"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.57287	1
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	2.25513	2
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	3
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.13259	4
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.96652	5
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.89544	6
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.89416	7
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.84939	8
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.78445	9
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P08588	"Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily"	ADRB1	153;	"Homo sapiens (Human)"	1.77171	10
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.76501	11
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.69904	12
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.69304	13
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.64863	14
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.63491	15
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P08908	"5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)"	"G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily"	HTR1A	3350;	"Homo sapiens (Human)"	1.62431	16
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P35348	"Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) (Alpha-adrenergic receptor 1c)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily"	ADRA1A	148;	"Homo sapiens (Human)"	1.55392	17
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.55002	18
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	19
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.51575	20
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.51528	21
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.49757	22
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.48426	23
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P42574	"Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein Yama) (SREBP cleavage activity 1) (SCA-1) [Cleaved into: Caspase-3 subunit p17; Caspase-3 subunit p12]"	"Peptidase C14A family"	CASP3	836;	"Homo sapiens (Human)"	1.48035	24
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.46976	25
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P07550	"Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily"	ADRB2	154;	"Homo sapiens (Human)"	1.45788	26
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.44566	27
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.43885	28
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.43148	29
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.4021	30
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.3978	31
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.34478	32
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q13255	"Metabotropic glutamate receptor 1 (mGluR1)"	"G-protein coupled receptor 3 family"	GRM1	2911;	"Homo sapiens (Human)"	1.33369	33
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.27859	34
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.20467	35
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	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)"	1.17164	36
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.13707	37
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.1301	38
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	1.12955	39
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q02318	"Sterol 26-hydroxylase, mitochondrial (EC 1.14.15.15) (5-beta-cholestane-3-alpha,7-alpha,12-alpha-triol 26-hydroxylase) (Cytochrome P-450C27/25) (Cytochrome P450 27) (Sterol 27-hydroxylase) (Vitamin D(3) 25-hydroxylase)"	"Cytochrome P450 family"	CYP27A1	1593;	"Homo sapiens (Human)"	1.11699	40
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	O60755	"Galanin receptor type 3 (GAL3-R) (GALR-3)"	"G-protein coupled receptor 1 family"	GALR3	8484;	"Homo sapiens (Human)"	1.11056	41
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q15722	"Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) (G-protein coupled receptor 16) (P2Y purinoceptor 7) (P2Y7)"	"G-protein coupled receptor 1 family"	LTB4R	1241;	"Homo sapiens (Human)"	1.08885	42
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P32239	"Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)"	"G-protein coupled receptor 1 family"	CCKBR	887;	"Homo sapiens (Human)"	1.07395	43
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P08684	"Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole monooxygenase (sulfoxide-forming)) (EC 1.14.14.73) (Albendazole sulfoxidase) (CYPIIIA3) (CYPIIIA4) (Cholesterol 25-hydroxylase) (EC 1.14.14.-) (Cytochrome P450 3A3) (Cytochrome P450 HLp) (Cytochrome P450 NF-25) (Cytochrome P450-PCN1) (Nifedipine oxidase) (Quinine 3-monooxygenase) (EC 1.14.14.55) (Taurochenodeoxycholate 6-alpha-hydroxylase) (EC 1.14.14.-)"	"Cytochrome P450 family"	CYP3A4	1576;	"Homo sapiens (Human)"	1.05973	44
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.05165	45
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)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)"	1.0474	46
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P46098	"5-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) (Serotonin receptor 3A) (Serotonin-gated ion channel receptor)"	"Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) subfamily, HTR3A sub-subfamily"	HTR3A	3359;	"Homo sapiens (Human)"	1.03927	47
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P27487	"Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein 2) (ADCP-2) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (CD antigen CD26) [Cleaved into: Dipeptidyl peptidase 4 membrane form (Dipeptidyl peptidase IV membrane form); Dipeptidyl peptidase 4 soluble form (Dipeptidyl peptidase IV soluble form)]"	"Peptidase S9B family, DPPIV subfamily"	DPP4	1803;	"Homo sapiens (Human)"	1.03154	48
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	P06756	"Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen CD51) [Cleaved into: Integrin alpha-V heavy chain; Integrin alpha-V light chain]"	"Integrin alpha chain family"	ITGAV	3685;	"Homo sapiens (Human)"	1.02791	49
1	Untitled	COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	Q13126	"S-methyl-5'-thioadenosine phosphorylase (EC 2.4.2.28) (5'-methylthioadenosine phosphorylase) (MTA phosphorylase) (MTAP) (MTAPase)"	"PNP/MTAP phosphorylase family, MTAP subfamily"	MTAP	4507;	"Homo sapiens (Human)"	0.998774	50