"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)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.82854	1
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.76508	2
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	2.69522	3
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	2.6934	4
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	2.47049	5
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q6GMR7	"Fatty-acid amide hydrolase 2 (EC 3.5.1.99) (Amidase domain-containing protein) (Anandamide amidohydrolase 2) (Oleamide hydrolase 2)"	"Amidase family"	FAAH2	158584;	"Homo sapiens (Human)"	2.28941	6
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P43119	"Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid IP receptor)"	"G-protein coupled receptor 1 family"	PTGIR	5739;	"Homo sapiens (Human)"	2.2553	7
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	8
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.11444	9
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	2.0842	10
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q9Y233	"cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17) (EC 3.1.4.35)"	"Cyclic nucleotide phosphodiesterase family"	PDE10A	10846;	"Homo sapiens (Human)"	1.9461	11
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.93672	12
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P56817	"Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) (Beta-site amyloid precursor protein cleaving enzyme 1) (Beta-site APP cleaving enzyme 1) (Memapsin-2) (Membrane-associated aspartic protease 2)"	"Peptidase A1 family"	BACE1	23621;	"Homo sapiens (Human)"	1.93378	13
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.90232	14
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.84513	15
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.82339	16
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	1.78695	17
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.78527	18
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.74103	19
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.699	20
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	O14757	"Serine/threonine-protein kinase Chk1 (EC 2.7.11.1) (CHK1 checkpoint homolog) (Cell cycle checkpoint kinase) (Checkpoint kinase-1)"	"Protein kinase superfamily, CAMK Ser/Thr protein kinase family, NIM1 subfamily"	CHEK1	1111;	"Homo sapiens (Human)"	1.68518	21
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.68218	22
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.67103	23
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P09874	"Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 1) (ARTD1) (DNA ADP-ribosyltransferase PARP1) (EC 2.4.2.-) (NAD(+) ADP-ribosyltransferase 1) (ADPRT 1) (Poly[ADP-ribose] synthase 1) (Protein poly-ADP-ribosyltransferase PARP1) (EC 2.4.2.-)"		PARP1	142;	"Homo sapiens (Human)"	1.6179	24
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q8TDV5	"Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)"	"G-protein coupled receptor 1 family"	GPR119	139760;	"Homo sapiens (Human)"	1.6178	25
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q13255	"Metabotropic glutamate receptor 1 (mGluR1)"	"G-protein coupled receptor 3 family"	GRM1	2911;	"Homo sapiens (Human)"	1.58835	26
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.52753	27
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	28
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q14432	"cGMP-inhibited 3',5'-cyclic phosphodiesterase A (EC 3.1.4.17) (Cyclic GMP-inhibited phosphodiesterase A) (CGI-PDE A)"	"Cyclic nucleotide phosphodiesterase family, PDE3 subfamily"	PDE3A	5139;	"Homo sapiens (Human)"	1.52523	29
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.47101	30
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q8TDS4	"Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled receptor HM74A) (Niacin receptor 1) (Nicotinic acid receptor)"	"G-protein coupled receptor 1 family"	HCAR2	338442;	"Homo sapiens (Human)"	1.4435	31
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P29274	"Adenosine receptor A2a"	"G-protein coupled receptor 1 family"	ADORA2A	135;	"Homo sapiens (Human)"	1.41461	32
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q13370	"cGMP-inhibited 3',5'-cyclic phosphodiesterase B (EC 3.1.4.17) (CGIPDE1) (CGIP1) (Cyclic GMP-inhibited phosphodiesterase B) (CGI-PDE B)"	"Cyclic nucleotide phosphodiesterase family, PDE3 subfamily"	PDE3B	5140;	"Homo sapiens (Human)"	1.38864	33
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.38119	34
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.37309	35
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.36184	36
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.30614	37
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.30611	38
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.27673	39
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.23943	40
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q13258	"Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)"	"G-protein coupled receptor 1 family"	PTGDR	5729;	"Homo sapiens (Human)"	1.23336	41
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.2267	42
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.22536	43
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.19577	44
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P36544	"Neuronal acetylcholine receptor subunit alpha-7"	"Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) subfamily, Alpha-7/CHRNA7 sub-subfamily"	CHRNA7	1139;89832;	"Homo sapiens (Human)"	1.18555	45
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.18389	46
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	P35557	"Glucokinase (EC 2.7.1.2) (Hexokinase type IV) (HK IV) (Hexokinase-4) (HK4) (Hexokinase-D)"	"Hexokinase family"	GCK	2645;	"Homo sapiens (Human)"	1.163	47
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	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)"	1.15789	48
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)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)"	1.14873	49
1	Untitled	CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	O43614	"Orexin receptor type 2 (Ox-2-R) (Ox2-R) (Ox2R) (Hypocretin receptor type 2)"	"G-protein coupled receptor 1 family"	HCRTR2	3062;	"Homo sapiens (Human)"	1.14461	50