"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)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.32167	1
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	Q13255	"Metabotropic glutamate receptor 1 (mGluR1)"	"G-protein coupled receptor 3 family"	GRM1	2911;	"Homo sapiens (Human)"	2.84179	2
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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	3
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	2.81717	4
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.6208	5
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	Q13304	"Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)"	"G-protein coupled receptor 1 family"	GPR17	2840;	"Homo sapiens (Human)"	2.47789	6
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	2.33563	7
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	Q16831	"Uridine phosphorylase 1 (UPase 1) (UrdPase 1) (EC 2.4.2.3)"	"PNP/UDP phosphorylase family"	UPP1	7378;	"Homo sapiens (Human)"	2.30516	8
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P30556	"Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) (AT1)"	"G-protein coupled receptor 1 family"	AGTR1	185;	"Homo sapiens (Human)"	2.25784	9
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P15121	"Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) (EC 1.1.1.54) (Aldehyde reductase) (Aldose reductase) (AR) (EC 1.1.1.21)"	"Aldo/keto reductase family"	AKR1B1	231;	"Homo sapiens (Human)"	2.16216	10
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.07506	11
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	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)"	1.95958	12
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.95797	13
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.84084	14
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P35368	"Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamily"	ADRA1B	147;	"Homo sapiens (Human)"	1.82028	15
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.76014	16
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P29275	"Adenosine receptor A2b"	"G-protein coupled receptor 1 family"	ADORA2B	136;	"Homo sapiens (Human)"	1.75677	17
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	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)"	1.74633	18
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.73195	19
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.72899	20
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.71576	21
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.69153	22
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	1.60313	23
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.47686	24
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.41586	25
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)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)"	1.38219	26
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.37544	27
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	O60678	"Protein arginine N-methyltransferase 3 (EC 2.1.1.-) (Heterogeneous nuclear ribonucleoprotein methyltransferase-like protein 3)"	"Class I-like SAM-binding methyltransferase superfamily, Protein arginine N-methyltransferase family"	PRMT3	10196;	"Homo sapiens (Human)"	1.37423	28
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.37144	29
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.32686	30
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.30966	31
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.28065	32
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.26479	33
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.18449	34
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.16247	35
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P14867	"Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA1 sub-subfamily"	GABRA1	2554;	"Homo sapiens (Human)"	1.14591	36
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.1443	37
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.14348	38
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P00742	"Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved into: Factor X light chain; Factor X heavy chain; Activated factor Xa heavy chain]"	"Peptidase S1 family"	F10	2159;	"Homo sapiens (Human)"	1.11101	39
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P50052	"Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2)"	"G-protein coupled receptor 1 family"	AGTR2	186;	"Homo sapiens (Human)"	1.10728	40
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.09832	41
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	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)"	1.09645	42
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)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)"	1.09227	43
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.07859	44
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	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)"	1.06295	45
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)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)"	1.05596	46
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P42338	"Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3-kinase subunit beta) (PI3K-beta) (PI3Kbeta) (PtdIns-3-kinase subunit beta) (EC 2.7.1.153) (Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit beta) (PtdIns-3-kinase subunit p110-beta) (p110beta)"	"PI3/PI4-kinase family"	PIK3CB	5291;	"Homo sapiens (Human)"	1.04569	47
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	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)"	1.03557	48
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	1.03023	49
1	Untitled	CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1	CCOP(=S)(SCn1nnc2c(c1=O)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)"	1.02469	50