"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	4.02505	1
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q9Y271	"Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 receptor) (G-protein coupled receptor HG55) (HMTMF81)"	"G-protein coupled receptor 1 family"	CYSLTR1	10800;	"Homo sapiens (Human)"	3.68508	2
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	3.49979	3
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	3.2515	4
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	3.02905	5
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	2.71706	6
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.70481	7
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	2.24551	8
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	2.24329	9
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	10
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.19577	11
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q9UBY5	"Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid receptor Edg-7)"	"G-protein coupled receptor 1 family"	LPAR3	23566;	"Homo sapiens (Human)"	2.18915	12
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	2.1828	13
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	2.11386	14
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.69144	15
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.65569	16
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.61531	17
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P07099	"Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) (mEH)"	"Peptidase S33 family"	EPHX1	2052;	"Homo sapiens (Human)"	1.61424	18
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q9NS75	"Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) (G-protein coupled receptor HG57) (HPN321)"	"G-protein coupled receptor 1 family"	CYSLTR2	57105;	"Homo sapiens (Human)"	1.56061	19
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.53624	20
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	21
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P06401	"Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member 3)"	"Nuclear hormone receptor family, NR3 subfamily"	PGR	5241;	"Homo sapiens (Human)"	1.52194	22
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P18405	"3-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase 1) (S5AR 1)"	"Steroid 5-alpha reductase family"	SRD5A1	6715;	"Homo sapiens (Human)"	1.48479	23
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	O75469	"Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear receptor PAR1) (Orphan nuclear receptor PXR) (Pregnane X receptor) (Steroid and xenobiotic receptor) (SXR)"	"Nuclear hormone receptor family, NR1 subfamily"	NR1I2	8856;	"Homo sapiens (Human)"	1.45421	24
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.40459	25
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.38261	26
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.33319	27
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.33269	28
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P28845	"Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) (11-beta-HSD1) (Short chain dehydrogenase/reductase family 26C member 1)"	"Short-chain dehydrogenases/reductases (SDR) family"	HSD11B1	3290;	"Homo sapiens (Human)"	1.29664	29
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q9Y5Y4	"Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 cells) (G-protein coupled receptor 44) (CD antigen CD294)"	"G-protein coupled receptor 1 family"	PTGDR2	11251;	"Homo sapiens (Human)"	1.2547	30
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.24821	31
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.21093	32
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q96LB1	"Mas-related G-protein coupled receptor member X2"	"G-protein coupled receptor 1 family, Mas subfamily"	MRGPRX2	117194;	"Homo sapiens (Human)"	1.12301	33
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.10779	34
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.05452	35
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.01697	36
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	1.00532	37
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P23975	"Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 member 2)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily"	SLC6A2	6530;	"Homo sapiens (Human)"	0.939303	38
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P13726	"Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)"	"Tissue factor family"	F3	2152;	"Homo sapiens (Human)"	0.922485	39
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.895627	40
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	0.89448	41
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	0.86849	42
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.865655	43
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.859865	44
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.859495	45
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.855832	46
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.848962	47
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P41231	"P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) (P2U receptor 1) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY2	5029;	"Homo sapiens (Human)"	0.829022	48
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	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)"	0.823207	49
1	Untitled	CCS(=O)CCSP(=O)(OC)OC	CCS(=O)CCSP(=O)(OC)OC	P78527	"DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC 2.7.11.1) (DNPK1) (p460)"	"PI3/PI4-kinase family"	PRKDC	5591;	"Homo sapiens (Human)"	0.789864	50