Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	1,2-epoxy-3-(p-nitrophenoxy)propane	COVPDB766	[O-][N+](=O)c1ccc(cc1)OC[C@H]2CO2	1
2	1,2-epoxyhexane	COVPDB357	CCCC[C@H]1CO1	2
3	1,2-Epoxyoctane	COVPDB354	CCCCCC[C@H]1CO1	3
4	14,15-EET	COVPDB751	CCCCC[C@H]1O[C@@H]1C\C=C/C\C=C\C\C=C/CCCC(O)=O	1
5	(±)14,15-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid	COVPDB371	CC\C=C/C[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O	1
6	16,17-epoxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid	COVPDB353	CC\C=C/C[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	1
7	(±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid	COVPDB372	CC[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	1
8	(±)19,20-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid	COVPDB363	CC[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	1
9	(1R,2R)-1,2-Epoxycyclohexane	COVPDB212	[C@H]12[C@H](O2)CCCC1	1
10	2,3- epoxypropyl-alpha-D-glucopyranoside	COVPDB765	C1O[C@H]1CO[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO	2
11	2,3-EPOXYPROPYL-BETA-D-XYLOSIDE	COVPDB606	C1O[C@H]1CO[C@H]2[C@H](O)[C@@H](O)[C@@H](CO2)O	1
12	(2S,3R,4S,5R)-2-{[(1R,3R,4R,5R,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}oxane-3,4,5-triol	COVPDB917	O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)O[C@H](C[C@@H](O2)[C@@H]23)[C@H](O)[C@H]3O	2
13	(2S,3S)-2-(6-methoxynaphthalen-2-yl)-3-methyloxirane	COVPDB161	COc(c1)ccc(c12)cc(cc2)[C@@H]3O[C@H]3C	1
14	3,4-Epoxybutyl beta-D-Cellobioside	COVPDB949	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)OCC[C@H]3CO3	1
15	3,4‐epoxybutyl‐beta‐D‐xyloside	COVPDB10	O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)OCC[C@@H]2CO2	1
16	(3S,5R,7R,8S)-5,7,8-Trihydroxy-1-oxaspiro[2.5]octane-5-carboxylic acid	COVPDB1456	O[C@@H]1C[C@@](O)(C[C@]2(CO2)[C@H]1O)C(O)=O	2
17	(3S,7R,8S)-7,8-dihydroxy-1-oxaspiro[2.5]octane-5-carboxylic acid	COVPDB810	O[C@@H]1C[C@H](C[C@]2(CO2)[C@H]1O)C(O)=O	2
18	4,5-EPOXYPENTYL-BETA-D-XYLOSIDE	COVPDB611	C1O[C@@H]1CCCO[C@H]2[C@H](O)[C@@H](O)[C@@H](CO2)O	1
19	(4R,7R)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate	COVPDB246	COc1ccc(cc1)Cn2nnc(c2[C@]34CO3)[C@@H](CC4)OC(=O)NC(C)C	1
20	(4R,7S)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate	COVPDB249	COc1ccc(cc1)Cn2nnc(c2[C@]34CO3)[C@H](CC4)OC(=O)NC(C)C	1
21	(4S)-4-{[(benzyloxy)carbonyl]amino}-4-{[(1S)-1-[N'-(carboxymethyl)-N'-[(2S,3S)-3-[(2-phenylethyl)carbamoyl]oxirane-2-carbonyl]hydrazinecarbonyl]-2-methylpropyl]carbamoyl}butanoic acid	COVPDB1085	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccccc1	1
22	(4S,7R)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate	COVPDB425	COc1ccc(cc1)Cn2nnc(c2[C@@]34CO3)[C@@H](CC4)OC(=O)NC(C)C	1
23	4-Vinyl-1-cyclohexene 1,2-epoxide	COVPDB401	C=C[C@@H](C1)CC[C@H](O2)[C@H]12	4
24	alpha-EBG	COVPDB746	C1O[C@H]1CCO[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO	3
25	B-CA059	COVPDB252	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
26	CA073	COVPDB343	CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3	2
27	CA074	COVPDB9	CCCNC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O	3
28	CA075	COVPDB344	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O	1
29	CA076	COVPDB345	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
30	CA077	COVPDB346	c1ccccc1CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)OCc4ccccc4	1
31	carfilzomib	COVPDB181	c1ccccc1C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc3ccccc3)NC(=O)CN4CCOCC4	2
32	CBZ-ASP-GLU-VAL-azaASP-EP-CO-N(CH2PH)2	COVPDB1117	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1	1
33	CBZ-ASP-GLU-VAL-azaASP-EP-CO-NH-CH2PH	COVPDB1119	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1	1
34	CBZ-ASP-GLU-VAL-azaASP-EP-COO-CH2PH	COVPDB1118	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)OCc1ccccc1	1
35	CBZ-ILE-GLU-THR-azaASP-EP-CO-ALA-NH-CH2-PH	COVPDB1120	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccccc1	1
36	Cbz-Leu-Phe-AGln-EP-COOEt	COVPDB519	CCOC(=O)[C@H]1O[C@H]1C(=O)N(CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	3
37	cerulenin	COVPDB98	O=C(N)[C@@H]1O[C@@H]1C(=O)CC/C=C/C/C=C/C	8
38	cis-Stilbene Oxide	COVPDB355	c1ccccc1[C@H]2O[C@H]2c3ccccc3	1
39	CLIK148	COVPDB607	c1ccccc1C[C@H](C(=O)N(C)C)NC(=O)[C@H]2O[C@@H]2C(=O)NCCc3ccccn3	1
40	conduritol-beta-epoxide	COVPDB627	[C@@H]12[C@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2
41	cyclophellitol	COVPDB1489	[C@H]12[C@H](O1)[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	1
42	E64	COVPDB739	CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N	12
43	E-64-C	COVPDB741	CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1O[C@H]1C(O)=O	3
44	E64d	COVPDB742	CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	1
45	E64-R-P-NH2	COVPDB740	CC(C)C[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O)C(=O)NCCCCNC(N)=N	1
46	epibromohydrin	COVPDB747	BrC[C@H]1CO1	1
47	EpoY	COVPDB567	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O	2
48	fosfomycin	COVPDB793	C[C@@H]1O[C@@H]1P(O)(O)=O	6
49	FUMAGILLIN	COVPDB819	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@@]23CO3)[C@H](OC)[C@@H](CC2)OC(=O)/C=C/C=C/C=C/C=C/C([O-])=O	1
50	Glucosyl epi-cyclophellitol	COVPDB279	OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)O[C@H]([C@H]2CO)[C@H](O)[C@@H](O)[C@H](O3)[C@H]23	1
51	JCP598	COVPDB518	CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
52	LU-005i	COVPDB180	C1CCCCC1C[C@@H](C(=O)[C@@]2(C)CO2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4	1
53	ME569	COVPDB911	c1cccc(c12)C(C)(C)C(\N2C)=C/C=C/C=C/C(C3(C)C)=[N+](c(c34)cccc4)CCCCCC(=O)NCc5cn(nn5)C[C@@H]([C@@H](O6)[C@@H]67)[C@@H](O)[C@H](O)[C@H]7O	1
54	ME655	COVPDB908	[C@H]12[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1Cn3cc(nn3)CCCOc4ccc(cc4)-c5ccccc5	1
55	ME656	COVPDB1282	[C@H]12[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1Cn3cc(nn3)CCCOCC45C[C@H]6C[C@@H](C4)C[C@H](C6)C5	1
56	N-[(1S,2R,3R,4R,5R,6R)-3,4-dihydroxy-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-2,2,2-trifluoroacetamide	COVPDB895	OC[C@@H]([C@@H](O1)[C@@H]12)[C@@H](O)[C@H](O)[C@H]2NC(=O)C(F)(F)F	1
57	N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE	COVPDB348	CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O	1
58	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE	COVPDB6	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
59	NS-134	COVPDB764	COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O	1
60	ONX 0914	COVPDB873	c1ccccc1C[C@@H]([C@@H](O2)C2(C)C)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4	1
61	(R)-Alpha-phenylglycidate	COVPDB504	[O-]C(=O)[C@@]1(CO1)c2ccccc2	1
62	R-Glycidol phosphate	COVPDB827	OP(O)(=O)OC[C@H]1CO1	2
63	Styrene oxide	COVPDB789	C1O[C@@H]1c2ccccc2	3
64	taccalonolide AJ	COVPDB1376	O1[C@H]([C@]123)[C@@H](C)[C@H]4[C@H]([C@@]2(C)[C@](C(O3)=O)(C)O)[C@H](O)[C@H]5[C@H]6[C@H]([C@H](OC(=O)C)[C@@H]([C@]45C)OC(=O)C)[C@]7(C)[C@@H](C(=O)[C@@H]6O)C[C@H]8[C@H](O8)[C@@H]7OC(=O)C	1
65	WR13(R,R)	COVPDB1153	CCOC(=O)[C@@H](C)[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	1
66	WR18(S,S)	COVPDB1152	CCOC(=O)[C@@H]1O[C@@H]1C(=O)N[C@@H](CCC#N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	1
67	WRR-112	COVPDB1283	CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(O)=O	1
68	WRR-99	COVPDB1274	CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(O)=O	1
69	ZEN-3219	COVPDB809	Cc1noc(C)c1-c2cn(c(=O)cc2)Cc3ccc(cc3)[C@H]4CO4	1