"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	3.2515	1
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P08311	"Cathepsin G (CG) (EC 3.4.21.20)"	"Peptidase S1 family"	CTSG	1511;	"Homo sapiens (Human)"	2.60651	2
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	2.38573	3
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.23324	4
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P07384	"Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP 1) (Calpain mu-type) (Calpain-1 large subunit) (Cell proliferation-inducing gene 30 protein) (Micromolar-calpain) (muCANP)"	"Peptidase C2 family"	CAPN1	823;	"Homo sapiens (Human)"	2.217	5
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P16233	"Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)"	"AB hydrolase superfamily, Lipase family"	PNLIP	5406;	"Homo sapiens (Human)"	2.20891	6
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.19577	7
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.95255	8
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	1.78568	9
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9HBW0	"Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid receptor Edg-4)"	"G-protein coupled receptor 1 family"	LPAR2	9170;	"Homo sapiens (Human)"	1.7589	10
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.70943	11
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9HBX9	"Relaxin receptor 1 (Leucine-rich repeat-containing G-protein coupled receptor 7) (Relaxin family peptide receptor 1)"	"G-protein coupled receptor 1 family"	RXFP1	59350;	"Homo sapiens (Human)"	1.68852	12
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P47901	"Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone receptor 1b) (Vasopressin V3 receptor)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	AVPR1B	553;	"Homo sapiens (Human)"	1.68571	13
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.67369	14
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P31749	"RAC-alpha serine/threonine-protein kinase (EC 2.7.11.1) (Protein kinase B) (PKB) (Protein kinase B alpha) (PKB alpha) (Proto-oncogene c-Akt) (RAC-PK-alpha)"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, RAC subfamily"	AKT1	207;	"Homo sapiens (Human)"	1.63699	15
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P04035	"3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)"	"HMG-CoA reductase family"	HMGCR	3156;	"Homo sapiens (Human)"	1.61953	16
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9Y2T6	"G-protein coupled receptor 55"	"G-protein coupled receptor 1 family"	GPR55	9290;	"Homo sapiens (Human)"	1.60584	17
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.58624	18
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	1.55918	19
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.51704	20
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.50686	21
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.49984	22
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	O75388	"Probable G-protein coupled receptor 32"	"G-protein coupled receptor 1 family"	GPR32	2854;	"Homo sapiens (Human)"	1.48964	23
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.46824	24
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.46292	25
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.42645	26
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q8WXD0	"Relaxin receptor 2 (G-protein coupled receptor 106) (G-protein coupled receptor affecting testicular descent) (Leucine-rich repeat-containing G-protein coupled receptor 8) (Relaxin family peptide receptor 2)"	"G-protein coupled receptor 1 family"	RXFP2	122042;	"Homo sapiens (Human)"	1.39476	27
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.37186	28
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.32166	29
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q13822	"Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) (Extracellular lysophospholipase D) (LysoPLD)"	"Nucleotide pyrophosphatase/phosphodiesterase family"	ENPP2	5168;	"Homo sapiens (Human)"	1.30094	30
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.29434	31
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.25462	32
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q13285	"Steroidogenic factor 1 (SF-1) (STF-1) (hSF-1) (Adrenal 4-binding protein) (Fushi tarazu factor homolog 1) (Nuclear receptor subfamily 5 group A member 1) (Steroid hormone receptor Ad4BP)"	"Nuclear hormone receptor family, NR5 subfamily"	NR5A1	2516;	"Homo sapiens (Human)"	1.22657	33
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q01668	"Voltage-dependent L-type calcium channel subunit alpha-1D (Calcium channel, L type, alpha-1 polypeptide, isoform 2) (Voltage-gated calcium channel subunit alpha Cav1.3)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1D subfamily"	CACNA1D	776;	"Homo sapiens (Human)"	1.2126	34
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.19122	35
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q9ULY5	"C-type lectin domain family 4 member E (C-type lectin superfamily member 9) (Macrophage-inducible C-type lectin) (MINCLE)"		CLEC4E	26253;	"Homo sapiens (Human)"	1.19053	36
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	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)"	1.18386	37
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.14599	38
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.14258	39
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P43681	"Neuronal acetylcholine receptor subunit alpha-4"	"Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) subfamily, Alpha-4/CHRNA4 sub-subfamily"	CHRNA4	1137;	"Homo sapiens (Human)"	1.1233	40
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P08173	"Muscarinic acetylcholine receptor M4"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 sub-subfamily"	CHRM4	1132;	"Homo sapiens (Human)"	1.10028	41
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q8NER1	"Transient receptor potential cation channel subfamily V member 1 (TrpV1) (Capsaicin receptor) (Osm-9-like TRP channel 1) (OTRPC1) (Vanilloid receptor 1)"	"Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily"	TRPV1	7442;	"Homo sapiens (Human)"	1.0819	42
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.07197	43
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P43088	"Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)"	"G-protein coupled receptor 1 family"	PTGFR	5737;	"Homo sapiens (Human)"	1.06959	44
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P29466	"Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting enzyme) (ICE) (IL-1 beta-converting enzyme) (p45) [Cleaved into: Caspase-1 subunit p20; Caspase-1 subunit p10]"	"Peptidase C14A family"	CASP1	834;	"Homo sapiens (Human)"	1.06055	45
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.0497	46
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.04313	47
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.04031	48
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	1.03113	49
1	Untitled	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	P25090	"N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide receptor-like 1) (HM63) (Lipoxin A4 receptor) (LXA4 receptor) (RFP)"	"G-protein coupled receptor 1 family"	FPR2	2358;	"Homo sapiens (Human)"	1.02758	50