"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)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	2.91238	1
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P00748	"Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: Coagulation factor XIIa heavy chain; Beta-factor XIIa part 1; Coagulation factor XIIa light chain (Beta-factor XIIa part 2)]"	"Peptidase S1 family"	F12	2161;	"Homo sapiens (Human)"	2.35816	2
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P25774	"Cathepsin S (EC 3.4.22.27)"	"Peptidase C1 family"	CTSS	1520;	"Homo sapiens (Human)"	2.33891	3
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	4
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.19258	5
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	2.1798	6
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	1.9341	7
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q02127	"Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)"	"Dihydroorotate dehydrogenase family, Type 2 subfamily"	DHODH	1723;	"Homo sapiens (Human)"	1.91881	8
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.87533	9
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.73505	10
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.70734	11
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.67048	12
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	1.66576	13
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.54542	14
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.54172	15
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P28223	"5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)"	"G-protein coupled receptor 1 family"	HTR2A	3356;	"Homo sapiens (Human)"	1.5272	16
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P19099	"Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC 1.14.15.5) (Aldosterone-synthesizing enzyme) (CYPXIB2) (Cytochrome P-450Aldo) (Cytochrome P-450C18) (Steroid 18-hydroxylase)"	"Cytochrome P450 family"	CYP11B2	1585;	"Homo sapiens (Human)"	1.52688	17
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	18
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.50811	19
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.48745	20
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P15538	"Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid 11-beta-hydroxylase) (EC 1.14.15.4)"	"Cytochrome P450 family"	CYP11B1	1584;	"Homo sapiens (Human)"	1.48592	21
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.43689	22
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.42171	23
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.40999	24
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.37817	25
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.3575	26
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.35612	27
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.347	28
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.34255	29
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.27314	30
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q9H228	"Sphingosine 1-phosphate receptor 5 (S1P receptor 5) (S1P5) (Endothelial differentiation G-protein-coupled receptor 8) (Sphingosine 1-phosphate receptor Edg-8) (S1P receptor Edg-8)"	"G-protein coupled receptor 1 family"	S1PR5	53637;	"Homo sapiens (Human)"	1.26291	31
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.25581	32
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.24687	33
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.20577	34
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P51681	"C-C chemokine receptor type 5 (C-C CKR-5) (CC-CKR-5) (CCR-5) (CCR5) (CHEMR13) (HIV-1 fusion coreceptor) (CD antigen CD195)"	"G-protein coupled receptor 1 family"	CCR5	1234;	"Homo sapiens (Human)"	1.18055	35
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P21397	"Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) (MAO-A)"	"Flavin monoamine oxidase family"	MAOA	4128;	"Homo sapiens (Human)"	1.1372	36
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q01959	"Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 member 3)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily"	SLC6A3	6531;	"Homo sapiens (Human)"	1.13521	37
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q92731	"Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A member 2)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR2	2100;	"Homo sapiens (Human)"	1.11675	38
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.11072	39
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P31645	"Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family 6 member 4)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily"	SLC6A4	6532;	"Homo sapiens (Human)"	1.10047	40
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	1.07316	41
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P37231	"Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group C member 3)"	"Nuclear hormone receptor family, NR1 subfamily"	PPARG	5468;	"Homo sapiens (Human)"	1.06504	42
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	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)"	1.05165	43
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.04528	44
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q16539	"Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC 2.7.11.24) (Cytokine suppressive anti-inflammatory drug-binding protein) (CSAID-binding protein) (CSBP) (MAP kinase MXI2) (MAX-interacting protein 2) (Mitogen-activated protein kinase p38 alpha) (MAP kinase p38 alpha) (Stress-activated protein kinase 2a) (SAPK2a)"	"Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase subfamily"	MAPK14	1432;	"Homo sapiens (Human)"	1.04393	45
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.04329	46
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P35228	"Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible NO synthase) (Inducible NOS) (iNOS) (NOS type II) (Peptidyl-cysteine S-nitrosylase NOS2)"	"NOS family"	NOS2	4843;	"Homo sapiens (Human)"	1.03859	47
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)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)"	1.03525	48
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	Q99500	"Sphingosine 1-phosphate receptor 3 (S1P receptor 3) (S1P3) (Endothelial differentiation G-protein coupled receptor 3) (Sphingosine 1-phosphate receptor Edg-3) (S1P receptor Edg-3)"	"G-protein coupled receptor 1 family"	S1PR3	1903;	"Homo sapiens (Human)"	1.01013	49
1	Untitled	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	P08912	"Muscarinic acetylcholine receptor M5"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 sub-subfamily"	CHRM5	1133;	"Homo sapiens (Human)"	0.994899	50