"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	O00481	"Butyrophilin subfamily 3 member A1 (CD antigen CD277)"	"Immunoglobulin superfamily, BTN/MOG family"	BTN3A1	11119;	"Homo sapiens (Human)"	3.26761	1
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P47900	"P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY1	5028;	"Homo sapiens (Human)"	3.12865	2
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	2.9917	3
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	O43193	"Motilin receptor (G-protein coupled receptor 38)"	"G-protein coupled receptor 1 family"	MLNR	2862;	"Homo sapiens (Human)"	2.77835	4
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	2.76619	5
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P48449	"Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)"	"Terpene cyclase/mutase family"	LSS	4047;	"Homo sapiens (Human)"	2.70748	6
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	2.70365	7
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	2.6992	8
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.67583	9
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q9ULY5	"C-type lectin domain family 4 member E (C-type lectin superfamily member 9) (Macrophage-inducible C-type lectin) (MINCLE)"		CLEC4E	26253;	"Homo sapiens (Human)"	2.19899	10
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q05655	"Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) (EC 2.7.10.2) (nPKC-delta) [Cleaved into: Protein kinase C delta type regulatory subunit; Protein kinase C delta type catalytic subunit (Sphingosine-dependent protein kinase-1) (SDK1)]"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily"	PRKCD	5580;	"Homo sapiens (Human)"	2.13098	11
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	2.06835	12
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	2.02361	13
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P12872	"Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]"	"Motilin family"	MLN	4295;	"Homo sapiens (Human)"	1.99688	14
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q9Y263	"Phospholipase A-2-activating protein (PLA2P) (PLAP)"	"WD repeat PLAP family"	PLAA	9373;	"Homo sapiens (Human)"	1.94663	15
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	1.90334	16
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.8955	17
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.89341	18
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	1.81094	19
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.79372	20
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P00797	"Renin (EC 3.4.23.15) (Angiotensinogenase)"	"Peptidase A1 family"	REN	5972;	"Homo sapiens (Human)"	1.76704	21
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.71448	22
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P03956	"Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved into: 22 kDa interstitial collagenase; 27 kDa interstitial collagenase]"	"Peptidase M10A family"	MMP1	4312;	"Homo sapiens (Human)"	1.65463	23
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q02083	"N-acylethanolamine-hydrolyzing acid amidase (EC 3.5.1.-) (Acid ceramidase-like protein) (N-acylsphingosine amidohydrolase-like) (ASAH-like protein) [Cleaved into: N-acylethanolamine-hydrolyzing acid amidase subunit alpha; N-acylethanolamine-hydrolyzing acid amidase subunit beta]"	"Acid ceramidase family"	NAAA	27163;	"Homo sapiens (Human)"	1.63287	24
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q9Y2T6	"G-protein coupled receptor 55"	"G-protein coupled receptor 1 family"	GPR55	9290;	"Homo sapiens (Human)"	1.61036	25
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q8TDV5	"Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)"	"G-protein coupled receptor 1 family"	GPR119	139760;	"Homo sapiens (Human)"	1.55322	26
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.53034	27
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.51251	28
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.48894	29
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.47657	30
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.4639	31
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.45719	32
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q01668	"Voltage-dependent L-type calcium channel subunit alpha-1D (Calcium channel, L type, alpha-1 polypeptide, isoform 2) (Voltage-gated calcium channel subunit alpha Cav1.3)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1D subfamily"	CACNA1D	776;	"Homo sapiens (Human)"	1.44672	33
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	1.43884	34
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.42652	35
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q13432	"Protein unc-119 homolog A (Retinal protein 4) (hRG4)"	"PDE6D/unc-119 family"	UNC119	9094;	"Homo sapiens (Human)"	1.394	36
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.38602	37
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.38112	38
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P25774	"Cathepsin S (EC 3.4.22.27)"	"Peptidase C1 family"	CTSS	1520;	"Homo sapiens (Human)"	1.36174	39
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	1.3445	40
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	1.33287	41
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.29925	42
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.29325	43
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q13822	"Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) (Extracellular lysophospholipase D) (LysoPLD)"	"Nucleotide pyrophosphatase/phosphodiesterase family"	ENPP2	5168;	"Homo sapiens (Human)"	1.28378	44
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q99685	"Monoglyceride lipase (MGL) (EC 3.1.1.23) (HU-K5) (Lysophospholipase homolog) (Lysophospholipase-like) (Monoacylglycerol lipase) (MAGL)"	"AB hydrolase superfamily, Monoacylglycerol lipase family"	MGLL	11343;	"Homo sapiens (Human)"	1.28182	45
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.26715	46
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.26435	47
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	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)"	1.26147	48
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)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)"	1.25222	49
1	Untitled	CCC(C)SP(=O)(N1CCSC1=O)OCC	CCOP(=O)(N1CCSC1=O)SC(CC)C	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.24188	50