"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	O15229	"Kynurenine 3-monooxygenase (EC 1.14.13.9) (Kynurenine 3-hydroxylase)"	"Aromatic-ring hydroxylase family, KMO subfamily"	KMO	8564;	"Homo sapiens (Human)"	3.62551	1
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	3.1673	2
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P21731	"Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)"	"G-protein coupled receptor 1 family"	TBXA2R	6915;	"Homo sapiens (Human)"	2.92803	3
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	2.05559	4
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	2.05224	5
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q9NPC1	"Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) (Leukotriene B4 receptor BLT2) (Seven transmembrane receptor BLTR2)"	"G-protein coupled receptor 1 family"	LTB4R2	56413;	"Homo sapiens (Human)"	2.01122	6
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.93099	7
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P35408	"Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 receptor EP4 subtype) (Prostanoid EP4 receptor)"	"G-protein coupled receptor 1 family"	PTGER4	5734;	"Homo sapiens (Human)"	1.86353	8
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P31213	"3-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) (Steroid 5-alpha-reductase 2) (S5AR 2) (Type II 5-alpha reductase)"	"Steroid 5-alpha reductase family"	SRD5A2	6716;	"Homo sapiens (Human)"	1.84252	9
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P24557	"Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)"	"Cytochrome P450 family"	TBXAS1	6916;	"Homo sapiens (Human)"	1.70137	10
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q02127	"Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)"	"Dihydroorotate dehydrogenase family, Type 2 subfamily"	DHODH	1723;	"Homo sapiens (Human)"	1.68137	11
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.67931	12
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P50579	"Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation factor 2-associated 67 kDa glycoprotein) (p67) (p67eIF2) (Peptidase M)"	"Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamily"	METAP2	10988;	"Homo sapiens (Human)"	1.67197	13
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.61858	14
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.5964	15
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.57785	16
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.54409	17
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.53131	18
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.52507	19
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q01469	"Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty acid-binding protein, epidermal) (Psoriasis-associated fatty acid-binding protein homolog) (PA-FABP)"	"Calycin superfamily, Fatty-acid binding protein (FABP) family"	FABP5	2171;	"Homo sapiens (Human)"	1.49148	20
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P13631	"Retinoic acid receptor gamma (RAR-gamma) (Nuclear receptor subfamily 1 group B member 3)"	"Nuclear hormone receptor family, NR1 subfamily"	RARG	5916;	"Homo sapiens (Human)"	1.46723	21
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q04609	"Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) (Folate hydrolase 1) (Folylpoly-gamma-glutamate carboxypeptidase) (FGCP) (Glutamate carboxypeptidase II) (GCPII) (Membrane glutamate carboxypeptidase) (mGCP) (N-acetylated-alpha-linked acidic dipeptidase I) (NAALADase I) (Prostate-specific membrane antigen) (PSM) (PSMA) (Pteroylpoly-gamma-glutamate carboxypeptidase)"	"Peptidase M28 family, M28B subfamily"	FOLH1	2346;	"Homo sapiens (Human)"	1.46241	22
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P10826	"Retinoic acid receptor beta (RAR-beta) (HBV-activated protein) (Nuclear receptor subfamily 1 group B member 2) (RAR-epsilon)"	"Nuclear hormone receptor family, NR1 subfamily"	RARB	5915;	"Homo sapiens (Human)"	1.46197	23
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q13258	"Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)"	"G-protein coupled receptor 1 family"	PTGDR	5729;	"Homo sapiens (Human)"	1.40885	24
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P30556	"Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) (AT1)"	"G-protein coupled receptor 1 family"	AGTR1	185;	"Homo sapiens (Human)"	1.36751	25
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q8TDS4	"Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled receptor HM74A) (Niacin receptor 1) (Nicotinic acid receptor)"	"G-protein coupled receptor 1 family"	HCAR2	338442;	"Homo sapiens (Human)"	1.35035	26
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P00374	"Dihydrofolate reductase (EC 1.5.1.3)"	"Dihydrofolate reductase family"	DHFR	1719;	"Homo sapiens (Human)"	1.3037	27
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.28448	28
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P41180	"Extracellular calcium-sensing receptor (CaR) (CaSR) (hCasR) (Parathyroid cell calcium-sensing receptor 1) (PCaR1)"	"G-protein coupled receptor 3 family"	CASR	846;	"Homo sapiens (Human)"	1.281	29
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	O75388	"Probable G-protein coupled receptor 32"	"G-protein coupled receptor 1 family"	GPR32	2854;	"Homo sapiens (Human)"	1.18093	30
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P29466	"Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting enzyme) (ICE) (IL-1 beta-converting enzyme) (p45) [Cleaved into: Caspase-1 subunit p20; Caspase-1 subunit p10]"	"Peptidase C14A family"	CASP1	834;	"Homo sapiens (Human)"	1.16584	31
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.15927	32
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.14377	33
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P10276	"Retinoic acid receptor alpha (RAR-alpha) (Nuclear receptor subfamily 1 group B member 1)"	"Nuclear hormone receptor family, NR1 subfamily"	RARA	5914;	"Homo sapiens (Human)"	1.13586	34
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.09967	35
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P37231	"Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group C member 3)"	"Nuclear hormone receptor family, NR1 subfamily"	PPARG	5468;	"Homo sapiens (Human)"	1.07745	36
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.07591	37
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.05297	38
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.04951	39
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P12104	"Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty acid-binding protein) (I-FABP)"	"Calycin superfamily, Fatty-acid binding protein (FABP) family"	FABP2	2169;	"Homo sapiens (Human)"	1.03032	40
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.02869	41
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P08473	"Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) (Enkephalinase) (Neutral endopeptidase 24.11) (NEP) (Neutral endopeptidase) (Skin fibroblast elastase) (SFE) (CD antigen CD10)"	"Peptidase M13 family"	MME	4311;	"Homo sapiens (Human)"	1.01902	42
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.017	43
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P42574	"Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein Yama) (SREBP cleavage activity 1) (SCA-1) [Cleaved into: Caspase-3 subunit p17; Caspase-3 subunit p12]"	"Peptidase C14A family"	CASP3	836;	"Homo sapiens (Human)"	1.01102	44
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	1.00875	45
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P15090	"Fatty acid-binding protein, adipocyte (Adipocyte lipid-binding protein) (ALBP) (Adipocyte-type fatty acid-binding protein) (A-FABP) (AFABP) (Fatty acid-binding protein 4)"	"Calycin superfamily, Fatty-acid binding protein (FABP) family"	FABP4	2167;	"Homo sapiens (Human)"	0.996666	46
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	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)"	0.978723	47
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	Q07869	"Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group C member 1)"	"Nuclear hormone receptor family, NR1 subfamily"	PPARA	5465;	"Homo sapiens (Human)"	0.965773	48
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P50052	"Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2)"	"G-protein coupled receptor 1 family"	AGTR2	186;	"Homo sapiens (Human)"	0.965052	49
1	Untitled	CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C	CCCc1oc(c(c1C)C(=O)O)CCC(=O)O	P42330	"Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase type 5) (17-beta-HSD 5) (3-alpha-HSD type II, brain) (3-alpha-hydroxysteroid dehydrogenase type 2) (3-alpha-HSD type 2) (EC 1.1.1.357) (Chlordecone reductase homolog HAKRb) (Dihydrodiol dehydrogenase 3) (DD-3) (DD3) (Dihydrodiol dehydrogenase type I) (HA1753) (Indanol dehydrogenase) (EC 1.1.1.112) (Prostaglandin F synthase) (PGFS) (EC 1.1.1.188) (Testosterone 17-beta-dehydrogenase 5) (EC 1.1.1.239) (EC 1.1.1.64) (Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase) (EC 1.3.1.20)"	"Aldo/keto reductase family"	AKR1C3	8644;	"Homo sapiens (Human)"	0.958566	50