Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	1,5-IAENS	COVPDB485	OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12	2
2	(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide	COVPDB969	c1ccccc1[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	1
3	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid	COVPDB774	OS(=O)(=O)c1cc(NC(=O)CCl)ccc1C#Cc1ccc(NC(=O)CCl)cc1S(O)(=O)=O	1
4	2-BENZYL-3-IODO-PROPANOIC ACID	COVPDB563	OC(=O)[C@H](CI)Cc1ccccc1	1
5	2-bromoacetophenone	COVPDB479	BrCC(=O)c1ccccc1	1
6	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide	COVPDB383	ClCC(=O)Nc(c1)ccc(c12)c(ncn2)Nc3cc(O)ccc3Cl	1
7	2-chloro-1-(1H-indol-3-yl)ethanone	COVPDB168	c1cccc(c12)[nH]cc2C(=O)CCl	1
8	2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide	COVPDB269	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)CCl)n2)cc1	1
9	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide	COVPDB1475	ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2	1
10	2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide	COVPDB1192	COCCN(C)S(=O)(=O)c1c(Cl)ccc(c1)NC(=O)CCl	1
11	2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide	COVPDB1195	CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	1
12	2-CHLORO-N-BUTYRIC ACID	COVPDB588	CC[C@H](Cl)C([O-])=O	1
13	(2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE	COVPDB905	CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[C@H](Cl)C)Cc1ccccc1	1
14	3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}	COVPDB174	c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	3
15	3'-DEOXY-3'-BROMOACETAMIDO-THYMIDINE	COVPDB483	O=c1[nH]c(=O)n(cc1C)[C@H]2C[C@H](NC(=O)CBr)[C@H](O2)CO	1
16	4-IODO-ACETAMIDO PHENYLBORONIC ACID	COVPDB936	OB(O)c1cccc(c1)NC(=O)CI	2
17	5-({5-[(1-carboxy-4-chloro-3-oxobutan-2-yl)carbamoyl]-5-phenylpentyl}sulfamoyl)-2-hydroxybenzoic acid	COVPDB278	OC(=O)CC(NC(=O)C(CCCCNS(=O)(=O)C1=CC(C(O)=O)=C(O)C=C1)C1=CC=CC=C1)C(=O)CCl	1
18	5-CHLORO-4-OXOPENTANOIC ACID	COVPDB1397	ClCC(=O)CCC(=O)[O-]	1
19	5-Iodoaceamido-1,10-phenanthroline	COVPDB1246	ICC(=O)Nc1cc(cccn2)c2c(c13)nccc3	1
20	amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium	COVPDB13	NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)CCl	1
21	BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE	COVPDB1506	C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)CF	1
22	BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE	COVPDB1512	Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C)C(=O)CF)NC(=O)OCc2ccccc2	1
23	BHAP	COVPDB546	OP(O)(=O)OCC(=O)CBr	2
24	C1-31	COVPDB227	CCSCOc1ccc(cc1NC(=O)CCl)S(=O)(=O)N2CCCCCC2	1
25	CAS329306	COVPDB1396	Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)CCl)Cc2ccccc2	1
26	CMK pantoamide	COVPDB1400	OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)CCl	1
27	D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE	COVPDB689	N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)CCl)C(=O)[C@@H]1CCCN1	1
28	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]-L-prolinamide	COVPDB17	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	3
29	(E)-5-Bromo-4-oxo-pent-2-enoic acid 	COVPDB1308	OC(=O)\C=C\C(=O)CBr	5
30	FFRCK	COVPDB887	N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	1
31	JLJ686	COVPDB440	N#Cc(c1)ccc(c12)c(N(C)C(=O)CCl)cc(c2C)Oc3c(cccc3)OCCn4ccc(=O)[nH]c4=O	2
32	L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-oxoethyl]butyl}glycinamide	COVPDB18	N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	1
33	methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone	COVPDB498	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl	3
34	ML175	COVPDB1097	O=[N+]([O-])c1ccc(cc1)N(C(=O)CCl)CCCNC(=O)C(F)(F)F	1
35	N-(1-Pyrenyl)iodoacetamide	COVPDB91	c1ccc(c2c13)ccc4c2c(cc3)c(cc4)NC(=O)CI	1
36	N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE	COVPDB214	CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCNC(=O)CI	1
37	N-[2-(bromoacetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide	COVPDB434	CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)CBr	1
38	N-[(2S)-2-{1-[(5E)-1-chloro-2-oxohept-5-en-3-yl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide	COVPDB890	C/C=C/C[C@H](C(=O)CCl)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2	1
39	N-acetyl-L-leucyl-L-phenylalanyl-N-[(1S,2R)-1-(2-carboxyethyl)-3-fluoro-2-oxopropyl]-L-phenylalaninamide	COVPDB639	CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)CF	1
40	N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-oxo-1-phenylbutan-2-yl]glycinamide	COVPDB1483	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	1
41	N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide	COVPDB638	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF	1
42	NCL-00025058	COVPDB1374	ClCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC=C	1
43	NCL-00025412	COVPDB1375	ClCC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	1
44	N-(iodoacetyl)-L-valyl-L-phenylalaninamide	COVPDB960	ICC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N)Cc1ccccc1	1
45	N,N′-dimethyl-N-(iodoacetyl)-N′-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine	COVPDB1477	ICC(=O)N(C)CCN(C)c1ccc([N+]([O-])=O)c(c12)non2	6
46	N,N'-ethane-1,2-diylbis(2-iodoacetamide)	COVPDB745	ICC(=O)NCCNC(=O)CI	1
47	p-bromophenacyl bromide	COVPDB1217	Brc1ccc(cc1)C(=O)CBr	5
48	PCM-0102121	COVPDB1365	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2	1
49	PCM-0102142	COVPDB1406	ClCC(=O)NNC(=O)c(s1)cc(c12)CCCC2	1
50	PCM-0102153	COVPDB970	ClCC(=O)NC(=O)OCc1ccccc1	1
51	PCM-0102169	COVPDB1362	ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1	1
52	PCM-0102179	COVPDB1361	ClCC(=O)Nc1cccc(c1)N2CCCC2=O	1
53	PCM-0102190	COVPDB1360	ClCC(=O)N[C@H](C)c1cccc(Cl)c1	1
54	PCM-0102201	COVPDB1338	Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
55	PCM-0102241	COVPDB1331	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	1
56	PCM-0102248	COVPDB1407	ClCC(=O)N1CCN(CC1)C(=O)c2ccco2	1
57	PCM-0102254	COVPDB1369	COc1ccc(cc1)N2CCN(CC2)C(=O)CCl	1
58	PCM-0102269	COVPDB1342	ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	1
59	PCM-0102274	COVPDB1371	ClCC(=O)Nc1cccnc1Cl	1
60	PCM-0102275	COVPDB1345	ClCC(=O)N[C@@H](C)c1cccc(c12)cccc2	1
61	PCM-0102277	COVPDB1352	ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1	1
62	PCM-0102281	COVPDB1340	Fc1ccccc1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
63	PCM-0102287	COVPDB1346	ClCC(=O)N1CCN(CC1)Cc2cccc(c23)cccc3	1
64	PCM-0102305	COVPDB973	Fc1ccc(cc1C)CNC(=O)CCl	1
65	PCM-0102306	COVPDB1367	ClCC(=O)N1CCN(CC1)C(=O)c2cccs2	1
66	PCM-0102327	COVPDB1332	Fc1cccc(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
67	PCM-0102340	COVPDB1334	Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1	1
68	PCM-0102353	COVPDB1353	Cc1ccc(C)c(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
69	PCM-0102372	COVPDB1351	O=S1(=O)C[C@H](C=C1)N(C(=O)CCl)c2ccccc2	1
70	PCM-0102389	COVPDB1356	Oc1ccccc1NC(=O)C2CCN(CC2)C(=O)CCl	1
71	PCM-0102395	COVPDB1343	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	1
72	PCM-0102425	COVPDB1336	ClCC(=O)N1CCC[C@H](C1)c(s2)nc(c23)cccc3	1
73	PCM-0102432	COVPDB1364	c1cccc(c12)[C@@H](CN(C2)C(=O)CCl)c3ccccc3	1
74	PCM-0102500	COVPDB974	Cc1cc(no1)NC(=O)CCl	1
75	PCM-0102535	COVPDB1372	CC(=O)N1CCN(CC1)C(=O)CCl	1
76	PCM-0102539	COVPDB1357	Cc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
77	PCM-0102575	COVPDB1355	ClCC(=O)N1CCC(CC1)NC(=O)c2ccccc2	1
78	PCM-0102578	COVPDB1337	ClCC(=O)NCc(c1)ccc(c12)OCO2	1
79	PCM-0102615	COVPDB1339	Fc1ccc(cc1)[C@H]2CN(CCO2)C(=O)CCl	1
80	PCM-0102628	COVPDB1408	Cc1ccc(c(C)c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
81	PCM-0102660	COVPDB979	Cc1ccc(cc1)/C=N/C(=O)CCl	1
82	PCM-0102704	COVPDB1350	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2	1
83	PCM-0102739	COVPDB1363	ClCC(=O)N1CCN(Cc2ccsc2)CC1	1
84	PCM-0102759	COVPDB1405	Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
85	PCM-0102821	COVPDB975	Cc1cccc(c1)/C=N/C(=O)CCl	1
86	PCM-0102868	COVPDB1358	Fc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
87	PCM-0102911	COVPDB1347	Cc1ccccc1CN1CCCN(CC1)C(=O)CCl	1
88	PCM-0102954	COVPDB982	ClCC(=O)NNC(=O)c1ccccc1Cl	1
89	PCM-0102962	COVPDB1404	Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)CCl	1
90	PCM-0102972	COVPDB1359	ClCC(=O)N1CCC(CC1)C(=O)N2CCCCC2	1
91	PCM-0102974	COVPDB1370	CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CCl	1
92	PCM-0102998	COVPDB978	ClCC(=O)NNC(=O)C[C@@H](CS1(=O)=O)CC1	1
93	PCM-0103007	COVPDB981	ClCC(=O)NCC#Cc1ccccc1	1
94	PCM-0103011	COVPDB976	FC(F)(F)c1cccc(c1)C#CCNC(=O)CCl	1
95	PCM-0103016	COVPDB1335	[O-][N+](=O)c1ccccc1N2CCN(CC2)C(=O)CCl	1
96	PCM-0103050	COVPDB972	ClCC(=O)NCc1cc(Br)cs1	1
97	PCM-0103067	COVPDB1354	COc1cccc(c12)sc(n2)NC(=O)CCl	1
98	PCM-0103072	COVPDB1344	ClCC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	1
99	PCM-0103080	COVPDB983	ClCC(=O)NCc1ccc(Cl)s1	1
100	PG-COV-34	COVPDB1426	c1ccccc1N(C)C(=O)C2CCN(CC2)C(=O)CCl	1
101	PG-COV-42	COVPDB1424	COc1ccc(cn1)NC(=O)C2CCN(CC2)C(=O)CCl	1
102	phenylalanyl chloromethylketone	COVPDB1222	ClCC(=O)[C@@H](N)Cc1ccccc1	2
103	PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE	COVPDB1474	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	1
104	Ru(bpy)2(A-Phen)(K97C)	COVPDB1290	[Ru++].C1=CN=C(C=C1)C1=CC=CC=N1.C1=CN=C(C=C1)C1=NC=CC=C1.ICC(=O)Nc1cc2C=CC=Nc2c2N=CC=Cc12	3
105	SML-8-73-1	COVPDB1484	Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O	1
106	Suc-Ala-Ala-Pro-Phe-chloromethylketone	COVPDB1011	C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	3
107	Suc-Val-Pro-LysP-(OPh)2	COVPDB20	C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CF)CCc2ccccc2	1
108	TLCK	COVPDB644	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	3
109	TNP-470	COVPDB1389	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@]2(C)O)[C@H](OC)[C@@H](CC2)OC(=O)NC(=O)CCl	3
110	WIN18,446	COVPDB660	ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl	1
111	Z147647874	COVPDB1368	ClCC(=O)N1CCN(Cc2cccs2)CC1	2
112	ZLLYCH2F	COVPDB600	Oc1ccc(cc1)C[C@@H](C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1