"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	O00481	"Butyrophilin subfamily 3 member A1 (CD antigen CD277)"	"Immunoglobulin superfamily, BTN/MOG family"	BTN3A1	11119;	"Homo sapiens (Human)"	3.26761	1
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.86879	2
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q8TDV5	"Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)"	"G-protein coupled receptor 1 family"	GPR119	139760;	"Homo sapiens (Human)"	2.7017	3
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	2.40019	4
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	2.28385	5
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P14867	"Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA1 sub-subfamily"	GABRA1	2554;	"Homo sapiens (Human)"	2.23934	6
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	7
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	2.1757	8
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	2.0981	9
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.08553	10
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P28074	"Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic endopeptidase complex epsilon chain) (Proteasome chain 6) (Proteasome epsilon chain) (Proteasome subunit MB1) (Proteasome subunit X)"	"Peptidase T1B family"	PSMB5	5693;	"Homo sapiens (Human)"	2.07854	11
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.99512	12
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P31644	"Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA5 sub-subfamily"	GABRA5	2558;	"Homo sapiens (Human)"	1.99248	13
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P22894	"Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)"	"Peptidase M10A family"	MMP8	4317;	"Homo sapiens (Human)"	1.8628	14
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P00918	"Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase C) (CAC) (Carbonic anhydrase II) (CA-II)"	"Alpha-carbonic anhydrase family"	CA2	760;	"Homo sapiens (Human)"	1.76627	15
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q9H244	"P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) (P2Y12 platelet ADP receptor) (P2Y(ADP)) (SP1999)"	"G-protein coupled receptor 1 family"	P2RY12	64805;	"Homo sapiens (Human)"	1.73252	16
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.67369	17
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P34913	"Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) (EC 3.3.2.10) (Epoxide hydratase) (Soluble epoxide hydrolase) (SEH); Lipid-phosphate phosphatase (EC 3.1.3.76)]"	"AB hydrolase superfamily, Epoxide hydrolase family"	EPHX2	2053;	"Homo sapiens (Human)"	1.608	18
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q9UBN7	"Histone deacetylase 6 (HD6) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 2 subfamily"	HDAC6	10013;	"Homo sapiens (Human)"	1.59747	19
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.54936	20
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	21
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P12821	"Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) (CD antigen CD143) [Cleaved into: Angiotensin-converting enzyme, soluble form]"	"Peptidase M2 family"	ACE	1636;	"Homo sapiens (Human)"	1.50307	22
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.50175	23
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P35372	"Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid receptor) (MOP) (hMOP)"	"G-protein coupled receptor 1 family"	OPRM1	4988;	"Homo sapiens (Human)"	1.34732	24
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q9UBY5	"Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid receptor Edg-7)"	"G-protein coupled receptor 1 family"	LPAR3	23566;	"Homo sapiens (Human)"	1.33738	25
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.33256	26
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P06276	"Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) (Pseudocholinesterase)"	"Type-B carboxylesterase/lipase family"	BCHE	590;	"Homo sapiens (Human)"	1.31731	27
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P23141	"Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) (Carboxylesterase 1) (CE-1) (hCE-1) (EC 3.1.1.1) (Cocaine carboxylesterase) (Egasyn) (HMSE) (Methylumbelliferyl-acetate deacetylase 1) (EC 3.1.1.56) (Monocyte/macrophage serine esterase) (Retinyl ester hydrolase) (REH) (Serine esterase 1) (Triacylglycerol hydrolase) (TGH)"	"Type-B carboxylesterase/lipase family"	CES1	1066;	"Homo sapiens (Human)"	1.30791	28
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P41231	"P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) (P2U receptor 1) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY2	5029;	"Homo sapiens (Human)"	1.29931	29
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P49356	"Protein farnesyltransferase subunit beta (FTase-beta) (EC 2.5.1.58) (CAAX farnesyltransferase subunit beta) (Ras proteins prenyltransferase subunit beta)"	"Protein prenyltransferase subunit beta family"	FNTB	100529261;2342;	"Homo sapiens (Human)"	1.26357	30
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P25101	"Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)"	"G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily"	EDNRA	1909;	"Homo sapiens (Human)"	1.23206	31
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.18348	32
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P00915	"Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase B) (CAB) (Carbonic anhydrase I) (CA-I)"	"Alpha-carbonic anhydrase family"	CA1	759;	"Homo sapiens (Human)"	1.15277	33
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P29371	"Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin receptor 3)"	"G-protein coupled receptor 1 family"	TACR3	6870;	"Homo sapiens (Human)"	1.14398	34
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P08235	"Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member 2)"	"Nuclear hormone receptor family, NR3 subfamily"	NR3C2	4306;	"Homo sapiens (Human)"	1.13113	35
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.09382	36
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P25774	"Cathepsin S (EC 3.4.22.27)"	"Peptidase C1 family"	CTSS	1520;	"Homo sapiens (Human)"	1.07997	37
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.0684	38
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P28845	"Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) (11-beta-HSD1) (Short chain dehydrogenase/reductase family 26C member 1)"	"Short-chain dehydrogenases/reductases (SDR) family"	HSD11B1	3290;	"Homo sapiens (Human)"	1.06656	39
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.06181	40
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q13304	"Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)"	"G-protein coupled receptor 1 family"	GPR17	2840;	"Homo sapiens (Human)"	1.01509	41
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	0.998675	42
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	O00748	"Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) (Methylumbelliferyl-acetate deacetylase 2) (EC 3.1.1.56)"	"Type-B carboxylesterase/lipase family"	CES2	8824;	"Homo sapiens (Human)"	0.983282	43
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P50281	"Matrix metalloproteinase-14 (MMP-14) (EC 3.4.24.80) (MMP-X1) (Membrane-type matrix metalloproteinase 1) (MT-MMP 1) (MTMMP1) (Membrane-type-1 matrix metalloproteinase) (MT1-MMP) (MT1MMP)"	"Peptidase M10A family"	MMP14	4323;	"Homo sapiens (Human)"	0.979808	44
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P34903	"Gamma-aminobutyric acid receptor subunit alpha-3 (GABA(A) receptor subunit alpha-3)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA3 sub-subfamily"	GABRA3	2556;	"Homo sapiens (Human)"	0.952089	45
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P47869	"Gamma-aminobutyric acid receptor subunit alpha-2 (GABA(A) receptor subunit alpha-2)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA2 sub-subfamily"	GABRA2	2555;	"Homo sapiens (Human)"	0.945053	46
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q99527	"G-protein coupled estrogen receptor 1 (Chemoattractant receptor-like 2) (Flow-induced endothelial G-protein coupled receptor 1) (FEG-1) (G protein-coupled estrogen receptor 1) (G-protein coupled receptor 30) (GPCR-Br) (IL8-related receptor DRY12) (Lymphocyte-derived G-protein coupled receptor) (LYGPR) (Membrane estrogen receptor) (mER)"	"G-protein coupled receptor 1 family"	GPER1	2852;	"Homo sapiens (Human)"	0.943704	47
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	Q99720	"Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding protein) (SR-BP) (Sigma 1-type opioid receptor) (SIG-1R) (Sigma1-receptor) (Sigma1R) (hSigmaR1)"	"ERG2 family"	SIGMAR1	10280;	"Homo sapiens (Human)"	0.941805	48
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P04150	"Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	NR3C1	2908;	"Homo sapiens (Human)"	0.93353	49
1	Untitled	CCOP(=S)(OCC)SCSC(C)(C)C	CCOP(=S)(SCSC(C)(C)C)OCC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	0.929601	50