"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	4.21374	1
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	2.78149	2
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	2.70562	3
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P04150	"Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	NR3C1	2908;	"Homo sapiens (Human)"	2.6969	4
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	2.57366	5
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.49806	6
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	2.32482	7
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	2.252	8
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	9
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.2246	10
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P49768	"Presenilin-1 (PS-1) (EC 3.4.23.-) (Protein S182) [Cleaved into: Presenilin-1 NTF subunit; Presenilin-1 CTF subunit; Presenilin-1 CTF12 (PS1-CTF12)]"	"Peptidase A22A family"	PSEN1	5663;	"Homo sapiens (Human)"	2.19889	11
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	2.19719	12
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.08485	13
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	2.07614	14
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.80913	15
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.7993	16
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	1.78695	17
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.76377	18
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.76322	19
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.68756	20
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.67829	21
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.64912	22
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	O95822	"Malonyl-CoA decarboxylase, mitochondrial (MCD) (EC 4.1.1.9)"		MLYCD	23417;	"Homo sapiens (Human)"	1.64713	23
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	1.62646	24
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	1.59691	25
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.55875	26
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.55046	27
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.54591	28
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	29
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q14416	"Metabotropic glutamate receptor 2 (mGluR2)"	"G-protein coupled receptor 3 family"	GRM2	2912;	"Homo sapiens (Human)"	1.46401	30
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.45999	31
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	1.44154	32
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q13304	"Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)"	"G-protein coupled receptor 1 family"	GPR17	2840;	"Homo sapiens (Human)"	1.40959	33
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	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)"	1.3964	34
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.38465	35
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.32447	36
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P06401	"Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member 3)"	"Nuclear hormone receptor family, NR3 subfamily"	PGR	5241;	"Homo sapiens (Human)"	1.29366	37
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.26631	38
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.24445	39
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.23466	40
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.22375	41
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.21658	42
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.21309	43
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.21262	44
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P29144	"Tripeptidyl-peptidase 2 (TPP-2) (EC 3.4.14.10) (Tripeptidyl aminopeptidase) (Tripeptidyl-peptidase II) (TPP-II)"	"Peptidase S8 family"	TPP2	7174;	"Homo sapiens (Human)"	1.20997	45
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P11597	"Cholesteryl ester transfer protein (Lipid transfer protein I)"	"BPI/LBP/Plunc superfamily, BPI/LBP family"	CETP	1071;	"Homo sapiens (Human)"	1.20621	46
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)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)"	1.20034	47
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P56817	"Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) (Beta-site amyloid precursor protein cleaving enzyme 1) (Beta-site APP cleaving enzyme 1) (Memapsin-2) (Membrane-associated aspartic protease 2)"	"Peptidase A1 family"	BACE1	23621;	"Homo sapiens (Human)"	1.19704	48
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.19221	49
1	Untitled	COP(=O)(OC)OC(C(Cl)(Cl)Br)Br	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	P35354	"Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) (Prostaglandin H2 synthase 2) (PGH synthase 2) (PGHS-2) (Prostaglandin-endoperoxide synthase 2)"	"Prostaglandin G/H synthase family"	PTGS2	5743;	"Homo sapiens (Human)"	1.14007	50