"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000808975	1
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P03372	"Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 group A member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR1	2099;	"Homo sapiens (Human)"	0.000760076	2
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000755314	3
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P27338	"Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) (MAO-B)"	"Flavin monoamine oxidase family"	MAOB	4129;	"Homo sapiens (Human)"	0.000726189	4
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000705501	5
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	0.000674808	6
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P09960	"Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)"	"Peptidase M1 family"	LTA4H	4048;	"Homo sapiens (Human)"	0.000671856	7
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000662922	8
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000639184	9
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	0.000637446	10
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P23975	"Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 member 2)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily"	SLC6A2	6530;	"Homo sapiens (Human)"	0.000607917	11
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.00060553	12
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000585412	13
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	Q04609	"Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) (Folate hydrolase 1) (Folylpoly-gamma-glutamate carboxypeptidase) (FGCP) (Glutamate carboxypeptidase II) (GCPII) (Membrane glutamate carboxypeptidase) (mGCP) (N-acetylated-alpha-linked acidic dipeptidase I) (NAALADase I) (Prostate-specific membrane antigen) (PSM) (PSMA) (Pteroylpoly-gamma-glutamate carboxypeptidase)"	"Peptidase M28 family, M28B subfamily"	FOLH1	2346;	"Homo sapiens (Human)"	0.000583575	14
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000575541	15
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000571439	16
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	0.000561768	17
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	0.000557658	18
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P35354	"Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) (Prostaglandin H2 synthase 2) (PGH synthase 2) (PGHS-2) (Prostaglandin-endoperoxide synthase 2)"	"Prostaglandin G/H synthase family"	PTGS2	5743;	"Homo sapiens (Human)"	0.000551162	19
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	0.000542588	20
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000533009	21
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	Q9Y5Y4	"Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 cells) (G-protein coupled receptor 44) (CD antigen CD294)"	"G-protein coupled receptor 1 family"	PTGDR2	11251;	"Homo sapiens (Human)"	0.000532784	22
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	0.000524837	23
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.00051855	24
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000509329	25
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P05177	"Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) (Cytochrome P450 4) (Cytochrome P450-P3)"	"Cytochrome P450 family"	CYP1A2	1544;	"Homo sapiens (Human)"	0.000488555	26
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P05093	"Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) (Cytochrome P450 17A1) (Cytochrome P450-C17) (Cytochrome P450c17) (Steroid 17-alpha-monooxygenase)"	"Cytochrome P450 family"	CYP17A1	1586;	"Homo sapiens (Human)"	0.000485513	27
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	0.000481942	28
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P14902	"Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)"	"Indoleamine 2,3-dioxygenase family"	IDO1	3620;	"Homo sapiens (Human)"	0.000479492	29
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	0.000477788	30
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	0.000474551	31
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P31213	"3-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) (Steroid 5-alpha-reductase 2) (S5AR 2) (Type II 5-alpha reductase)"	"Steroid 5-alpha reductase family"	SRD5A2	6716;	"Homo sapiens (Human)"	0.000472729	32
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P10635	"Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) (Debrisoquine 4-hydroxylase)"	"Cytochrome P450 family"	CYP2D6	1565;	"Homo sapiens (Human)"	0.000469947	33
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	0.00046237	34
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	Q99705	"Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein coupled receptor 24) (MCH-1R) (MCH1R) (MCHR) (SLC-1) (Somatostatin receptor-like protein)"	"G-protein coupled receptor 1 family"	MCHR1	2847;	"Homo sapiens (Human)"	0.00046097	35
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000457984	36
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000457465	37
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	0.000447268	38
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000440156	39
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000434384	40
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	0.000429222	41
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P09917	"Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)"	"Lipoxygenase family"	ALOX5	240;	"Homo sapiens (Human)"	0.000424014	42
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000422291	43
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000420239	44
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P29274	"Adenosine receptor A2a"	"G-protein coupled receptor 1 family"	ADORA2A	135;	"Homo sapiens (Human)"	0.000419747	45
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P14061	"Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD 1) (20 alpha-hydroxysteroid dehydrogenase) (20-alpha-HSD) (E2DH) (Placental 17-beta-hydroxysteroid dehydrogenase) (Short chain dehydrogenase/reductase family 28C member 1)"	"Short-chain dehydrogenases/reductases (SDR) family"	HSD17B1	3292;	"Homo sapiens (Human)"	0.000419305	46
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P18031	"Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) (PTP-1B)"	"Protein-tyrosine phosphatase family, Non-receptor class 1 subfamily"	PTPN1	5770;	"Homo sapiens (Human)"	0.000409688	47
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	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)"	0.000409633	48
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	0.000409458	49
1	Untitled	O=C(c1ccccc1)OCc1ccccc1	O=C(c1ccccc1)OCc1ccccc1	P23219	"Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 synthase 1) (PGH synthase 1) (PGHS-1) (PHS 1) (Prostaglandin-endoperoxide synthase 1)"	"Prostaglandin G/H synthase family"	PTGS1	5742;	"Homo sapiens (Human)"	0.000405536	50