"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P14867	"Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA1 sub-subfamily"	GABRA1	2554;	"Homo sapiens (Human)"	3.86508	1
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	3.34477	2
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	2.85879	3
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.50853	4
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P47869	"Gamma-aminobutyric acid receptor subunit alpha-2 (GABA(A) receptor subunit alpha-2)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA2 sub-subfamily"	GABRA2	2555;	"Homo sapiens (Human)"	2.43605	5
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	2.43525	6
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	2.30893	7
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P34903	"Gamma-aminobutyric acid receptor subunit alpha-3 (GABA(A) receptor subunit alpha-3)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA3 sub-subfamily"	GABRA3	2556;	"Homo sapiens (Human)"	2.30548	8
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	2.14095	9
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	2.0465	10
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P13945	"Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamily"	ADRB3	155;	"Homo sapiens (Human)"	2.04399	11
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P28335	"5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) (5-HT1C) (Serotonin receptor 2C)"	"G-protein coupled receptor 1 family"	HTR2C	3358;	"Homo sapiens (Human)"	2.02348	12
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.91511	13
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.91213	14
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	O14757	"Serine/threonine-protein kinase Chk1 (EC 2.7.11.1) (CHK1 checkpoint homolog) (Cell cycle checkpoint kinase) (Checkpoint kinase-1)"	"Protein kinase superfamily, CAMK Ser/Thr protein kinase family, NIM1 subfamily"	CHEK1	1111;	"Homo sapiens (Human)"	1.83869	15
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	1.82086	16
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	1.81576	17
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.76064	18
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P31644	"Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA5 sub-subfamily"	GABRA5	2558;	"Homo sapiens (Human)"	1.74924	19
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P28221	"5-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) (Serotonin receptor 1D)"	"G-protein coupled receptor 1 family"	HTR1D	3352;	"Homo sapiens (Human)"	1.72125	20
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.70369	21
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.67976	22
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.61444	23
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P05177	"Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) (Cytochrome P450 4) (Cytochrome P450-P3)"	"Cytochrome P450 family"	CYP1A2	1544;	"Homo sapiens (Human)"	1.61248	24
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.59943	25
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P10721	"Mast/stem cell growth factor receptor Kit (SCFR) (EC 2.7.10.1) (Piebald trait protein) (PBT) (Proto-oncogene c-Kit) (Tyrosine-protein kinase Kit) (p145 c-kit) (v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog) (CD antigen CD117)"	"Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily"	KIT	3815;	"Homo sapiens (Human)"	1.55891	26
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.55031	27
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.43701	28
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.41859	29
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P34969	"5-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)"	"G-protein coupled receptor 1 family"	HTR7	3363;	"Homo sapiens (Human)"	1.39852	30
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q16445	"Gamma-aminobutyric acid receptor subunit alpha-6 (GABA(A) receptor subunit alpha-6)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA6 sub-subfamily"	GABRA6	2559;	"Homo sapiens (Human)"	1.33635	31
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P29275	"Adenosine receptor A2b"	"G-protein coupled receptor 1 family"	ADORA2B	136;	"Homo sapiens (Human)"	1.304	32
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.28763	33
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P25100	"Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) (Alpha-adrenergic receptor 1a)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamily"	ADRA1D	146;	"Homo sapiens (Human)"	1.2608	34
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.258	35
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.24935	36
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.24444	37
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P11802	"Cyclin-dependent kinase 4 (EC 2.7.11.22) (Cell division protein kinase 4) (PSK-J3)"	"Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamily"	CDK4	1019;	"Homo sapiens (Human)"	1.21656	38
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.19793	39
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P41146	"Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)"	"G-protein coupled receptor 1 family"	OPRL1	4987;	"Homo sapiens (Human)"	1.17753	40
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P28566	"5-hydroxytryptamine receptor 1E (5-HT-1E) (5-HT1E) (S31) (Serotonin receptor 1E)"	"G-protein coupled receptor 1 family"	HTR1E	3354;	"Homo sapiens (Human)"	1.17745	41
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.13748	42
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	O15111	"Inhibitor of nuclear factor kappa-B kinase subunit alpha (I-kappa-B kinase alpha) (IKK-A) (IKK-alpha) (IkBKA) (IkappaB kinase) (EC 2.7.11.10) (Conserved helix-loop-helix ubiquitous kinase) (I-kappa-B kinase 1) (IKK1) (Nuclear factor NF-kappa-B inhibitor kinase alpha) (NFKBIKA) (Transcription factor 16) (TCF-16)"	"Protein kinase superfamily, Ser/Thr protein kinase family, I-kappa-B kinase subfamily"	CHUK	1147;	"Homo sapiens (Human)"	1.13222	43
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P48169	"Gamma-aminobutyric acid receptor subunit alpha-4 (GABA(A) receptor subunit alpha-4)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA4 sub-subfamily"	GABRA4	2557;	"Homo sapiens (Human)"	1.1302	44
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.12249	45
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P30939	"5-hydroxytryptamine receptor 1F (5-HT-1F) (5-HT1F) (Serotonin receptor 1F)"	"G-protein coupled receptor 1 family"	HTR1F	3355;	"Homo sapiens (Human)"	1.10784	46
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P35968	"Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal liver kinase 1) (FLK-1) (Kinase insert domain receptor) (KDR) (Protein-tyrosine kinase receptor flk-1) (CD antigen CD309)"	"Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily"	KDR	3791;	"Homo sapiens (Human)"	1.07879	47
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	1.07392	48
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	O14920	"Inhibitor of nuclear factor kappa-B kinase subunit beta (I-kappa-B-kinase beta) (IKK-B) (IKK-beta) (IkBKB) (EC 2.7.11.10) (I-kappa-B kinase 2) (IKK2) (Nuclear factor NF-kappa-B inhibitor kinase beta) (NFKBIKB)"	"Protein kinase superfamily, Ser/Thr protein kinase family, I-kappa-B kinase subfamily"	IKBKB	3551;	"Homo sapiens (Human)"	1.00546	49
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P30291	"Wee1-like protein kinase (WEE1hu) (EC 2.7.10.2) (Wee1A kinase)"	"Protein kinase superfamily, Ser/Thr protein kinase family, WEE1 subfamily"	WEE1	7465;	"Homo sapiens (Human)"	0.992563	50
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.960072	51
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q01959	"Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 member 3)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily"	SLC6A3	6531;	"Homo sapiens (Human)"	0.951313	52
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.946271	53
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.93973	54
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.926926	55
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	0.86053	56
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q9H3N8	"Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) (GPRv53) (Pfi-013) (SP9144)"	"G-protein coupled receptor 1 family"	HRH4	59340;	"Homo sapiens (Human)"	0.854835	57
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.85219	58
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.823794	59
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.822534	60
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.822206	61
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P00749	"Urokinase-type plasminogen activator (U-plasminogen activator) (uPA) (EC 3.4.21.73) [Cleaved into: Urokinase-type plasminogen activator long chain A; Urokinase-type plasminogen activator short chain A; Urokinase-type plasminogen activator chain B]"	"Peptidase S1 family"	PLAU	5328;	"Homo sapiens (Human)"	0.821013	62
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.818295	63
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P11309	"Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)"	"Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamily"	PIM1	5292;	"Homo sapiens (Human)"	0.816735	64
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	0.810956	65
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.809218	66
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P09917	"Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)"	"Lipoxygenase family"	ALOX5	240;	"Homo sapiens (Human)"	0.804576	67
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.793561	68
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P35270	"Sepiapterin reductase (SPR) (EC 1.1.1.153)"	"Sepiapterin reductase family"	SPR	6697;	"Homo sapiens (Human)"	0.777707	69
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P32239	"Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)"	"G-protein coupled receptor 1 family"	CCKBR	887;	"Homo sapiens (Human)"	0.776956	70
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P28715	"DNA repair protein complementing XP-G cells (EC 3.1.-.-) (DNA excision repair protein ERCC-5) (Xeroderma pigmentosum group G-complementing protein)"	"XPG/RAD2 endonuclease family, XPG subfamily"	ERCC5	2073;	"Homo sapiens (Human)"	0.773507	71
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q9UBN7	"Histone deacetylase 6 (HD6) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 2 subfamily"	HDAC6	10013;	"Homo sapiens (Human)"	0.76371	72
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P32238	"Cholecystokinin receptor type A (CCK-A receptor) (CCK-AR) (Cholecystokinin-1 receptor) (CCK1-R)"	"G-protein coupled receptor 1 family"	CCKAR	886;	"Homo sapiens (Human)"	0.759428	73
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P18825	"Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) (Alpha-2C adrenoceptor) (Alpha-2CAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamily"	ADRA2C	152;	"Homo sapiens (Human)"	0.75735	74
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P09874	"Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 1) (ARTD1) (DNA ADP-ribosyltransferase PARP1) (EC 2.4.2.-) (NAD(+) ADP-ribosyltransferase 1) (ADPRT 1) (Poly[ADP-ribose] synthase 1) (Protein poly-ADP-ribosyltransferase PARP1) (EC 2.4.2.-)"		PARP1	142;	"Homo sapiens (Human)"	0.756764	75
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q9NQS5	"G-protein coupled receptor 84 (Inflammation-related G-protein coupled receptor EX33)"	"G-protein coupled receptor 1 family"	GPR84	53831;	"Homo sapiens (Human)"	0.750242	76
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.729366	77
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.726222	78
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P00374	"Dihydrofolate reductase (EC 1.5.1.3)"	"Dihydrofolate reductase family"	DHFR	1719;	"Homo sapiens (Human)"	0.725426	79
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P06737	"Glycogen phosphorylase, liver form (EC 2.4.1.1)"	"Glycogen phosphorylase family"	PYGL	5836;	"Homo sapiens (Human)"	0.723613	80
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.719641	81
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P28336	"Neuromedin-B receptor (NMB-R) (Epididymis tissue protein Li 185a) (Neuromedin-B-preferring bombesin receptor)"	"G-protein coupled receptor 1 family"	NMBR	4829;	"Homo sapiens (Human)"	0.717723	82
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P08913	"Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) (Alpha-2A adrenoceptor) (Alpha-2AAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily"	ADRA2A	150;	"Homo sapiens (Human)"	0.711719	83
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P05093	"Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) (Cytochrome P450 17A1) (Cytochrome P450-C17) (Cytochrome P450c17) (Steroid 17-alpha-monooxygenase)"	"Cytochrome P450 family"	CYP17A1	1586;	"Homo sapiens (Human)"	0.710368	84
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P00746	"Complement factor D (EC 3.4.21.46) (Adipsin) (C3 convertase activator) (Properdin factor D)"	"Peptidase S1 family"	CFD	1675;	"Homo sapiens (Human)"	0.688432	85
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	0.687177	86
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	0.681168	87
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.678755	88
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.676847	89
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q92847	"Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) (GHRP) (Ghrelin receptor)"	"G-protein coupled receptor 1 family"	GHSR	2693;	"Homo sapiens (Human)"	0.665231	90
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.659473	91
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P22607	"Fibroblast growth factor receptor 3 (FGFR-3) (EC 2.7.10.1) (CD antigen CD333)"	"Protein kinase superfamily, Tyr protein kinase family, Fibroblast growth factor receptor subfamily"	FGFR3	2261;	"Homo sapiens (Human)"	0.656963	92
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	0.652384	93
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P61073	"C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) (LCR1) (Leukocyte-derived seven transmembrane domain receptor) (LESTR) (Lipopolysaccharide-associated protein 3) (LAP-3) (LPS-associated protein 3) (NPYRL) (Stromal cell-derived factor 1 receptor) (SDF-1 receptor) (CD antigen CD184)"	"G-protein coupled receptor 1 family"	CXCR4	7852;	"Homo sapiens (Human)"	0.65192	94
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P31391	"Somatostatin receptor type 4 (SS-4-R) (SS4-R) (SS4R)"	"G-protein coupled receptor 1 family"	SSTR4	6754;	"Homo sapiens (Human)"	0.650821	95
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	O00329	"Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3-kinase subunit delta) (PI3K-delta) (PI3Kdelta) (PtdIns-3-kinase subunit delta) (EC 2.7.1.153) (Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta) (PtdIns-3-kinase subunit p110-delta) (p110delta)"	"PI3/PI4-kinase family"	PIK3CD	5293;	"Homo sapiens (Human)"	0.646403	96
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	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)"	0.644244	97
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P29274	"Adenosine receptor A2a"	"G-protein coupled receptor 1 family"	ADORA2A	135;	"Homo sapiens (Human)"	0.64235	98
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	0.636605	99
1	Untitled	C1=CC=C2C(=C1)C3=CC=CC=C3N2	c1ccc2c(c1)[nH]c1c2cccc1	Q7Z2W7	"Transient receptor potential cation channel subfamily M member 8 (Long transient receptor potential channel 6) (LTrpC-6) (LTrpC6) (Transient receptor potential p8) (Trp-p8)"	"Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamily"	TRPM8	79054;	"Homo sapiens (Human)"	0.636575	100