"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	3.39891	1
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	3.3661	2
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	3.05033	3
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	2.6115	4
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	2.39849	5
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P47871	"Glucagon receptor (GL-R)"	"G-protein coupled receptor 2 family"	GCGR	2642;	"Homo sapiens (Human)"	2.3268	6
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	2.31922	7
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.18136	8
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	2.07202	9
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	2.0537	10
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P01275	"Glucagon [Cleaved into: Glicentin; Glicentin-related polypeptide (GRPP); Oxyntomodulin (OXM) (OXY); Glucagon; Glucagon-like peptide 1 (GLP-1) (Incretin hormone); Glucagon-like peptide 1(7-37) (GLP-1(7-37)); Glucagon-like peptide 1(7-36) (GLP-1(7-36)); Glucagon-like peptide 2 (GLP-2)]"	"Glucagon family"	GCG	2641;	"Homo sapiens (Human)"	1.95861	11
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P43166	"Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase VII) (CA-VII)"	"Alpha-carbonic anhydrase family"	CA7	766;	"Homo sapiens (Human)"	1.87849	12
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q14790	"Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) (CAP4) (FADD-homologous ICE/ced-3-like protease) (FADD-like ICE) (FLICE) (ICE-like apoptotic protease 5) (MORT1-associated ced-3 homolog) (MACH) [Cleaved into: Caspase-8 subunit p18; Caspase-8 subunit p10]"	"Peptidase C14A family"	CASP8	841;	"Homo sapiens (Human)"	1.86881	13
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P21731	"Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)"	"G-protein coupled receptor 1 family"	TBXA2R	6915;	"Homo sapiens (Human)"	1.71797	14
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.59382	15
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.56571	16
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.55427	17
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.54425	18
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.51015	19
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.49501	20
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.3993	21
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.39876	22
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.38249	23
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.37068	24
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.34304	25
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.30365	26
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.2607	27
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q13258	"Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)"	"G-protein coupled receptor 1 family"	PTGDR	5729;	"Homo sapiens (Human)"	1.24295	28
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.22599	29
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q12908	"Ileal sodium/bile acid cotransporter (Apical sodium-dependent bile acid transporter) (ASBT) (Ileal Na(+)/bile acid cotransporter) (Ileal sodium-dependent bile acid transporter) (IBAT) (ISBT) (Na(+)-dependent ileal bile acid transporter) (Sodium/taurocholate cotransporting polypeptide, ileal) (Solute carrier family 10 member 2)"	"Bile acid:sodium symporter (BASS) (TC 2.A.28) family"	SLC10A2	6555;	"Homo sapiens (Human)"	1.20441	30
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P00734	"Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide fragment 1; Activation peptide fragment 2; Thrombin light chain; Thrombin heavy chain]"	"Peptidase S1 family"	F2	2147;	"Homo sapiens (Human)"	1.17786	31
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.16772	32
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.15226	33
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.13909	34
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.11606	35
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	1.08547	36
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P06756	"Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen CD51) [Cleaved into: Integrin alpha-V heavy chain; Integrin alpha-V light chain]"	"Integrin alpha chain family"	ITGAV	3685;	"Homo sapiens (Human)"	1.05859	37
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	1.04924	38
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P39900	"Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix metalloproteinase-12) (MMP-12)"	"Peptidase M10A family"	MMP12	4321;	"Homo sapiens (Human)"	1.04076	39
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P25774	"Cathepsin S (EC 3.4.22.27)"	"Peptidase C1 family"	CTSS	1520;	"Homo sapiens (Human)"	0.998325	40
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	0.979681	41
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q9ULX7	"Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase XIV) (CA-XIV)"	"Alpha-carbonic anhydrase family"	CA14	23632;	"Homo sapiens (Human)"	0.969915	42
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	O75388	"Probable G-protein coupled receptor 32"	"G-protein coupled receptor 1 family"	GPR32	2854;	"Homo sapiens (Human)"	0.969513	43
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	Q8TDS5	"Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor 170) (G-protein coupled receptor R527) (G-protein coupled receptor TG1019)"	"G-protein coupled receptor 1 family"	OXER1	165140;	"Homo sapiens (Human)"	0.964356	44
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=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)"	0.957553	45
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P48067	"Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier family 6 member 9)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamily"	SLC6A9	6536;	"Homo sapiens (Human)"	0.95383	46
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	0.950707	47
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	P00797	"Renin (EC 3.4.23.15) (Angiotensinogenase)"	"Peptidase A1 family"	REN	5972;	"Homo sapiens (Human)"	0.943585	48
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	0.938467	49
1	Untitled	[O-]S(=O)(CCNC(C)=O)=O	CC(=O)NCCS(=O)(=O)[O-]	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)"	0.927368	50