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	1,5-IAENS	COVPDB485	OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12	2
3	[(1S,2S,3R,5S)-5-carboxy-1,2,3-trihydroxycyclohexyl]methanaminium	COVPDB1054	[NH3+]C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O	2
4	{[(1S,2S,3R,5S)-5-carboxy-1,2,3-trihydroxycyclohexyl]methyl}(hydroxy)azanium	COVPDB816	O[NH2+]C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O	2
5	(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide	COVPDB969	c1ccccc1[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	1
6	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
7	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
8	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
9	2,3-Dihexanoyl-sn-glycerol	COVPDB192	CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC	2
10	[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (1~{S},5~{R})-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate	COVPDB735	Fc1ccc(cc1)-n2ccc(n2)[C@H]3[C@@H]([C@@H]34)CN(C4)C(=O)ON5C(=O)CCC5=O	1
11	2-bromoacetophenone	COVPDB479	BrCC(=O)c1ccccc1	1
12	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
13	2-chloro-1-(1H-indol-3-yl)ethanone	COVPDB168	c1cccc(c12)[nH]cc2C(=O)CCl	1
14	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
15	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide	COVPDB1475	ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2	1
16	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
17	2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide	COVPDB1195	CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	1
18	2'-Cl-araNAD+	COVPDB1286	NC(=O)c1cc[n+](cc1)[C@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H]1Cl	1
19	2F-DNPX	COVPDB692	O[C@@H]1CO[C@@H]([C@H](F)[C@H]1O)Oc2c([N+]([O-])=O)cc([N+]([O-])=O)cc2	1
20	(2S)-2-amino-N-(4-bromobutyl)propanamide	COVPDB1421	C[C@H](N)C(=O)NCCCCBr	1
21	(2S)-2-amino-N-(5-bromopentyl)propanamide	COVPDB262	C[C@H](N)C(=O)NCCCCCBr	1
22	(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
23	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
24	3‐chlorophenyl 6‐(chloromethyl)coumarin‐3‐carboxylate	COVPDB1062	ClCc(cc1)cc(c12)cc(c(o2)=O)C(=O)Oc3cccc(Cl)c3	2
25	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
26	3-hydroxy-6-(hydroxymethyl)-2-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4H-pyran-4-one	COVPDB995	OCc1cc(=O)c(O)c(o1)[C@@H](c2ccsc2)Nc3ncccc3	1
27	(3R)-3-[2-(acetylsulfanyl)acetamido]-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB61	CC(=O)SCC(=O)N[C@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	2
28	(3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate	COVPDB1433	COc1cccc(c12)[nH]c(c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c4ccccc4C#N	3
29	(3S)-3-{4-[(2S)-3-methyl-2-{[(quinolin-6-yl)methyl]amino}butan-2-yl]-1H-1,2,3-triazol-1-yl}-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one	COVPDB1026	Fc1c(F)cc(F)c(F)c1OCC(=O)[C@H](CCCC)n2cc(nn2)[C@](C)(C(C)C)NCc(c3)ccc(c34)nccc4	1
30	(3S)-3-{[(5S,10aS)-2-[(2S)-4-carboxy-2-(2-phenylacetamido)butyl]-1,3-dioxo-1H,2H,3H,5H,7H,8H,9H,10H,10aH-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB538	OC(=O)CC[C@@H](Cn1c(=O)n2[C@H]3CCCCC3=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O)NC(=O)Cc1ccccc1	1
31	(3S)-3-{[(5S)-2-{2-[(1H-1,3-benzodiazol-5-yl)formamido]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB539	OC(=O)C[C@H](NC(=O)[C@@H]1C=C(CC2CCCCC2)Cn2n1c(=O)n(CCNC(=O)c1ccc3[nH]cnc3c1)c2=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
32	(3S)-3-{[(5S,8R)-2-(3-carboxypropyl)-8-{2-[2-(4-chlorophenyl)acetamido]ethyl}-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB540	OC(=O)CCCn1c(=O)n2[C@H](CCNC(=O)Cc3ccc(Cl)cc3)C=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O	1
33	(3S)-5-(2,6-dichlorobenzoyloxy)-3-{3-[({2-[(5-methanesulfonylthiophen-2-yl)formamido]ethyl}disulfanyl)methyl]benzenesulfonamido}-4-oxopentanoic acid	COVPDB62	CS(=O)(=O)c1ccc(s1)C(=O)NCCSSCc1cccc(c1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
34	4-chloromethylimidazole	COVPDB235	ClCc1c[nH]cn1	1
35	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
36	4-oxo-3-[6-({4-[(quinoxalin-2-yl)amino]phenyl}formamido)-2-(thiophen-2-yl)hexanamido]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid	COVPDB584	OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F	1
37	5-{[(4-{[(2S)-1-carboxy-4-(2,6-dichlorobenzoyloxy)-3-oxobutan-2-yl]carbamoyl}phenyl)methyl]sulfamoyl}-2-hydroxybenzoic acid	COVPDB63	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C([O-])=O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
38	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
39	5-CHLORO-4-OXOPENTANOIC ACID	COVPDB1397	ClCC(=O)CCC(=O)[O-]	1
40	5-Chloromethyl-5'-methyl-2,2'-bipyridine	COVPDB756	Cc1cnc(cc1)-c2ncc(CCl)cc2	3
41	({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
42	5-Iodoaceamido-1,10-phenanthroline	COVPDB1246	ICC(=O)Nc1cc(cccn2)c2c(c13)nccc3	1
43	6-(bromomethyl)-5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid	COVPDB1309	OC(=O)c1cc(=O)c(O)c(CBr)o1	1
44	6-diazo-5-oxo-l-norleucine	COVPDB410	N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O	12
45	7-{[(4-methoxyphenyl)amino](pyridin-2-yl)methyl}quinolin-8-ol	COVPDB21	COc1ccc(cc1)N[C@H](c2ncccc2)c(c3O)ccc(c34)cccn4	1
46	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
47	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
48	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
49	Ac-GSL-AOMK	COVPDB289	CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)COC(=O)c1c(C)cccc1C	1
50	ACIVICIN	COVPDB509	N[C@@H]([C@@H]1CC(Cl)=NO1)C(O)=O	4
51	Ac-VLTK-AOMK	COVPDB643	CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)COC(=O)c1c(C)cccc1C	2
52	AFM-30a	COVPDB397	COc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12	1
53	alpha-D-glucose	COVPDB1515	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	4
54	ALPHA-DIFLUOROMETHYLORNITHINE	COVPDB709	NCCC[C@@](N)(C(F)F)C(O)=O	1
55	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
56	BB-F-amidine	COVPDB398	FCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1	1
57	BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE	COVPDB1506	C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)CF	1
58	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
59	beta-D-glucose	COVPDB560	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	15
60	beta-D-mannose	COVPDB572	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O1)O	2
61	biapenem	COVPDB1517	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3CN4C=NC=[N+]4C3)=C(N2C1=O)C(O)=O	1
62	Boc-ALA2-ALA1-NHO-Nb	COVPDB543	CC(C)(C)OC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NOC(=O)c1ccc([N+]([O-])=O)cc1	2
63	C1-31	COVPDB227	CCSCOc1ccc(cc1NC(=O)CCl)S(=O)(=O)N2CCCCCC2	1
64	CAS329306	COVPDB1396	Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)CCl)Cc2ccccc2	1
65	CFT	COVPDB792	Fc1ccc(cc1)-c2csc(c23)nc(CCl)[nH]c3=O	1
66	Cl-amidine	COVPDB553	NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1	1
67	CMK pantoamide	COVPDB1400	OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)CCl	1
68	D-fructose	COVPDB812	O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO	2
69	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
70	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
71	FFRCK	COVPDB887	N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	1
72	FOBISIN101	COVPDB195	Cc1nc(\N=N\c2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O	1
73	FOR-LEU-ARG-SER-4AR	COVPDB220	CC(C)C[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C	1
74	H-diaziflurane	COVPDB688	FC(F)(F)COC(F)(F)F	1
75	JLJ686	COVPDB440	N#Cc(c1)ccc(c12)c(N(C)C(=O)CCl)cc(c2C)Oc3c(cccc3)OCCn4ccc(=O)[nH]c4=O	2
76	KK094	COVPDB1038	c1cccc(c12)N(CC2)C(=O)n3ccnn3	1
77	ML175	COVPDB1097	O=[N+]([O-])c1ccc(cc1)N(C(=O)CCl)CCCNC(=O)C(F)(F)F	1
78	monobromobimane	COVPDB458	Cc1c(C)c(=O)n(n12)c(=O)c(C)c2CBr	1
79	N1-[(1S)-4-(carbamoylamino)-1-cyanobutyl]-N'1-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide	COVPDB599	c1cscc1[C@@H](C)NC(=O)C2(CCC2)C(=O)N[C@H](C#N)CCCNC(=O)N	1
80	N-(1-Pyrenyl)iodoacetamide	COVPDB91	c1ccc(c2c13)ccc4c2c(cc3)c(cc4)NC(=O)CI	1
81	N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide	COVPDB100	NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=[N-]	1
82	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
83	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
84	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
85	N‐(4‐(3‐Bromo‐4,5‐dihydroisoxazol‐5‐yl)phenyl)acetamide	COVPDB678	CC(=O)Nc1ccc(cc1)[C@H]2CC(Br)=NO2	1
86	N5-(1-imino-2-chloroethyl)-L-lysine	COVPDB848	N[C@@H](CCCCNC(=N)CCl)C(O)=O	1
87	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
88	NAD⁺	COVPDB505	NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O	2
89	N-[(benzyloxy)carbonyl]-6-diazonio-5-oxo-L-norleucyl-L-valyl-L-prolyl-L-leucine	COVPDB5	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OCc1ccccc1)C(C)C)C(O)=O	1
90	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
91	NCL-00025058	COVPDB1374	ClCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC=C	1
92	NCL-00025412	COVPDB1375	ClCC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	1
93	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
94	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
95	N,N'-ethane-1,2-diylbis(2-iodoacetamide)	COVPDB745	ICC(=O)NCCNC(=O)CI	1
96	N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-0-benzoylhydroxylamine	COVPDB14	CC(C)(C)OC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NOC(=O)c3ccccc3	1
97	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
98	p-bromophenacyl bromide	COVPDB1217	Brc1ccc(cc1)C(=O)CBr	5
99	PCM-0102121	COVPDB1365	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2	1
100	PCM-0102142	COVPDB1406	ClCC(=O)NNC(=O)c(s1)cc(c12)CCCC2	1
101	PCM-0102153	COVPDB970	ClCC(=O)NC(=O)OCc1ccccc1	1
102	PCM-0102169	COVPDB1362	ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1	1
103	PCM-0102179	COVPDB1361	ClCC(=O)Nc1cccc(c1)N2CCCC2=O	1
104	PCM-0102190	COVPDB1360	ClCC(=O)N[C@H](C)c1cccc(Cl)c1	1
105	PCM-0102201	COVPDB1338	Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
106	PCM-0102241	COVPDB1331	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	1
107	PCM-0102248	COVPDB1407	ClCC(=O)N1CCN(CC1)C(=O)c2ccco2	1
108	PCM-0102254	COVPDB1369	COc1ccc(cc1)N2CCN(CC2)C(=O)CCl	1
109	PCM-0102269	COVPDB1342	ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	1
110	PCM-0102274	COVPDB1371	ClCC(=O)Nc1cccnc1Cl	1
111	PCM-0102275	COVPDB1345	ClCC(=O)N[C@@H](C)c1cccc(c12)cccc2	1
112	PCM-0102277	COVPDB1352	ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1	1
113	PCM-0102281	COVPDB1340	Fc1ccccc1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
114	PCM-0102287	COVPDB1346	ClCC(=O)N1CCN(CC1)Cc2cccc(c23)cccc3	1
115	PCM-0102305	COVPDB973	Fc1ccc(cc1C)CNC(=O)CCl	1
116	PCM-0102306	COVPDB1367	ClCC(=O)N1CCN(CC1)C(=O)c2cccs2	1
117	PCM-0102327	COVPDB1332	Fc1cccc(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
118	PCM-0102340	COVPDB1334	Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1	1
119	PCM-0102353	COVPDB1353	Cc1ccc(C)c(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
120	PCM-0102372	COVPDB1351	O=S1(=O)C[C@H](C=C1)N(C(=O)CCl)c2ccccc2	1
121	PCM-0102389	COVPDB1356	Oc1ccccc1NC(=O)C2CCN(CC2)C(=O)CCl	1
122	PCM-0102395	COVPDB1343	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	1
123	PCM-0102425	COVPDB1336	ClCC(=O)N1CCC[C@H](C1)c(s2)nc(c23)cccc3	1
124	PCM-0102432	COVPDB1364	c1cccc(c12)[C@@H](CN(C2)C(=O)CCl)c3ccccc3	1
125	PCM-0102500	COVPDB974	Cc1cc(no1)NC(=O)CCl	1
126	PCM-0102535	COVPDB1372	CC(=O)N1CCN(CC1)C(=O)CCl	1
127	PCM-0102539	COVPDB1357	Cc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
128	PCM-0102575	COVPDB1355	ClCC(=O)N1CCC(CC1)NC(=O)c2ccccc2	1
129	PCM-0102578	COVPDB1337	ClCC(=O)NCc(c1)ccc(c12)OCO2	1
130	PCM-0102615	COVPDB1339	Fc1ccc(cc1)[C@H]2CN(CCO2)C(=O)CCl	1
131	PCM-0102628	COVPDB1408	Cc1ccc(c(C)c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
132	PCM-0102660	COVPDB979	Cc1ccc(cc1)/C=N/C(=O)CCl	1
133	PCM-0102704	COVPDB1350	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2	1
134	PCM-0102739	COVPDB1363	ClCC(=O)N1CCN(Cc2ccsc2)CC1	1
135	PCM-0102759	COVPDB1405	Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
136	PCM-0102821	COVPDB975	Cc1cccc(c1)/C=N/C(=O)CCl	1
137	PCM-0102868	COVPDB1358	Fc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
138	PCM-0102911	COVPDB1347	Cc1ccccc1CN1CCCN(CC1)C(=O)CCl	1
139	PCM-0102954	COVPDB982	ClCC(=O)NNC(=O)c1ccccc1Cl	1
140	PCM-0102962	COVPDB1404	Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)CCl	1
141	PCM-0102972	COVPDB1359	ClCC(=O)N1CCC(CC1)C(=O)N2CCCCC2	1
142	PCM-0102974	COVPDB1370	CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CCl	1
143	PCM-0102998	COVPDB978	ClCC(=O)NNC(=O)C[C@@H](CS1(=O)=O)CC1	1
144	PCM-0103007	COVPDB981	ClCC(=O)NCC#Cc1ccccc1	1
145	PCM-0103011	COVPDB976	FC(F)(F)c1cccc(c1)C#CCNC(=O)CCl	1
146	PCM-0103016	COVPDB1335	[O-][N+](=O)c1ccccc1N2CCN(CC2)C(=O)CCl	1
147	PCM-0103050	COVPDB972	ClCC(=O)NCc1cc(Br)cs1	1
148	PCM-0103067	COVPDB1354	COc1cccc(c12)sc(n2)NC(=O)CCl	1
149	PCM-0103072	COVPDB1344	ClCC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	1
150	PCM-0103080	COVPDB983	ClCC(=O)NCc1ccc(Cl)s1	1
151	PG-COV-34	COVPDB1426	c1ccccc1N(C)C(=O)C2CCN(CC2)C(=O)CCl	1
152	PG-COV-42	COVPDB1424	COc1ccc(cn1)NC(=O)C2CCN(CC2)C(=O)CCl	1
153	phenylalanyl chloromethylketone	COVPDB1222	ClCC(=O)[C@@H](N)Cc1ccccc1	2
154	PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE	COVPDB1474	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	1
155	RDR03785	COVPDB311	O1COc(c12)cc(O)c(c2)[C@H](N3CCOCC3)c4ccc(C(F)(F)F)cc4	1
156	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
157	SigA peptide	COVPDB919	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O	1
158	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
159	SNAP-Vista Green™ reagent	COVPDB771	Nc1nc(OCc2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c2nc[nH]c2n1	1
160	(S)-Phosphostim	COVPDB1299	BrC[C@@](C)(O)CCOP(=O)([O-])OP(=O)([O-])[O-]	1
161	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
162	TLCK	COVPDB644	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	3
163	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
164	WIN18,446	COVPDB660	ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl	1
165	Z147647874	COVPDB1368	ClCC(=O)N1CCN(Cc2cccs2)CC1	2
166	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
167	Z-Phe-Tyr(t-Bu)-diazomethylketone	COVPDB927	CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	1