"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)S	CCOP(=S)(OCC)S	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)"	2.90386	1
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	2.62917	2
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9UBL9	"P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX2	22953;	"Homo sapiens (Human)"	2.44221	3
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	O43570	"Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase XII) (CA-XII) (Tumor antigen HOM-RCC-3.1.3)"	"Alpha-carbonic anhydrase family"	CA12	771;	"Homo sapiens (Human)"	2.43173	4
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P51149	"Ras-related protein Rab-7a"	"Small GTPase superfamily, Rab family"	RAB7A	7879;	"Homo sapiens (Human)"	2.34751	5
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	6
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	2.21605	7
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q16790	"Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase IX) (CA-IX) (CAIX) (Membrane antigen MN) (P54/58N) (Renal cell carcinoma-associated antigen G250) (RCC-associated antigen G250) (pMW1)"	"Alpha-carbonic anhydrase family"	CA9	768;	"Homo sapiens (Human)"	2.17706	8
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P47900	"P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY1	5028;	"Homo sapiens (Human)"	2.17572	9
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	2.04174	10
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9H1C0	"Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled receptor 92) (G-protein coupled receptor 93)"	"G-protein coupled receptor 1 family"	LPAR5	57121;	"Homo sapiens (Human)"	1.91948	11
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.84719	12
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9BXC1	"Probable G-protein coupled receptor 174"	"G-protein coupled receptor 1 family"	GPR174	84636;	"Homo sapiens (Human)"	1.79238	13
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	1.7354	14
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	1.69725	15
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	1.69501	16
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P56373	"P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX3	5024;	"Homo sapiens (Human)"	1.68328	17
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9Y2T6	"G-protein coupled receptor 55"	"G-protein coupled receptor 1 family"	GPR55	9290;	"Homo sapiens (Human)"	1.58482	18
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P53602	"Diphosphomevalonate decarboxylase (EC 4.1.1.33) (Mevalonate (diphospho)decarboxylase) (MDDase) (Mevalonate pyrophosphate decarboxylase)"	"Diphosphomevalonate decarboxylase family"	MVD	4597;	"Homo sapiens (Human)"	1.53658	19
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9UPC5	"Probable G-protein coupled receptor 34"	"G-protein coupled receptor 1 family"	GPR34	2857;	"Homo sapiens (Human)"	1.48173	20
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P51575	"P2X purinoceptor 1 (P2X1) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX1	5023;	"Homo sapiens (Human)"	1.46417	21
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q86WV6	"Stimulator of interferon genes protein (hSTING) (Endoplasmic reticulum interferon stimulator) (ERIS) (Mediator of IRF3 activation) (hMITA) (Transmembrane protein 173)"	"TMEM173 family"	TMEM173	340061;	"Homo sapiens (Human)"	1.41935	22
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	O95749	"Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Farnesyltranstransferase) (EC 2.5.1.29) (Geranylgeranyl diphosphate synthase) (Geranyltranstransferase) (EC 2.5.1.10)"	"FPP/GGPP synthase family"	GGPS1	9453;	"Homo sapiens (Human)"	1.41169	23
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P20839	"Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) (EC 1.1.1.205) (IMPDH-I)"	"IMPDH/GMPR family"	IMPDH1	3614;	"Homo sapiens (Human)"	1.37469	24
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.27402	25
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.25405	26
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	1.24147	27
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.17234	28
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P43166	"Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase VII) (CA-VII)"	"Alpha-carbonic anhydrase family"	CA7	766;	"Homo sapiens (Human)"	1.16469	29
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q8NET8	"Transient receptor potential cation channel subfamily V member 3 (TrpV3) (Vanilloid receptor-like 3) (VRL-3)"	"Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV3 sub-subfamily"	TRPV3	162514;	"Homo sapiens (Human)"	1.15397	30
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	1.1499	31
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.10795	32
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.08991	33
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.0839	34
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q5R387	"Putative inactive group IIC secretory phospholipase A2 (Phosphatidylcholine 2-acylhydrolase-like protein GIIC)"	"Phospholipase A2 family"	PLA2G2C		"Homo sapiens (Human)"	1	35
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P21728	"D(1A) dopamine receptor (Dopamine D1 receptor)"	"G-protein coupled receptor 1 family"	DRD1	1812;	"Homo sapiens (Human)"	0.941275	36
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.933551	37
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	0.887525	38
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	0.880146	39
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P12268	"Inosine-5'-monophosphate dehydrogenase 2 (IMP dehydrogenase 2) (IMPD 2) (IMPDH 2) (EC 1.1.1.205) (IMPDH-II)"	"IMPDH/GMPR family"	IMPDH2	3615;	"Homo sapiens (Human)"	0.866466	40
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q92633	"Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid receptor Edg-2)"	"G-protein coupled receptor 1 family"	LPAR1	1902;	"Homo sapiens (Human)"	0.852049	41
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P22748	"Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase IV) (CA-IV)"	"Alpha-carbonic anhydrase family"	CA4	762;	"Homo sapiens (Human)"	0.835985	42
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	O15554	"Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) (SKCa4) (IKCa1) (IK1) (KCa3.1) (KCa4) (Putative Gardos channel)"	"Potassium channel KCNN family, KCa3.1/KCNN4 subfamily"	KCNN4	3783;	"Homo sapiens (Human)"	0.822362	43
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	0.817535	44
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	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)"	0.810145	45
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P14324	"Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Geranyltranstransferase)"	"FPP/GGPP synthase family"	FDPS	2224;	"Homo sapiens (Human)"	0.803494	46
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	0.776356	47
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	0.757609	48
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P52732	"Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) (Kinesin-related motor protein Eg5) (Thyroid receptor-interacting protein 5) (TR-interacting protein 5) (TRIP-5)"	"TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily"	KIF11	3832;	"Homo sapiens (Human)"	0.739066	49
1	Untitled	CCOP(=S)(OCC)S	CCOP(=S)(OCC)S	P0DMV8	"Heat shock 70 kDa protein 1A (Heat shock 70 kDa protein 1) (HSP70-1) (HSP70.1)"	"Heat shock protein 70 family"	HSPA1A	3303;3304;	"Homo sapiens (Human)"	0.729813	50