"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	3.37895	1
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	2.95375	2
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	2.47172	3
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	2.3019	4
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	2.29652	5
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.23881	6
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.21082	7
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	2.15802	8
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	2.09432	9
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P05067	"Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) (Amyloid precursor protein) (Amyloid-beta A4 protein) (Cerebral vascular amyloid peptide) (CVAP) (PreA4) (Protease nexin-II) (PN-II) [Cleaved into: N-APP; Soluble APP-alpha (S-APP-alpha); Soluble APP-beta (S-APP-beta); C99 (Beta-secretase C-terminal fragment) (Beta-CTF); Amyloid-beta protein 42 (Abeta42) (Beta-APP42); Amyloid-beta protein 40 (Abeta40) (Beta-APP40); C83 (Alpha-secretase C-terminal fragment) (Alpha-CTF); P3(42); P3(40); C80; Gamma-secretase C-terminal fragment 59 (Amyloid intracellular domain 59) (AICD-59) (AID(59)) (Gamma-CTF(59)); Gamma-secretase C-terminal fragment 57 (Amyloid intracellular domain 57) (AICD-57) (AID(57)) (Gamma-CTF(57)); Gamma-secretase C-terminal fragment 50 (Amyloid intracellular domain 50) (AICD-50) (AID(50)) (Gamma-CTF(50)); C31]"	"APP family"	APP	351;	"Homo sapiens (Human)"	2.03596	10
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P13945	"Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamily"	ADRB3	155;	"Homo sapiens (Human)"	1.7908	11
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.76519	12
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.73465	13
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P37268	"Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)"	"Phytoene/squalene synthase family"	FDFT1	2222;	"Homo sapiens (Human)"	1.70401	14
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.69779	15
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.63968	16
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P04278	"Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding protein) (ABP) (Testosterone-estradiol-binding globulin) (TeBG) (Testosterone-estrogen-binding globulin)"		SHBG	6462;	"Homo sapiens (Human)"	1.54328	17
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.48317	18
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.44162	19
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P13726	"Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)"	"Tissue factor family"	F3	2152;	"Homo sapiens (Human)"	1.42093	20
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.35429	21
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.31688	22
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.30182	23
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.29599	24
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.2838	25
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P10827	"Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A member 1) (V-erbA-related protein 7) (EAR-7) (c-erbA-1) (c-erbA-alpha)"	"Nuclear hormone receptor family, NR1 subfamily"	THRA	7067;	"Homo sapiens (Human)"	1.25831	26
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.25131	27
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P48449	"Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)"	"Terpene cyclase/mutase family"	LSS	4047;	"Homo sapiens (Human)"	1.22915	28
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.22194	29
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.20729	30
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.1784	31
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	Q13509	"Tubulin beta-3 chain (Tubulin beta-4 chain) (Tubulin beta-III)"	"Tubulin family"	TUBB3	10381;	"Homo sapiens (Human)"	1.16766	32
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.14257	33
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	Q16678	"Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)"	"Cytochrome P450 family"	CYP1B1	1545;	"Homo sapiens (Human)"	1.1417	34
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P28335	"5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) (5-HT1C) (Serotonin receptor 2C)"	"G-protein coupled receptor 1 family"	HTR2C	3358;	"Homo sapiens (Human)"	1.12352	35
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	O94811	"Tubulin polymerization-promoting protein (TPPP) (25 kDa brain-specific protein) (TPPP/p25) (p24) (p25-alpha)"	"TPPP family"	TPPP	11076;	"Homo sapiens (Human)"	1.10787	36
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.10273	37
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P16473	"Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)"	"G-protein coupled receptor 1 family, FSH/LSH/TSH subfamily"	TSHR	7253;	"Homo sapiens (Human)"	1.07783	38
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P21728	"D(1A) dopamine receptor (Dopamine D1 receptor)"	"G-protein coupled receptor 1 family"	DRD1	1812;	"Homo sapiens (Human)"	1.0615	39
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.04286	40
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	1.02707	41
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.98726	42
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	Q96RJ0	"Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)"	"G-protein coupled receptor 1 family"	TAAR1	134864;	"Homo sapiens (Human)"	0.959435	43
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	0.932045	44
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	Q96GD4	"Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like midbody-associated protein 1) (AIM-1) (Aurora/IPL1-related kinase 2) (ARK-2) (Aurora-related kinase 2) (STK-1) (Serine/threonine-protein kinase 12) (Serine/threonine-protein kinase 5) (Serine/threonine-protein kinase aurora-B)"	"Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily"	AURKB	9212;	"Homo sapiens (Human)"	0.925992	45
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	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)"	0.915664	46
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P61073	"C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) (LCR1) (Leukocyte-derived seven transmembrane domain receptor) (LESTR) (Lipopolysaccharide-associated protein 3) (LAP-3) (LPS-associated protein 3) (NPYRL) (Stromal cell-derived factor 1 receptor) (SDF-1 receptor) (CD antigen CD184)"	"G-protein coupled receptor 1 family"	CXCR4	7852;	"Homo sapiens (Human)"	0.902974	47
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P43115	"Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 receptor EP3 subtype) (PGE2-R) (Prostanoid EP3 receptor)"	"G-protein coupled receptor 1 family"	PTGER3	5733;	"Homo sapiens (Human)"	0.87038	48
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P53779	"Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC 2.7.11.24) (MAP kinase p49 3F12) (Stress-activated protein kinase 1b) (SAPK1b) (Stress-activated protein kinase JNK3) (c-Jun N-terminal kinase 3)"	"Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase subfamily"	MAPK10	5602;	"Homo sapiens (Human)"	0.851594	49
1	Untitled	COC1=C(C=CC(=C1)CC=C)O	C=CCc1ccc(c(c1)OC)O	P34969	"5-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)"	"G-protein coupled receptor 1 family"	HTR7	3363;	"Homo sapiens (Human)"	0.847639	50