa-CoA)	0.725
32	2CP	2-carboxypropyl-coenzyme a	0.725
33	3CP	3-carboxypropyl-coenzyme a	0.725
34	3HC	3-hydroxybutanoyl-coenzyme a	0.725
35	52O	Pivalyl-coenzyme a	0.725
36	CAA	Acetoacetyl-coenzyme a	0.725
37	IVC	Isovaleryl-coenzyme a	0.725
38	MLC	Malonyl-coenzyme a	0.725
39	DCA	Desulfo-coenzyme a	0.723
40	CA5	Coa-S-acetyl 5-bromotryptamine	0.720
41	0FQ	Phenacyl coenzyme a	0.718
42	TUY	(3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)	0.718
43	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)	0.716
44	2KQ	(3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid	0.714
45	HXC	Hexanoyl-coenzyme a	0.714
46	MC0	(S)-methylmalonyl-coenzyme a	0.714
47	MC4	2-methylacetoacetyl CoA	0.714
48	MCA	Methylmalonyl-coenzyme a	0.714
49	SCA	Succinyl-coenzyme a	0.714
50	T1G	(2s,3s)-3-hydroxy-2-methylbutanoyl-CoA	0.714
51	TC6	(2e)-hexenoyl-CoA	0.714
52	V0V	(3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)	0.714
53	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate	0.712
54	UT7	Oxa(dethia)-CoA	0.712
55	01A	4-chlorophenacyl-coenzyme a	0.708
56	4CO	4-hydroxyphenacyl coenzyme a	0.708
57	ETB	Ethyl coenzyme a	0.708
58	3H9	(S)-3-hydroxyhexanoyl-CoA	0.704
59	GRA	Glutaryl-coenzyme a	0.704
60	N9V	5'-O-[(S)-{[(S)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)	0.704
61	NBC	S-4-nitrobutyryl-CoA	0.704
62	NJS	Itaconyl coenzyme a	0.704
63	OA9	Mesaconyl coenzme a	0.704
64	TGC	3-thiaglutaryl-CoA	0.704
65	YXR	(2r)-sulfonatepropionyl-CoA	0.704
66	YXS	(2s)-sulfonatepropionyl-CoA	0.704
67	ZKK	(2s)-methylsuccinyl-CoA	0.704