"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P36537	"UDP-glucuronosyltransferase 2B10 (UDPGT 2B10) (EC 2.4.1.17)"	"UDP-glycosyltransferase family"	UGT2B10	7365;	"Homo sapiens (Human)"	3.5626	1
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P22310	"UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific UDPGT isozyme 2) (hUG-BR2) (UDP-glucuronosyltransferase 1-D) (UGT-1D) (UGT1D) (UDP-glucuronosyltransferase 1A4)"	"UDP-glycosyltransferase family"	UGT1A4	54657;	"Homo sapiens (Human)"	2.77252	2
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	2.51674	3
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	2.45909	4
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q9GZV3	"High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute carrier family 5 member 7)"	"Sodium:solute symporter (SSF) (TC 2.A.21) family"	SLC5A7	60482;	"Homo sapiens (Human)"	2.14853	5
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	2.13263	6
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q9HBA0	"Transient receptor potential cation channel subfamily V member 4 (TrpV4) (Osm-9-like TRP channel 4) (OTRPC4) (Transient receptor potential protein 12) (TRP12) (Vanilloid receptor-like channel 2) (Vanilloid receptor-like protein 2) (VRL-2) (Vanilloid receptor-related osmotically-activated channel) (VR-OAC)"	"Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV4 sub-subfamily"	TRPV4	59341;	"Homo sapiens (Human)"	2.1324	7
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	2.11081	8
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q99500	"Sphingosine 1-phosphate receptor 3 (S1P receptor 3) (S1P3) (Endothelial differentiation G-protein coupled receptor 3) (Sphingosine 1-phosphate receptor Edg-3) (S1P receptor Edg-3)"	"G-protein coupled receptor 1 family"	S1PR3	1903;	"Homo sapiens (Human)"	2.09081	9
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q92847	"Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) (GHRP) (Ghrelin receptor)"	"G-protein coupled receptor 1 family"	GHSR	2693;	"Homo sapiens (Human)"	2.08597	10
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P14625	"Endoplasmin (94 kDa glucose-regulated protein) (GRP-94) (Heat shock protein 90 kDa beta member 1) (Tumor rejection antigen 1) (gp96 homolog)"	"Heat shock protein 90 family"	HSP90B1	7184;	"Homo sapiens (Human)"	1.87936	11
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.81725	12
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.77705	13
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	O95497	"Pantetheinase (EC 3.5.1.92) (Pantetheine hydrolase) (Tiff66) (Vascular non-inflammatory molecule 1) (Vanin-1)"	"Carbon-nitrogen hydrolase superfamily, BTD/VNN family"	VNN1	8876;	"Homo sapiens (Human)"	1.7404	14
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.71953	15
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q9H228	"Sphingosine 1-phosphate receptor 5 (S1P receptor 5) (S1P5) (Endothelial differentiation G-protein-coupled receptor 8) (Sphingosine 1-phosphate receptor Edg-8) (S1P receptor Edg-8)"	"G-protein coupled receptor 1 family"	S1PR5	53637;	"Homo sapiens (Human)"	1.66415	16
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P21453	"Sphingosine 1-phosphate receptor 1 (S1P receptor 1) (S1P1) (Endothelial differentiation G-protein coupled receptor 1) (Sphingosine 1-phosphate receptor Edg-1) (S1P receptor Edg-1) (CD antigen CD363)"	"G-protein coupled receptor 1 family"	S1PR1	1901;	"Homo sapiens (Human)"	1.6245	17
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.61027	18
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.59691	19
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P43681	"Neuronal acetylcholine receptor subunit alpha-4"	"Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) subfamily, Alpha-4/CHRNA4 sub-subfamily"	CHRNA4	1137;	"Homo sapiens (Human)"	1.59085	20
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	1.48225	21
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.42936	22
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.41217	23
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	1.39518	24
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P41180	"Extracellular calcium-sensing receptor (CaR) (CaSR) (hCasR) (Parathyroid cell calcium-sensing receptor 1) (PCaR1)"	"G-protein coupled receptor 3 family"	CASR	846;	"Homo sapiens (Human)"	1.3726	25
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P04062	"Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) (Alglucerase) (Beta-glucocerebrosidase) (Beta-GC) (Cholesterol glucosyltransferase) (SGTase) (EC 2.4.1.-) (Cholesteryl-beta-glucosidase) (EC 3.2.1.104) (D-glucosyl-N-acylsphingosine glucohydrolase) (Imiglucerase)"	"Glycosyl hydrolase 30 family"	GBA	2629;	"Homo sapiens (Human)"	1.34256	26
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	O95977	"Sphingosine 1-phosphate receptor 4 (S1P receptor 4) (S1P4) (Endothelial differentiation G-protein coupled receptor 6) (Sphingosine 1-phosphate receptor Edg-6) (S1P receptor Edg-6)"	"G-protein coupled receptor 1 family"	S1PR4	8698;	"Homo sapiens (Human)"	1.33824	27
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.32755	28
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P16473	"Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)"	"G-protein coupled receptor 1 family, FSH/LSH/TSH subfamily"	TSHR	7253;	"Homo sapiens (Human)"	1.315	29
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P14324	"Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Geranyltranstransferase)"	"FPP/GGPP synthase family"	FDPS	2224;	"Homo sapiens (Human)"	1.18024	30
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	1.17483	31
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.14714	32
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.14113	33
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P27487	"Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein 2) (ADCP-2) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (CD antigen CD26) [Cleaved into: Dipeptidyl peptidase 4 membrane form (Dipeptidyl peptidase IV membrane form); Dipeptidyl peptidase 4 soluble form (Dipeptidyl peptidase IV soluble form)]"	"Peptidase S9B family, DPPIV subfamily"	DPP4	1803;	"Homo sapiens (Human)"	1.10511	34
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	1.06785	35
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.03001	36
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	O60341	"Lysine-specific histone demethylase 1A (EC 1.-.-.-) (BRAF35-HDAC complex protein BHC110) (Flavin-containing amine oxidase domain-containing protein 2)"	"Flavin monoamine oxidase family"	KDM1A	23028;	"Homo sapiens (Human)"	1.02364	37
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	0.935989	38
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P43220	"Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)"	"G-protein coupled receptor 2 family"	GLP1R	2740;	"Homo sapiens (Human)"	0.932395	39
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q96RJ0	"Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)"	"G-protein coupled receptor 1 family"	TAAR1	134864;	"Homo sapiens (Human)"	0.929235	40
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	Q13490	"Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of apoptosis 1) (C-IAP1) (IAP homolog B) (Inhibitor of apoptosis protein 2) (hIAP-2) (hIAP2) (RING finger protein 48) (RING-type E3 ubiquitin transferase BIRC2) (TNFR2-TRAF-signaling complex protein 2)"	"IAP family"	BIRC2	329;	"Homo sapiens (Human)"	0.908016	41
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P00797	"Renin (EC 3.4.23.15) (Angiotensinogenase)"	"Peptidase A1 family"	REN	5972;	"Homo sapiens (Human)"	0.901096	42
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	0.884963	43
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	0.874536	44
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P08238	"Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 kDa) (HSP 84) (HSP84)"	"Heat shock protein 90 family"	HSP90AB1	3326;	"Homo sapiens (Human)"	0.874098	45
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	0.871915	46
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)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)"	0.865325	47
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	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)"	0.843668	48
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P25098	"Beta-adrenergic receptor kinase 1 (Beta-ARK-1) (EC 2.7.11.15) (G-protein coupled receptor kinase 2)"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, GPRK subfamily"	GRK2	156;	"Homo sapiens (Human)"	0.832101	49
1	Untitled	CC(C)C(C)(C)NC(C)C	CC(NC(C(C)C)(C)C)C	P25100	"Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) (Alpha-adrenergic receptor 1a)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamily"	ADRA1D	146;	"Homo sapiens (Human)"	0.804283	50