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It is functionally related to a diethylamine. | It has a role as a chromatographic reagent. | 0 |
Maltohexaose is a maltohexaose hexasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. | It has a role as an Escherichia coli metabolite. | 0 |
It has a role as a volatile oil component and a plant metabolite. | It is a cadinane sesquiterpenoid, a carbobicyclic compound, a tertiary alcohol and a member of octahydronaphthalenes. | 0 |
Picloram is a pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. | It has a role as a herbicide and a synthetic auxin. | 0 |
It is a triglyceride and a hexanoate ester. | Tricaproin is a triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid. | 0 |
It has a role as a human metabolite and a plant metabolite. | It derives from a hydride of a cyclopentane. | 0 |
Beta-D-Gal-(1->4)-beta-D-Glc-OMe is a methyl glycoside comprising methyl beta-D-glucoside having an beta-D-galactosyl residue at the 4-position. | It is functionally related to a beta-lactose. | 0 |
It contains a peroxy group. | Peroxides is compounds of structure ROOR'. | 0 |
Parathion-methyl is a C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. | It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, a genotoxin, an environmental contaminant and an antifungal agent. | 0 |
D-arabinitol is the D-enantiomer of arabinitol. | It is an enantiomer of a L-arabinitol. | 0 |
It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, a neuroprotective agent and a cholinergic drug. | Rivastigmine is a carbamate ester obtained by formal condensation of the carboxy group of ethyl(methyl)carbamic acid with the phenolic OH group of 3-[(1S)-1-(dimethylamino)ethyl]phenol. | 0 |
It has a role as a food acidity regulator. | Ammonium hydroxide is a solution of ammonia in water. | 0 |
It is an intermediate involved in the glycine and serine metabolism. | It is a 2-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid and a primary alpha-hydroxy ketone. | 0 |
It is a member of pyridines, a tertiary amino compound and a N-substituted diamine. | It has a role as a chelator, an apoptosis inducer and a copper chelator. | 0 |
It has a role as an anti-inflammatory drug. | Fluorometholone acetate is a steroid ester resulting from the formal condensation of the 17-hydroxy function of fluorometholone with acetic acid. | 0 |
It derives from a hydride of a (R)-isoflavan. | It is a member of hydroxyisoflavans and a methoxyisoflavan. | 0 |
2-acetamidophenol is a member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | It has a role as a platelet aggregation inhibitor, an anti-inflammatory agent, a xenobiotic metabolite, an apoptosis inducer, an antineoplastic agent and an antirheumatic drug. | 0 |
Gamma-CEHC is a benzopyran. | It has a role as an antioxidant. | 0 |
It is a conjugate base of a peonidin 3-O-beta-D-glucoside. | It is the major microspecies at pH 7.3. | 0 |
2-deoxy-2,3-dehydro-N-acetylneuraminic acid is n-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2; it is a minor component of body fluids although abundant in sialuria. | It is a conjugate acid of a 2-deoxy-2,3-dehydro-N-acetylneuraminate. | 0 |
Beta-alanyl-L-arginine is a dipeptide. | It is a conjugate base of a beta-alanyl-L-argininium. | 0 |
It has a role as a poison. | It contains an arsenate(2-). | 0 |
It has a role as a human metabolite and a mouse metabolite. | Carnitine is an amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. | 0 |
It is a terminal acetylenic compound, a volatile organic compound and a propynol. | It has a role as a Saccharomyces cerevisiae metabolite and an antifungal agent. | 0 |
5-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 5-position. | It is an omega-oxo fatty acid, an aldehydic acid and an oxopentanoic acid. | 0 |
It is functionally related to a propionic acid. | It has a role as an Escherichia coli metabolite. | 0 |
It has a role as a fungal metabolite, an EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor, an antifungal agent, a Penicillium metabolite and an apoptosis inducer. | Mevastatin is a carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. | 0 |
It has a role as a cyclooxygenase 2 inhibitor and an antineoplastic agent. | A selective cyclooxygenase 2 inhibitor, it exhibits anticancer property. | 0 |
It is a straight-chain saturated fatty acid and a medium-chain fatty acid. | It is a conjugate acid of a hexanoate. | 0 |
It is functionally related to a N,N-diisopropyltryptamine and a 5-methoxytryptamine. | 5-methoxy-N,N-diisopropyltryptamine is a member of tryptamines. | 0 |
It has a role as a prosthetic group. | It is a conjugate acid of a D-pantetheine 4'-phosphate(2-). | 0 |
It is an oxopurine and a member of propane-1,2-diols. | It is also an ingredient in preparations that have been promoted for coughs. | 0 |
It is functionally related to a dihydroxyacetone. | Glycerone sulfate is a carbohydrate sulfate and a primary alpha-hydroxy ketone. | 0 |
It is an enantiomer of a (4S)-limonene. | (4R)-limonene is an optically active form of limonene having (4R)-configuration. | 0 |
It contains a dithionite(2-). | It has a role as a reducing agent and a bleaching agent. | 0 |
2-(chloromethyl)-4,5-dihydroimidazole is an imidazoline that is 4,5-dihydroimidazole bearing a chloromethyl substituent at position 2. | It is a member of imidazolines and an organochlorine compound. | 0 |
Orotic acid is a pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. | It is a conjugate acid of an orotate. | 0 |
It has a role as a plant metabolite. | It is an Aspidosperma alkaloid, an organic heteropentacyclic compound, an acetate ester, a methyl ester, a tertiary amino compound and an enamine. | 0 |
It has a role as a Saccharomyces cerevisiae metabolite. | It is functionally related to a decanoic acid and a propan-1-ol. | 0 |
Ethyl arachidate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidic (icosanoic) acid with the hydroxy group of ethanol. | It is functionally related to an icosanoic acid. | 0 |
LY 117018 is a member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group. | It has a role as an estrogen receptor antagonist, an estrogen receptor modulator and a bone density conservation agent. | 0 |
It is a 7-hydroxyflavonol and a dihydroxyflavone. | 6-(3,3-dimethylallyl)chrysin is a dihydroxyflavone that is chrysin substituted by a prenyl group at position 6. | 0 |
D-lysine hydrochloride is the hydrochloride salt of D-lysine. | It contains a D-lysine. | 0 |
It is functionally related to a L-gulonic acid. | It is a conjugate acid of a 3-dehydro-L-gulonate. | 0 |
1,1,2-Trichlorotrifluoroethane is a chlorofluorocarbon and a haloalkane. | It has a role as a refrigerant and a NMR solvent. | 0 |
It has a role as a metabolite. | Dihydrodaidzein is a hydroxyisoflavanone that is isoflavanone carrying two hydroxy substituents located at positions 4' and 7. | 0 |
It is functionally related to an acridone. | 2-Aminoacridone is a member of acridines. | 0 |
Arugosin C is an organic heterotetracyclic compound that is 1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one substituted by a hydroxy group at position 8, a 2-hydroxypropan-2-yl group at position 1, a methyl group at position 4 and a prenyl group at position 9. | It has a role as a hepatitis C protease inhibitor and an Aspergillus metabolite. | 0 |
3-nitropropan-1-ol is the nitro compound formed from propan-1-ol by nitration at C-3. | It is functionally related to a propan-1-ol. | 0 |
Tat-BP is a N-acetyl-beta-D-glycosaminyl glycopeptide. | It is a conjugate acid of a tat-BP(2-). | 0 |
It has a role as an explosive. | 3,4-dinitrotoluene is a dinitrotoluene in which the methyl group is meta to one of the nitro groups and para to the other. | 0 |
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid is a 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration. | It is an enantiomer of a (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid. | 0 |
Hexadecane-1-sulfonyl fluoride is an acyl fluoride. | It is functionally related to a hexadecane-1-sulfonic acid. | 0 |
2,4-dinitrophenol is a dinitrophenol having the nitro groups at the 2- and 4-positions. | It is a conjugate acid of a 2,4-dinitrophenol(1-). | 0 |
It has a role as an immunomodulator and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. | It is a member of morpholines, a member of pyrazoles, a member of naphthalenes, a member of ureas and an aromatic ether. | 0 |
It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine. | N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. | 0 |
It has a role as a human metabolite. | 2-(4-methyl-1-piperazinyl)ethanamine is a N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively. | 0 |
It is functionally related to a hexadecanoic acid. | 1-monopalmitoylglycerol is a 1-monoglyceride that has palmitoyl as the acyl group. | 0 |
It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. | Solanapyrone A is a solanapyrone, a pyrancarbaldehyde and a member of octahydronaphthalenes. | 0 |
It is a conjugate acid of a FADH2(2-). | It has a role as an Escherichia coli metabolite and a mouse metabolite. | 0 |
It is a natural product isolated from several plant species and exhibits anti-cancer and anti-malarial properties. | Glaucarubinone is a quassinoid with formula C25H34O10. | 0 |
Sulforhodamine G is an organic sodium salt and a xanthene dye. | It has a role as a fluorochrome. | 0 |
It is a L-histidine derivative, a N-acetylhistidine and a N-acetyl-L-amino acid. | It has a role as an animal metabolite. | 0 |
It has a role as an antiviral drug, an antimetabolite, an EC 2.1.1.45 (thymidylate synthase) inhibitor and an antineoplastic agent. | It is a nucleoside analogue, an organofluorine compound and a pyrimidine 2'-deoxyribonucleoside. | 0 |
Dodecanoic acid is a straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. | It derives from a hydride of a dodecane. | 0 |
It is a conjugate acid of a 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate. | It has a role as a human metabolite. | 0 |
PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division, inactivation of which interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity, resulting in the weakening of the bacterial cell wall and causing cell lysis. | It has a role as an antibacterial drug. | 0 |
Lansoprazole is a member of benzimidazoles, a member of pyridines and a sulfoxide. | It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. | 0 |
It is functionally related to a N-benzoylglycine. | 2-[(4-methoxyphenyl)formamido]acetic acid is a N-acylglycine. | 0 |
It has a role as a human metabolite, an antioxidant, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a glycine receptor agonist, a nutrient and a radical scavenger. | An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension. | 0 |
It is a secondary carboxamide, a member of benzamides, a sulfonamide and a member of benzenes. | It is a potent inhibitor of carbonic anhydrase II. | 0 |
It is a carcinogenic and mutagenic derivative of fluorene. | It derives from a hydride of a fluorene. | 0 |
Thaxtomin A is an organooxygen compound and an organonitrogen compound. | It is functionally related to an alpha-amino acid. | 0 |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane-5-carboxylic acid is a 12alpha-hydroxy steroid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a hydroxy monocarboxylic acid and a cholestanoic acid. | It has a role as a human metabolite. | 0 |
It has a role as an oxidising agent, an environmental contaminant and a Mycoplasma genitalium metabolite. | It derives from a hydride of a cumene. | 0 |
It is an enantiomer of a (1R,2S)-tranylcypromine(1+). | It is a conjugate acid of a (1S,2R)-tranylcypromine. | 0 |
It is a bile acid, a monohydroxy-5beta-cholanic acid, an oxo-5beta-cholanic acid and a 3alpha-hydroxy steroid. | It is functionally related to a lithocholic acid. | 0 |
It is a D-alpha-amino acid and a histidine. | It is a tautomer of a D-histidine zwitterion. | 0 |
It is a conjugate acid of a 3-ammonio-2-oxopropyl phosphate(1-). | 3-amino-2-oxopropyl phosphate is a oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group. | 0 |
Periciazine is a first generation antipsychotic. | It derives from a hydride of a 10H-phenothiazine. | 0 |
It is a member of guaiacols and a member of benzyl alcohols. | Vanillyl alcohol is a monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. | 0 |
It is functionally related to a D-ribose. | It has a role as a metabolite. | 0 |
It has a role as a metabolite. | 6-n-Pentyl-alpha-pyrone is a member of 2-pyranones. | 0 |
It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a medium-chain fatty acid. | It is functionally related to an undecanoic acid. | 0 |
It is a lignan, a dimethoxybenzene, a furofuran and a polyphenol. | (-)-medioresinol is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. | 0 |
It is a sulfonamide, a member of 1,3-thiazoles, a dicarboxylic acid monoamide and a sulfonamide antibiotic. | Phthalylsulfathiazole is a sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery. | 0 |
It has a role as a human metabolite. | It is a conjugate base of a hydrogen iodide. | 0 |
1-phenylpyrazole is a member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. | It derives from a hydride of a 1H-pyrazole. | 0 |
It is a thymidine phosphate and a pyrimidine 2',3'-dideoxyribonucleoside 5'-triphosphate. | DdTTP is a pyrimidine 2',3'-dideoxyribonucleoside 5'-triphosphate having thymine as the nucleobase. | 0 |
2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 5'. | It is functionally related to a flavone. | 0 |
It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. | It is functionally related to a (S)-naringenin. | 0 |
It is a nitrile, a member of triazoles and a member of monochlorobenzenes. | 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile is a nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups. | 0 |
It is a gamma-lactone, an aromatic ether, a member of phenols, an organic heterotetracyclic compound and a tetracyclic triterpenoid. | Neotriptophenolide is a tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum It has a role as a plant metabolite. | 0 |
It is a tricarboxylic acid and a non-proteinogenic L-alpha-amino acid. | It is a tautomer of a gamma-carboxy-L-glutamic acid zwitterion. | 0 |
It is an enantiomer of a (R)-butane-1,3-diol. | (S)-butane-1,3-diol is a butane-1,3-diol of S-configuration. | 0 |
It has a role as a persistent organic pollutant. | Now classed as a persistent organic pollutant under the Stockholm Convention. | 0 |
It has a role as a c-Jun N-terminal kinase inhibitor. | It is an aminopyrimidine, a piperidinylimidazole, a dichlorobenzene, a member of cyclopropanes and a tertiary amino compound. | 0 |
It has a role as a human metabolite. | It is a tautomer of a neurotensin (1-8) dizwitterion. | 0 |
It is a monoamino-1,3,5-triazine and an aromatic ether. | It has a role as a marine xenobiotic metabolite. | 0 |
It has a role as a radioopaque medium and a fluorescent dye. | It is a xanthene dye, a member of benzoic acids, a hydroxy monocarboxylic acid, a cyclic ketone, a member of phenols and an organic heterotricyclic compound. | 0 |
Subsets and Splits