"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)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	3.26145	1
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	3.17196	2
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	3.16941	3
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	O43570	"Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase XII) (CA-XII) (Tumor antigen HOM-RCC-3.1.3)"	"Alpha-carbonic anhydrase family"	CA12	771;	"Homo sapiens (Human)"	2.98772	4
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	2.65115	5
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	2.32754	6
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	2.24619	7
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	2.2328	9
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	2.19058	10
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	2.12457	11
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q9UBL9	"P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX2	22953;	"Homo sapiens (Human)"	2.10702	12
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	2.04195	13
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	2.03259	14
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.96713	15
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.96239	16
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.95587	17
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P56373	"P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX3	5024;	"Homo sapiens (Human)"	1.86896	18
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.86021	19
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.85366	20
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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	21
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P00797	"Renin (EC 3.4.23.15) (Angiotensinogenase)"	"Peptidase A1 family"	REN	5972;	"Homo sapiens (Human)"	1.79376	22
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P17252	"Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily"	PRKCA	5578;	"Homo sapiens (Human)"	1.69692	23
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.69671	24
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.61946	25
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q16790	"Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase IX) (CA-IX) (CAIX) (Membrane antigen MN) (P54/58N) (Renal cell carcinoma-associated antigen G250) (RCC-associated antigen G250) (pMW1)"	"Alpha-carbonic anhydrase family"	CA9	768;	"Homo sapiens (Human)"	1.60555	26
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.59981	27
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.57494	28
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.53049	29
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.50059	30
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.45498	31
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.43636	32
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.40131	33
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	O95749	"Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Farnesyltranstransferase) (EC 2.5.1.29) (Geranylgeranyl diphosphate synthase) (Geranyltranstransferase) (EC 2.5.1.10)"	"FPP/GGPP synthase family"	GGPS1	9453;	"Homo sapiens (Human)"	1.34897	34
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.30201	35
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.28413	36
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.27789	37
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q92633	"Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid receptor Edg-2)"	"G-protein coupled receptor 1 family"	LPAR1	1902;	"Homo sapiens (Human)"	1.27777	38
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.26204	39
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	Q9ULX7	"Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase XIV) (CA-XIV)"	"Alpha-carbonic anhydrase family"	CA14	23632;	"Homo sapiens (Human)"	1.25303	40
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.24854	41
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.23859	42
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.23674	43
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.22725	44
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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	45
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P30968	"Gonadotropin-releasing hormone receptor (GnRH receptor) (GnRH-R)"	"G-protein coupled receptor 1 family"	GNRHR	2798;	"Homo sapiens (Human)"	1.21095	46
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.1984	47
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P12268	"Inosine-5'-monophosphate dehydrogenase 2 (IMP dehydrogenase 2) (IMPD 2) (IMPDH 2) (EC 1.1.1.205) (IMPDH-II)"	"IMPDH/GMPR family"	IMPDH2	3615;	"Homo sapiens (Human)"	1.191	48
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	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)"	1.17904	49
1	Untitled	CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	P29475	"Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS type I) (Neuronal NOS) (N-NOS) (nNOS) (Peptidyl-cysteine S-nitrosylase NOS1) (bNOS)"	"NOS family"	NOS1	4842;	"Homo sapiens (Human)"	1.15239	50