"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	3.545	1
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	2.59126	2
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.55157	3
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P56373	"P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX3	5024;	"Homo sapiens (Human)"	2.49556	4
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	2.46512	5
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q9UBL9	"P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX2	22953;	"Homo sapiens (Human)"	2.40612	6
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	2.31825	7
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	2.16238	9
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	2.12217	10
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	2.0142	11
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.9589	12
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.95048	13
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P83916	"Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) (HP1 beta) (Heterochromatin protein p25) (M31) (Modifier 1 protein) (p25beta)"		CBX1	10951;	"Homo sapiens (Human)"	1.94313	14
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.91929	15
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.82553	16
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.79092	17
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.71787	18
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.711	19
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.66523	20
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.65578	21
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P30518	"Vasopressin V2 receptor (V2R) (AVPR V2) (Antidiuretic hormone receptor) (Renal-type arginine vasopressin receptor)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	AVPR2	554;	"Homo sapiens (Human)"	1.62125	22
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.59264	23
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.56065	24
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.55501	25
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.51178	26
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P53602	"Diphosphomevalonate decarboxylase (EC 4.1.1.33) (Mevalonate (diphospho)decarboxylase) (MDDase) (Mevalonate pyrophosphate decarboxylase)"	"Diphosphomevalonate decarboxylase family"	MVD	4597;	"Homo sapiens (Human)"	1.40406	27
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.38094	28
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P47900	"P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY1	5028;	"Homo sapiens (Human)"	1.37557	29
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P51149	"Ras-related protein Rab-7a"	"Small GTPase superfamily, Rab family"	RAB7A	7879;	"Homo sapiens (Human)"	1.36262	30
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.3483	31
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.29964	32
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.29076	33
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P30559	"Oxytocin receptor (OT-R)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	OXTR	5021;	"Homo sapiens (Human)"	1.2805	34
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.27421	35
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.25408	36
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.22305	37
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.21685	38
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.2112	39
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.20945	40
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.20016	41
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.1737	42
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P25101	"Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)"	"G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily"	EDNRA	1909;	"Homo sapiens (Human)"	1.17356	43
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q9H1C0	"Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled receptor 92) (G-protein coupled receptor 93)"	"G-protein coupled receptor 1 family"	LPAR5	57121;	"Homo sapiens (Human)"	1.16377	44
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P34998	"Corticotropin-releasing factor receptor 1 (CRF-R-1) (CRF-R1) (CRFR-1) (Corticotropin-releasing hormone receptor 1) (CRH-R-1) (CRH-R1)"	"G-protein coupled receptor 2 family"	CRHR1	104909134;1394;	"Homo sapiens (Human)"	1.15894	45
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.13618	46
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	Q15125	"3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EC 5.3.3.5) (Cholestenol Delta-isomerase) (Delta(8)-Delta(7) sterol isomerase) (D8-D7 sterol isomerase) (Emopamil-binding protein)"	"EBP family"	EBP	10682;	"Homo sapiens (Human)"	1.11485	47
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P35228	"Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible NO synthase) (Inducible NOS) (iNOS) (NOS type II) (Peptidyl-cysteine S-nitrosylase NOS2)"	"NOS family"	NOS2	4843;	"Homo sapiens (Human)"	1.11367	48
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	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)"	1.10371	49
1	Untitled	CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.08933	50