"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	4.14021	1
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.14144	2
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P13726	"Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)"	"Tissue factor family"	F3	2152;	"Homo sapiens (Human)"	2.976	3
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.66528	4
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	2.64918	5
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	2.45364	6
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	2.25004	7
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	2.14306	8
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	2.0142	9
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	2.00534	10
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	2.00277	11
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.93125	12
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.92375	13
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.89079	14
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.72906	15
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.69002	16
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P43115	"Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 receptor EP3 subtype) (PGE2-R) (Prostanoid EP3 receptor)"	"G-protein coupled receptor 1 family"	PTGER3	5733;	"Homo sapiens (Human)"	1.682	17
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.62732	18
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.57012	19
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.49125	20
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.48332	21
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q15125	"3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EC 5.3.3.5) (Cholestenol Delta-isomerase) (Delta(8)-Delta(7) sterol isomerase) (D8-D7 sterol isomerase) (Emopamil-binding protein)"	"EBP family"	EBP	10682;	"Homo sapiens (Human)"	1.45053	22
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	O15379	"Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC3	8841;	"Homo sapiens (Human)"	1.44785	23
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.40671	24
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P05067	"Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) (Amyloid precursor protein) (Amyloid-beta A4 protein) (Cerebral vascular amyloid peptide) (CVAP) (PreA4) (Protease nexin-II) (PN-II) [Cleaved into: N-APP; Soluble APP-alpha (S-APP-alpha); Soluble APP-beta (S-APP-beta); C99 (Beta-secretase C-terminal fragment) (Beta-CTF); Amyloid-beta protein 42 (Abeta42) (Beta-APP42); Amyloid-beta protein 40 (Abeta40) (Beta-APP40); C83 (Alpha-secretase C-terminal fragment) (Alpha-CTF); P3(42); P3(40); C80; Gamma-secretase C-terminal fragment 59 (Amyloid intracellular domain 59) (AICD-59) (AID(59)) (Gamma-CTF(59)); Gamma-secretase C-terminal fragment 57 (Amyloid intracellular domain 57) (AICD-57) (AID(57)) (Gamma-CTF(57)); Gamma-secretase C-terminal fragment 50 (Amyloid intracellular domain 50) (AICD-50) (AID(50)) (Gamma-CTF(50)); C31]"	"APP family"	APP	351;	"Homo sapiens (Human)"	1.38455	25
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.29195	26
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q9UBN7	"Histone deacetylase 6 (HD6) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 2 subfamily"	HDAC6	10013;	"Homo sapiens (Human)"	1.28705	27
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P04035	"3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)"	"HMG-CoA reductase family"	HMGCR	3156;	"Homo sapiens (Human)"	1.28423	28
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.27823	29
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.25163	30
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.2373	31
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.23293	32
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	O75762	"Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like with transmembrane domains protein 1) (Transformation-sensitive protein p120)"	"Transient receptor (TC 1.A.4) family"	TRPA1	8989;	"Homo sapiens (Human)"	1.22704	33
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.21735	34
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P16083	"Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone oxidoreductase 2) (Quinone reductase 2) (QR2)"	"NAD(P)H dehydrogenase (quinone) family"	NQO2	4835;	"Homo sapiens (Human)"	1.20141	35
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q9BY41	"Histone deacetylase 8 (HD8) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC8	55869;	"Homo sapiens (Human)"	1.19995	36
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.15484	37
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.14777	38
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P09917	"Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)"	"Lipoxygenase family"	ALOX5	240;	"Homo sapiens (Human)"	1.14174	39
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	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)"	1.13072	40
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.12682	41
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	Q99705	"Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein coupled receptor 24) (MCH-1R) (MCH1R) (MCHR) (SLC-1) (Somatostatin receptor-like protein)"	"G-protein coupled receptor 1 family"	MCHR1	2847;	"Homo sapiens (Human)"	1.10536	42
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P49841	"Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase GSK3B) (EC 2.7.11.1)"	"Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamily"	GSK3B	2932;	"Homo sapiens (Human)"	1.1	43
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)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)"	1.099	44
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.09625	45
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P28222	"5-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) (5-HT-1D-beta) (Serotonin receptor 1B)"	"G-protein coupled receptor 1 family"	HTR1B	3351;	"Homo sapiens (Human)"	1.08876	46
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P35368	"Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamily"	ADRA1B	147;	"Homo sapiens (Human)"	1.08716	47
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P25101	"Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)"	"G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily"	EDNRA	1909;	"Homo sapiens (Human)"	1.08427	48
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P03372	"Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 group A member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR1	2099;	"Homo sapiens (Human)"	1.08096	49
1	Untitled	C/C=C/C1=CC=C(C=C1)OC	C/C=C/c1ccc(cc1)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.07934	50