"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)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.91251	1
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.54817	2
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q8TDV5	"Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)"	"G-protein coupled receptor 1 family"	GPR119	139760;	"Homo sapiens (Human)"	2.32357	3
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	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)"	2.23319	4
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P00797	"Renin (EC 3.4.23.15) (Angiotensinogenase)"	"Peptidase A1 family"	REN	5972;	"Homo sapiens (Human)"	2.15696	5
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.06699	6
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	2.02458	7
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.90537	8
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.89544	9
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.8646	10
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.82178	11
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P21397	"Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) (MAO-A)"	"Flavin monoamine oxidase family"	MAOA	4128;	"Homo sapiens (Human)"	1.78951	12
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P27338	"Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) (MAO-B)"	"Flavin monoamine oxidase family"	MAOB	4129;	"Homo sapiens (Human)"	1.74021	13
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q9HBX9	"Relaxin receptor 1 (Leucine-rich repeat-containing G-protein coupled receptor 7) (Relaxin family peptide receptor 1)"	"G-protein coupled receptor 1 family"	RXFP1	59350;	"Homo sapiens (Human)"	1.68852	14
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P47901	"Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone receptor 1b) (Vasopressin V3 receptor)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	AVPR1B	553;	"Homo sapiens (Human)"	1.68571	15
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P43088	"Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)"	"G-protein coupled receptor 1 family"	PTGFR	5737;	"Homo sapiens (Human)"	1.66907	16
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.58602	17
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	1.54653	18
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.49999	19
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	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)"	1.43653	20
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.43644	21
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.42404	22
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q8WXD0	"Relaxin receptor 2 (G-protein coupled receptor 106) (G-protein coupled receptor affecting testicular descent) (Leucine-rich repeat-containing G-protein coupled receptor 8) (Relaxin family peptide receptor 2)"	"G-protein coupled receptor 1 family"	RXFP2	122042;	"Homo sapiens (Human)"	1.39476	23
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	1.38045	24
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P28074	"Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic endopeptidase complex epsilon chain) (Proteasome chain 6) (Proteasome epsilon chain) (Proteasome subunit MB1) (Proteasome subunit X)"	"Peptidase T1B family"	PSMB5	5693;	"Homo sapiens (Human)"	1.36721	25
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	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)"	1.35788	26
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.32282	27
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P17655	"Calpain-2 catalytic subunit (EC 3.4.22.53) (Calcium-activated neutral proteinase 2) (CANP 2) (Calpain M-type) (Calpain large polypeptide L2) (Calpain-2 large subunit) (Millimolar-calpain) (M-calpain)"	"Peptidase C2 family"	CAPN2	824;	"Homo sapiens (Human)"	1.30407	28
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q13936	"Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle) (Voltage-gated calcium channel subunit alpha Cav1.2)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamily"	CACNA1C	775;	"Homo sapiens (Human)"	1.2706	29
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.26611	30
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P25774	"Cathepsin S (EC 3.4.22.27)"	"Peptidase C1 family"	CTSS	1520;	"Homo sapiens (Human)"	1.25373	31
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.25233	32
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.23958	33
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	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)"	1.23677	34
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.2296	35
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q9HBW0	"Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid receptor Edg-4)"	"G-protein coupled receptor 1 family"	LPAR2	9170;	"Homo sapiens (Human)"	1.22766	36
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.21194	37
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.20006	38
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.18499	39
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P33261	"Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene 6-monooxygenase) (EC 1.14.14.51) ((S)-limonene 7-monooxygenase) (EC 1.14.14.52) (CYPIIC17) (CYPIIC19) (Cytochrome P450-11A) (Cytochrome P450-254C) (Fenbendazole monooxygenase (4'-hydroxylating)) (EC 1.14.14.75) (Mephenytoin 4-hydroxylase)"	"Cytochrome P450 family"	CYP2C19	1557;	"Homo sapiens (Human)"	1.16986	40
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.16296	41
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.15582	42
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P08912	"Muscarinic acetylcholine receptor M5"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 sub-subfamily"	CHRM5	1133;	"Homo sapiens (Human)"	1.13573	43
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.1333	44
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.12328	45
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	Q99538	"Legumain (EC 3.4.22.34) (Asparaginyl endopeptidase) (Protease, cysteine 1)"	"Peptidase C13 family"	LGMN	5641;	"Homo sapiens (Human)"	1.12105	46
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)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)"	1.12072	47
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.11445	48
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	1.07981	49
1	Untitled	CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.0614	50