Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	1-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indol-3-yl]hexan-1-one	COVPDB1017	CCCCCC(=O)N1C[C@@H](CCl)c(c12)c3c(c(c2)O)cccc3	3
2	(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid	COVPDB1106	N[C@H]1C[C@H](CC1=C(C(F)(F)F)C(F)(F)F)C(O)=O	2
3	2,3-difluoro-KDN	COVPDB803	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](F)([C@H](F)[C@H](O)[C@H]1O)C(O)=O	1
4	2,3-difluoro-N-acetylneuramic acid	COVPDB814	CC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@@H](O)CO)C(O)=O	8
5	2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride	COVPDB799	O[C@H]1[C@H](O)[C@@H](O[C@@H](F)[C@@H]1F)C(O)=O	1
6	2-F-mannosyl-F	COVPDB804	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](F)[C@@H](O1)F	1
7	(2S)-2-amino-N-(4-bromobutyl)propanamide	COVPDB1421	C[C@H](N)C(=O)NCCCCBr	1
8	(2S)-2-amino-N-(5-bromopentyl)propanamide	COVPDB262	C[C@H](N)C(=O)NCCCCCBr	1
9	3-bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate	COVPDB1307	ClCc(c1)ccc(c12)oc(=O)c(c2)C(=O)Oc3cccc(Br)c3	1
10	3‐chlorophenyl 6‐(chloromethyl)coumarin‐3‐carboxylate	COVPDB1062	ClCc(cc1)cc(c12)cc(c(o2)=O)C(=O)Oc3cccc(Cl)c3	2
11	4-(bromomethyl)benzoic acid	COVPDB221	OC(=O)c1ccc(CBr)cc1	1
12	4-chloromethylimidazole	COVPDB235	ClCc1c[nH]cn1	1
13	4-DEOXY-2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID	COVPDB459	CC(=O)N[C@@H]1C[C@@H](F)[C@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	1
14	5-Chloromethyl-5'-methyl-2,2'-bipyridine	COVPDB756	Cc1cnc(cc1)-c2ncc(CCl)cc2	3
15	5-fluoro-alpha-D-xylopyranosyl fluoride	COVPDB794	O[C@H]1[C@H](O)[C@H](F)O[C@H](F)[C@@H]1O	1
16	({5-hydroxy-6-methyl-4-[(E)-[(2,2,2-trifluoroethyl)imino]methyl]pyridin-3-yl}methoxy)phosphonic acid	COVPDB1069	Cc1ncc(COP(O)(O)=O)c(\C=N\CC(F)(F)F)c1O	1
17	6-(bromomethyl)-5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid	COVPDB1309	OC(=O)c1cc(=O)c(O)c(CBr)o1	1
18	7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID	COVPDB452	CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1C[C@H](O)CO)C(O)=O	1
19	8-DEOXY-2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID	COVPDB451	CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](F)(O[C@H]1[C@H](O)CCO)C(O)=O	1
20	9-DEOXY-2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID	COVPDB454	C[C@@H](O)[C@@H](O)[C@@H]1O[C@@](F)([C@H](F)C(=O)[C@H]1NC(C)=O)C(O)=O	1
21	ALPHA-DIFLUOROMETHYLORNITHINE	COVPDB709	NCCC[C@@](N)(C(F)F)C(O)=O	1
22	CFT	COVPDB792	Fc1ccc(cc1)-c2csc(c23)nc(CCl)[nH]c3=O	1
23	dansyl-PEG2-HTL	COVPDB400	CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCOCCOCCCCCCCl	1
24	FeqGuDFSA	COVPDB1504	CC(=O)N[C@@H]1[C@@H](NC(N)=N)[C@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	1
25	H-diaziflurane	COVPDB688	FC(F)(F)COC(F)(F)F	1
26	monobromobimane	COVPDB458	Cc1c(C)c(=O)n(n12)c(=O)c(C)c2CBr	1
27	N-(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)-2-[N-methyl-7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamido]acetamide	COVPDB437	CNc1ccc(c(c12)non2)S(=O)(=O)N(C)CC(=O)NCCOCCOCCCCCCCl	1
28	N-(6-chlorohexyl)-2-[N-methyl-7-(dimethylamino)-2,1,3-benzothiadiazole-4-sulfonamido]acetamide	COVPDB403	CN(C)c1ccc(c(c12)nsn2)S(=O)(=O)N(C)CC(=O)NCCCCCCCl	1
29	OL-135	COVPDB578	BrCc1ccc(nc1)-c2cnc(o2)C(=O)CCCCCCc3ccccc3	1
30	PBRM	COVPDB775	BrCCc(cc1)cc(CC2)c1[C@@H](CC3)[C@@H]2[C@@H]([C@]34C)C[C@@H]([C@@H]4O)Cc5cccc(c5)C(=O)N	1
31	(S)-Phosphostim	COVPDB1299	BrC[C@@](C)(O)CCOP(=O)([O-])OP(=O)([O-])[O-]	1