Compounds > trinitrotoluene
Page last updated: 2024-09-21

trinitrotoluene

Description

Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID8376
CHEMBL ID1236345
CHEBI ID46053
SCHEMBL ID20676
SCHEMBL ID12305492
MeSH IDM0022005

Synonyms (80)

Synonym
CHEMBL1236345
s-trinitrotoluene
tolite
wln: wnr b1 cnw enw
2,6-trinitrotoluene
2,6-trinitrotoluol
nsc-36949
2-methyl-1,5-trinitrobenzene
nsc36949
TNT ,
trinitrotoluene
nci-c56155
trojnitrotoluen
trinitrotoluene, dry
toluene,4,6-trinitro- (wet)
tnt-tolite
tritol
.alpha.-tnt
s-trinitrotoluol
trinitrotoluene, wet
118-96-7
2,6-trinitrotolueen
trotyl
2-methyl-1,3,5-trinitrobenzene
trinitrotoluol
alpha-trinitrotoluol
1-methyl-2,4,6-trinitrotoluene
trilit
sym-trinitrotoluol
sym-trinitrotoluene
benzene, 2-methyl-1,3,5-trinitro-
toluene, 2,4,6-trinitro-
2,4,6-trinitrotoluene
TNL ,
trinitrotoluen
CHEBI:46053 ,
2,4,6-tnt
2,4,6-trinitrotoluol
alpha-tnt
DB01676
nsc 36949
tnt-tolite [french]
un1356
1-methyl-2,4,6-trinitrobenzene
gradetol
trinitrotoluene or tnt, dry or wetted with < 30% water, by mass
trojnitrotoluen [polish]
hsdb 1146
einecs 204-289-6
tolit
2,4,6-trinitrotolueen [dutch]
un0209
tritol (explosive)
ccris 1299
2,4,6-trinitrotoluol [german]
2,4,6-trinitritoluene
AKOS001092689
h43rf5trm5 ,
trinitrotoluene or tnt, dry or wetted with <30% water, by mass
trinitrotoluene, wetted with not <30% water, by mass
ec 204-289-6
trinitrotoluene, wetted with not <30% water, by mass [un1356] [flammable solid]
trinitrotoluene or tnt, dry or wetted with <30% water, by mass [un0209] [explosive 1.1d]
unii-h43rf5trm5
2,4,6-trinitrotolueen
trinitrotoluene, 2,4,6-
2,4,6-trinitrotoluene [mi]
trinitrotoluene [hsdb]
2,4,6-trinitrotoluene [iarc]
SCHEMBL20676
un 0209 (salt/mix)
un 1356 (salt/mix)
SCHEMBL12305492
DTXSID7024372 ,
2,4,6-trinitrotoluene (tnt) 10 microg/ml in cyclohexane
2,4,6-trinitrotoluene (tnt) 100 microg/ml in cyclohexane
Z57056414
2,4,6-trinitro-toluene
Q170167
2,4,6-trinitrotoluene (tnt) 1000 microg/ml in acetonitrile:methanol

Research Excerpts

Overview

ExcerptReference
"Trinitrotoluene (TNT) is an explosive chemical generally used for military, civil and industrial purposes. "( Chen, SC; Chien, CC; Kao, CM; Ma, C; Wei, SF; Yao, CL, 2018)
"Trinitrotoluene (TNT) is a widely used explosive in landmines and military operations that contaminates the environment and groundwater, posing a threat to human health."( Ajayaghosh, A; Babu, SS; Kartha, KK; Srinivasan, S, 2012)
"TNT (trinitrotoluene) is a contaminant of global environmental significance, yet determining its environmental fate has posed longstanding challenges. "( Derito, C; Madsen, EL; McKay, AJ; Thorn, KA; Watanabe, C; Weiss, JM, 2004)

Treatment

ExcerptReference
"We treated 2,4,6-trinitrotoluene (TNT) red water from the Chinese explosive industry with activated coke (AC) from lignite. "( Ye, Z; Zhang, M; Zhao, Q, 2011)

Roles (1)

RoleDescription
explosiveA substance capable of undergoing rapid and highly exothermic decomposition.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
trinitrotoluene
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (1)

trinitrotoluene is involved in 1 pathway(s), involving a total of 5 unique proteins and 26 unique compounds

PathwayProteinsCompounds
2,4,6-trinitrotoluene degradation39
2,4,6-trinitrotoluene degradation217

Bioassays (3)

Assay IDTitleYearJournalArticle
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (1,188)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990177 (14.90)18.7374
1990's112 (9.43)18.2507
2000's437 (36.78)29.6817
2010's372 (31.31)24.3611
2020's90 (7.58)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews40 (3.15%)6.00%
Case Studies11 (0.87%)4.05%
Observational1 (0.08%)0.25%
Other1,216 (95.90%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
acetic acid[no description available]medium20monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetamide[no description available]medium10acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
adenine[no description available]medium106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoin[no description available]medium10imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
quinacrine[no description available]medium20acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine[no description available]medium10amino-acid betaine;
glycine derivative		fundamental metabolite
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
citric acid, anhydrous[no description available]medium20tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
lactic acid[no description available]medium302-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
dimethyl sulfoxide[no description available]medium40sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine[no description available]medium10alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol[no description available]medium50alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
hydroquinone[no description available]medium10benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
inositol[no description available]medium10cyclitol;
hexol
niacinamide[no description available]medium30pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
phenol[no description available]medium10phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenylacetic acid[no description available]medium10benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxal phosphate[no description available]medium10methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine[no description available]medium20hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uracil[no description available]medium10pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
urea[no description available]medium60isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
catechin[no description available]medium10hydroxyflavan
menthol[no description available]medium10p-menthane monoterpenoid;
secondary alcohol		volatile oil component
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium10aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium10acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alfuzosin[no description available]medium10monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxol[no description available]medium10aromatic amine
aminoglutethimide[no description available]medium10dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
pimagedine[no description available]medium20guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline[no description available]medium10dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium101-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium10carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amobarbital[no description available]medium10barbiturates
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anethole trithione[no description available]medium10methoxybenzenes
anthralin[no description available]medium10anthracenesantipsoriatic
aspirin[no description available]medium20benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
barbital[no description available]medium10barbituratesdrug allergen
bendazac[no description available]medium10indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromisovalum[no description available]medium10N-acylurea;
organobromine compound
brotizolam[no description available]medium10organic molecular entity
bumetanide[no description available]medium10amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
buspirone[no description available]medium10azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butalbital[no description available]medium10barbituratesanalgesic;
sedative
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan cilexetil[no description available]medium10biphenyls
carbamazepine[no description available]medium10dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carisoprodol[no description available]medium10carbamate estermuscle relaxant
carmustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
carvedilol[no description available]medium10carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium10ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chloral hydrate[no description available]medium10aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide[no description available]medium10benzodiazepine
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium20organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cimetidine[no description available]medium10aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
ciprofloxacin[no description available]medium10aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride[no description available]medium10benzamides
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
clonidine[no description available]medium10clonidine;
imidazoline
clotiazepam[no description available]medium10organic molecular entity
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cyclandelate[no description available]medium10carboxylic ester;
secondary alcohol		vasodilator agent
cyproheptadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferoxamine[no description available]medium10acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
amphetamine[no description available]medium10primary amine
eflornithine[no description available]medium10alpha-amino acid;
fluoroamino acid		trypanocidal drug
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
diclofenac[no description available]medium10amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
ddt[no description available]medium50benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium10branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxepin[no description available]medium10dibenzooxepine;
tertiary amino compound		antidepressant
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
econazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
enflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		anaesthetic
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
estazolam[no description available]medium10triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flunitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
fomepizole[no description available]medium10pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
furosemide[no description available]medium30chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glafenine[no description available]medium10aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glutethimide[no description available]medium10piperidines
glyburide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
gossypol[no description available]medium10
guaiazulene[no description available]medium10sesquiterpene
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hexestrol[no description available]medium10stilbenoid
hexetidine[no description available]medium10organic heteromonocyclic compound;
organonitrogen heterocyclic compound
hexobarbital[no description available]medium10barbiturates
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
alverine[no description available]medium10tertiary amineantispasmodic drug
idebenone[no description available]medium101,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium20aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
iohexol[no description available]medium10benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iodipamide[no description available]medium10benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
iproniazid[no description available]medium10carbohydrazide;
pyridines
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
2-propanol[no description available]medium10secondary alcohol;
secondary fatty alcohol		protic solvent
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoxsuprine[no description available]medium10alkylbenzene
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium10piperazines
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium10aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
labetalol[no description available]medium10benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
malathion[no description available]medium10diester;
ethyl ester;
organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate[no description available]medium10isopropyl ester
mazindol[no description available]medium10organic molecular entity
mebendazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclizine[no description available]medium10diarylmethane
meclofenoxate[no description available]medium10monocarboxylic acid
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium10benzenes;
diarylmethane;
ketone;
tertiary amino compound
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxyflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
methyprylon[no description available]medium10organic molecular entity
metoclopramide[no description available]medium10benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium30C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
midazolam[no description available]medium10imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium10benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil[no description available]medium10monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium10monoterpenoid
deet[no description available]medium10benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone[no description available]medium10aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
niceritrol[no description available]medium10organic molecular entity
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitroglycerin[no description available]high220nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
masoprocol[no description available]medium10catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium10carbazoles
orphenadrine[no description available]medium10ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxethazaine[no description available]medium10amino acid amide
oxprenolol[no description available]medium10aromatic ether
oxybenzone[no description available]medium10hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
oxyphenbutazone[no description available]medium10phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pemoline[no description available]medium101,3-oxazolescentral nervous system stimulant
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium10oxopurine
perazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium20barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium10phenols
phenoxybenzamine[no description available]medium10aromatic amine
phenylbutazone[no description available]medium20pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
pinacidil[no description available]medium10pyridines
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piperazine[no description available]medium10azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent		anthelminthic drug
praziquantel[no description available]medium10isoquinolines
prazosin[no description available]medium10aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridinolcarbamate[no description available]medium10pyridines
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine[no description available]medium10aralkylamine
opc 12759[no description available]medium10secondary carboxamide
riluzole[no description available]medium10benzothiazoles
risperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sevoflurane[no description available]medium10ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sibutramine[no description available]medium10organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
sulfadiazine[no description available]medium10pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sotalol[no description available]medium10ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
4-phenylbutyric acid, sodium salt[no description available]medium10organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
vorinostat[no description available]medium10dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfameter[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
leprostatic drug;
renal agent
sulfamethazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]medium10isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole[no description available]medium10primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine[no description available]medium10pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfasalazine[no description available]medium10
sulfinpyrazone[no description available]medium10pyrazolidines;
sulfoxide		uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacin[no description available]medium10N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur[no description available]medium10organohalogen compound;
pyrimidines
temazepam[no description available]medium10benzodiazepine
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
terfenadine[no description available]medium10diarylmethane
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thalidomide[no description available]medium10phthalimides;
piperidones
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tiaprofenic acid[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium10benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolperisone[no description available]medium10aromatic ketone
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium10monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
venlafaxine[no description available]medium10cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vesnarinone[no description available]medium10organic molecular entity
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219[no description available]medium10carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium10imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
guanidine hydrochloride[no description available]medium10one-carbon compound;
organic chloride salt		protein denaturant
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate[no description available]medium10corticosteroid hormone
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
estriol[no description available]medium1016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
cephaloridine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
piperonyl butoxide[no description available]medium10benzodioxolespesticide synergist
bromouracil[no description available]medium10nucleobase analogue;
pyrimidines		mutagen
3,3',5-triiodothyroacetic acid[no description available]medium10
histamine dihydrochloride[no description available]medium10
thyroxine[no description available]medium102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine[no description available]medium101-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cyclobarbital[no description available]medium10barbiturates
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
prednisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
oxandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
dehydroepiandrosterone[no description available]medium1017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
nad[no description available]medium10NADgeroprotector
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
glutamine[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sucrose[no description available]medium40glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
testosterone propionate[no description available]medium10steroid ester
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrine[no description available]medium10pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
methyltestosterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium10benzoquinolizine;
cyclic ketone;
tertiary amino compound
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
uridine[no description available]medium10uridinesdrug metabolite;
fundamental metabolite;
human metabolite
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
levodopa[no description available]medium10amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
carbaryl[no description available]medium10carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
lactose[no description available]medium10lactose
methionine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
Mebutamate[no description available]medium10organic molecular entity
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
norethindrone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
norethynodrel[no description available]medium10oxo steroid
benziodarone[no description available]medium10aromatic ketone
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium10mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
medroxyprogesterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
methaqualone[no description available]medium10quinazolinesGABA agonist;
sedative
trypan blue[no description available]medium10
cordycepin[no description available]medium103'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
tryptophan[no description available]medium20erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
arginine[no description available]medium10arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
trichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
allylpropymal[no description available]medium10barbiturates
butobarbital[no description available]medium10barbiturates
trichloroethylene[no description available]medium10chloroethenesinhalation anaesthetic;
mouse metabolite
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
methylprednisolone[no description available]medium206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
benzoyl peroxide[no description available]medium10carbonyl compound
furan[no description available]medium10furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
neostigmine bromide[no description available]medium10bromide salt
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
mephobarbital[no description available]medium10barbituratesanticonvulsant
hexachlorobenzene[no description available]medium10aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
framycetin[no description available]medium10aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
pyrazolanthrone[no description available]medium10anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
meglumine[no description available]medium10hexosamine;
secondary amino compound
cinchophen[no description available]medium10quinolines
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
mequinol[no description available]medium10methoxybenzenes;
phenols		metabolite
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
dydrogesterone[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid		progestin
ephedrine[no description available]medium10phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
2,3-dimercaptosuccinic acid[no description available]medium10
evans blue[no description available]medium10organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
testosterone enanthate[no description available]medium10heptanoate ester;
sterol ester		androgen
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
phenyramidol[no description available]medium10aminopyridine
carbutamide[no description available]medium10benzenes;
sulfonamide
nandrolone decanoate[no description available]medium10steroid ester
bucladesine[no description available]medium103',5'-cyclic purine nucleotide;
butanamides;
butyrate ester		agonist;
cardiotonic drug;
vasodilator agent
betamethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
perflubron[no description available]medium10haloalkane;
organobromine compound;
perfluorinated compound		blood substitute;
radioopaque medium
cyproterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dihydralazine[no description available]medium10phthalazines
phenylpropanolamine[no description available]medium10amphetamines;
phenethylamine alkaloid		plant metabolite
dihydroergotamine[no description available]medium10ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium10amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
gentian violet[no description available]medium20organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
hematoporphyrin[no description available]medium10
lactulose[no description available]medium10glycosylfructosegastrointestinal drug;
laxative
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin stearate[no description available]medium10aminoglycoside
erythromycin[no description available]medium10cyclic ketone;
erythromycin
vinblastine[no description available]medium10
estradiol valerate[no description available]medium10steroid ester
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
amiloride[no description available]medium20aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
iproclozide[no description available]medium10aromatic ether
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin disodium[no description available]medium10organic sodium salt
dehydroemetine[no description available]medium10aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
benorilate[no description available]medium10carbonyl compound
trimetazidine[no description available]medium10aromatic amine
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
tiadenol[no description available]medium10aliphatic sulfide
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
stanozolol[no description available]medium1017beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen
clodronic acid[no description available]medium101,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
xipamide[no description available]medium10benzamides
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pizotyline[no description available]medium10benzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
carbimazole[no description available]medium101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium1011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
oxyphenisatin[no description available]medium10indoles
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
butachlor[no description available]medium10aromatic amide;
organochlorine compound;
tertiary carboxamide		environmental contaminant;
herbicide;
xenobiotic
rose bengal b disodium salt[no description available]medium10
glutamic acid[no description available]medium30glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium10timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
nicergoline[no description available]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
amineptin[no description available]medium10amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pirprofen[no description available]medium10pyrroline
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
ticrynafen[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725[no description available]medium10
diltiazem[no description available]medium105-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
benoxaprofen[no description available]medium101,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
permethrin[no description available]medium10cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
pirfenidone[no description available]medium10pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
desogestrel[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
muzolimine[no description available]medium10dichlorobenzene
epirubicin[no description available]medium10aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane[no description available]medium10organofluorine compoundinhalation anaesthetic
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
moxalactam[no description available]medium10cephalosporin;
oxacephem		antibacterial drug
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
encainide[no description available]medium10benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
miglustat[no description available]medium10piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
enoximone[no description available]medium10aromatic ketone
piritrexim[no description available]medium10
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
quinapril[no description available]medium20dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
gepirone[no description available]medium10N-arylpiperazine
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
sparfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
clopidogrel[no description available]medium10methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
bromfenac[no description available]medium10aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
atorvastatin[no description available]medium20aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
duloxetine[no description available]medium10duloxetine
irinotecan[no description available]medium20carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
capecitabine[no description available]medium10carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
halofuginone[no description available]medium10quinazolines
ortho-cept[no description available]medium10
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol[no description available]medium10stilbenoid
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
doxapram hydrochloride[no description available]medium10hydrochloridecentral nervous system stimulant
1,5-anhydroglucitol[no description available]medium10anhydro sugarhuman metabolite
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
glutathione disulfide[no description available]medium20glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
bendamustine[no description available]medium10benzimidazoles
erdosteine[no description available]medium10N-acyl-amino acid
mizolastine[no description available]medium10benzimidazoles
intoplicine[no description available]medium10pyridoindole
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
medetomidine[no description available]medium10imidazoles
sertraline[no description available]medium10dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
picosulfate sodium[no description available]medium10aryl sulfate;
pyridines
dienogest[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone		progesterone receptor agonist;
progestin;
synthetic oral contraceptive
morphazinamide[no description available]medium10morpholines;
pyrazines;
secondary carboxamide
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
cyclobutyrol[no description available]medium10hydroxy monocarboxylic acidbile therapy drug
terlipressin[no description available]medium10polypeptide
isoflavone[no description available]medium10isoflavones
clevudine[no description available]medium10
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium103-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
selenomethionine[no description available]medium10amino acid zwitterion;
selenomethionine		plant metabolite
perindopril[no description available]medium10alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod[no description available]medium10aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
ecteinascidin 743[no description available]medium10acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
nitisinone[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
mitiglinide[no description available]medium10benzenes;
monocarboxylic acid
imatinib mesylate[no description available]medium10methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine[no description available]medium10adenosines;
monocarboxylic acid amide;
organoiodine compound		adenosine A3 receptor agonist
methotrexate[no description available]medium20dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
antiprimod[no description available]medium10
sulbactam[no description available]medium10penicillanic acids
olmesartan medoxomil[no description available]medium10biphenyls
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
docetaxel[no description available]medium10hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
levofloxacin[no description available]medium109-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cariporide[no description available]medium10
tezosentan[no description available]medium10
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
jtt 501[no description available]medium10
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
avasimibe[no description available]medium10monoterpenoid
biotin[no description available]medium10biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
atropine[no description available]medium10
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium10benzodioxoles
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
benzarone[no description available]medium101-benzofurans
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol[no description available]medium10carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
nexavar[no description available]medium10organosulfonate salt
glucosamine[no description available]medium10D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
quinidine[no description available]medium20cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
netilmicin[no description available]medium10
trimethaphan camsylate[no description available]medium10
erythromycin estolate[no description available]medium10aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
tolterodine[no description available]medium10tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochloride[no description available]medium10anthracycline
erythromycin ethylsuccinate[no description available]medium10cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
ao 128[no description available]medium10organic molecular entity
acarbose[no description available]medium10amino cyclitol;
glycoside
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate[no description available]medium10D-fructofuranose 1,6-bisphosphate
docosahexaenoate[no description available]medium10docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
oleic acid[no description available]medium20octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium10dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium10dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium70benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
eicosapentaenoic acid[no description available]medium10icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
mycophenolic acid[no description available]medium102-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
clindamycin[no description available]medium10
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
drf 2725[no description available]medium10
diethylstilbestrol[no description available]medium10olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
decitabine[no description available]medium102'-deoxyribonucleoside
teniposide[no description available]medium10aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin[no description available]medium10actinomycinmutagen
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
melphalan[no description available]medium10L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
rubitecan[no description available]medium10C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium70flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium10one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
sodium acetate, anhydrous[no description available]medium10organic sodium saltNMR chemical shift reference compound
sodium benzoate[no description available]medium10organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
ditiocarb sodium[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium10
discodermolide[no description available]medium10diterpenoid
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
propylthiouracil[no description available]medium10pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
prothionamide[no description available]medium10pyridines
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
sulindac[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
tacrine hydrochloride[no description available]medium10
sodium propionate[no description available]medium10organic sodium saltantifungal drug;
food preservative
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin[no description available]medium10
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
fusidic acid[no description available]medium1011alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
estrone sulfate[no description available]medium1017-oxo steroid;
steroid sulfate		human metabolite;
mouse metabolite
hmr 3647[no description available]medium10
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
droloxifene[no description available]medium10stilbenoid
or 1259[no description available]medium10hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
gestodene[no description available]medium10steroidestrogen
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene[no description available]medium10stilbenoid
zd 6474[no description available]medium10aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
silybin[no description available]medium10
chloramine-t[no description available]medium10organic sodium saltallergen;
antifouling biocide;
disinfectant
flosequinan[no description available]medium10quinolines
tolcapone[no description available]medium102-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
beta carotene[no description available]medium10carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
cholecalciferol[no description available]medium10D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
oxymetholone[no description available]medium10
montelukast[no description available]medium10aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine[no description available]medium10carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
cynarine[no description available]medium10alkyl caffeate ester;
quinic acid		plant metabolite
sdz psc 833[no description available]medium10homodetic cyclic peptide
coenzyme q10[no description available]medium10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
tranilast[no description available]medium10amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
misoprostol[no description available]medium10
ozagrel[no description available]medium10cinnamic acids
pitavastatin[no description available]medium10cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
alatrofloxacin mesylate[no description available]medium10
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
dothiepin[no description available]medium10dothiepin
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
nalorphine[no description available]medium10morphinane alkaloid
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxymorphone[no description available]medium10morphinane alkaloid
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
alvocidib[no description available]medium10dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol[no description available]medium10
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
geldanamycin[no description available]medium101,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
morphine[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
demycarosylturimycin h[no description available]medium10
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
furazolidone[no description available]medium10
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
semaxinib[no description available]medium10olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantinib[no description available]medium10
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium106-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalapril[no description available]medium20dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium20
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
sulindac sulfone[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran[no description available]medium10amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
epoprostenol sodium[no description available]medium10prostanoid
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
dantrolene sodium[no description available]medium10
nitrofurantoin[no description available]medium20imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
beraprost[no description available]medium10enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
lanreotide[no description available]medium10
lu 208075[no description available]medium10diarylmethane
acetylcarnitine[no description available]medium10O-acetylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite;
Saccharomyces cerevisiae metabolite
nifurtoinol[no description available]medium10hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
fosinopril[no description available]medium10
eflucimibe[no description available]medium10
etomoxir[no description available]medium10aromatic ether
pentagastrin[no description available]medium10organic molecular entity
gentamicin sulfate[no description available]medium10
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
baci-im[no description available]medium10homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
pf 03491390[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
tannins[no description available]medium10tannin
mesna[no description available]medium10organosulfonic acid
cerivastatin sodium[no description available]medium10organic sodium salt;
statin (synthetic)
monensin[no description available]medium10
oxacillin sodium[no description available]medium10organic sodium salt
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
ascorbic acid[no description available]medium20ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium10
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
dicumarol[no description available]medium20hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
acenocoumarol[no description available]medium10C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium10benzenes;
hydroxycoumarin;
methyl ketone
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline[no description available]medium10
lornoxicam[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ajmaline[no description available]medium10
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
folic acid[no description available]medium40folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
dacarbazine[no description available]medium10dacarbazine
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
oxypurinol[no description available]medium10pyrazolopyrimidinedrug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed[no description available]medium10N-acyl-amino acid
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
alanosine[no description available]medium10
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
rifabutin[no description available]medium10
picric acid[no description available]medium210C-nitro compoundantiseptic drug;
explosive;
fixative
cyclonite[no description available]medium18401,3,5-triazinanes;
N-nitro compound		explosive
octogen[no description available]medium790N-nitro compound;
tetrazocane		explosive
triazoles[no description available]medium1101,2,3-triazole
2-amino-4,6-dinitrotoluene[no description available]medium260amino-nitrotolueneexplosive;
fungal xenobiotic metabolite
4-amino-2,6-dinitrotoluene[no description available]medium280amino-nitrotolueneexplosive;
fungal xenobiotic metabolite;
marine metabolite
pentaerythritol tetranitrate[no description available]medium380pentaerythritol nitrateexplosive;
vasodilator agent
dinitrobenzenes[no description available]medium910
molybdenum[no description available]medium10chromium group element atommicronutrient
indium[no description available]medium10boron group element atom
titanium[no description available]medium70titanium group element atom
perfluorooctanoic acid[no description available]medium10fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
methane[no description available]medium170alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
caprylates[no description available]medium10fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
silver[no description available]medium120copper group element atom;
elemental silver		Escherichia coli metabolite
hydrogen[no description available]medium60elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
5-nitro-1,2,4-triazol-3-one[no description available]medium90
gold[no description available]medium270copper group element atom;
elemental gold
acetone[no description available]medium40ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
sodium hydroxide[no description available]medium20alkali metal hydroxide
methanol[no description available]medium40alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
3-nitrotoluene[no description available]medium30mononitrotoluene
stilbenes[no description available]medium40stilbene
cysteine[no description available]medium50cysteiniumfundamental metabolite
tellurium[no description available]medium40chalcogen;
metalloid atom
cadmium telluride[no description available]medium40
cadmium sulfide[no description available]medium30cadmium molecular entity
maleic anhydride[no description available]medium10cyclic dicarboxylic anhydride;
furans		allergen
potassium permanganate[no description available]medium10
1,1-diamino-2,2-dinitroethylene[no description available]medium20
2,4-dinitrotoluene[no description available]medium460dinitrotoluene
hexanitrostilbene[no description available]medium20
lithium[no description available]medium20alkali metal atom
cobalt[no description available]medium20cobalt group element atom;
metal allergen		micronutrient
glycolic acid[no description available]medium102-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
propane[no description available]medium20alkane;
gas molecular entity		food propellant
1,2,3-trichloropropane[no description available]medium10organochlorine compound
ammonium hydroxide[no description available]medium70azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
2,6-dinitrotoluene[no description available]medium260dinitrotoluenegenotoxin
cyclohexanone[no description available]medium20cyclohexanoneshuman xenobiotic metabolite
tiletamine hydrochloride[no description available]medium40
hexamethylenetriperoxidediamine[no description available]medium30
triacetone triperoxide[no description available]medium60
fullerene c60[no description available]medium10fullerenegeroprotector
fenitrothion[no description available]medium10C-nitro compound;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
2,4-dinitroanisole[no description available]medium140dinitroanisolesexplosive
4-nitroanisole[no description available]medium104-nitroanisoles
phenyl acetate[no description available]medium20benzenes;
phenyl acetates
carboplatin[no description available]medium10
thymine[no description available]medium10pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite
lead[no description available]medium20carbon group element atom;
elemental lead;
metal atom		neurotoxin
laccase[no description available]medium40
flavin mononucleotide[no description available]medium10
palladium[no description available]medium20metal allergen;
nickel group element atom;
platinum group metal atom
n-vinyl-2-pyrrolidinone[no description available]medium10pyrrolidin-2-ones
potassium bromide[no description available]medium10potassium salt
4-nitrophenol[no description available]medium104-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
bromide[no description available]medium20halide anion;
monoatomic bromine
nitrophenols[no description available]medium20
arsenic acid[no description available]medium10arsenic oxoacidEscherichia coli metabolite
1-naphthylamine[no description available]medium10naphthylaminehuman xenobiotic metabolite
ethylenediamine[no description available]medium20alkane-alpha,omega-diamineGABA agonist
zinc oxide[no description available]medium30zinc molecular entity
titanium dioxide[no description available]medium60titanium oxidesfood colouring
boron[no description available]medium20boron group element atom;
metalloid atom;
nonmetal atom		micronutrient
2-aminothiophenol[no description available]medium10aryl thiol;
substituted aniline		plant metabolite
sym-trinitrobenzene[no description available]medium200trinitrobenzeneexplosive
clay[no description available]medium60
3-dinitrobenzene[no description available]medium60dinitrobenzeneneurotoxin
propylene oxide[no description available]medium10epoxide
nitroguanidine[no description available]medium30nitroguanidine;
one-carbon compound
ethylene oxide[no description available]medium10gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
aluminum[no description available]medium50boron group element atom;
elemental aluminium;
metal atom
nitrites[no description available]medium250monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
nitrates[no description available]medium230monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
2,4-dichlorophenoxyacetic acid[no description available]medium30chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
okadaic acid[no description available]medium20ketal
nitrobenzene[no description available]medium60nitroarene;
nitrobenzenes
deuterium[no description available]medium10dihydrogen
ninhydrin[no description available]medium10aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite
chlorates[no description available]medium10chlorine oxoanion;
monovalent inorganic anion
1,3-indandione[no description available]medium10
benzimidazole[no description available]medium10benzimidazole;
polycyclic heteroarene
calixarenes[no description available]medium10
calix(4)arene[no description available]medium10
toluene[no description available]medium520methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
chlorpyrifos[no description available]medium10chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
sepharose[no description available]medium10
uridine diphosphate[no description available]medium10pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
ruthenium[no description available]medium20iron group element atom;
platinum group metal atom
cadmium[no description available]medium30cadmium molecular entity;
zinc group element atom
chlorophyll a[no description available]medium20chlorophyll;
methyl ester		cofactor
hexafluorobenzene[no description available]medium10fluorobenzenes;
fluorocarbon		NMR chemical shift reference compound
potassium phosphate[no description available]medium10inorganic phosphate salt;
inorganic potassium salt
betadex[no description available]medium20cyclodextrin
ribose[no description available]medium10D-ribose;
ribopyranose
kaolinite[no description available]medium10aluminosilicate mineral;
mixture		antidiarrhoeal drug;
excipient
2,4-dinitrophenol[no description available]medium30dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2-ethylhexanol[no description available]medium10primary alcoholplant metabolite;
volatile oil component
1-hexanol[no description available]medium10hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
atrazine[no description available]medium50chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
trioctylmethylammonium[no description available]medium10quaternary ammonium ion
lignin[no description available]medium40
ammonium nitrate[no description available]medium50ammonium salt;
inorganic molecular entity;
inorganic nitrate salt		explosive;
fertilizer;
oxidising agent
platinum[no description available]medium10elemental platinum;
nickel group element atom;
platinum group metal atom
nitramine[no description available]medium130nitramineexplosive
cellulose[no description available]medium30glycoside
nadp[no description available]medium120
tretazicar[no description available]medium10
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
silicon[no description available]medium30carbon group element atom;
metalloid atom;
nonmetal atom
sulfuric acid[no description available]medium10sulfur oxoacidcatalyst
carbamates[no description available]medium10amino-acid anion
4-nitrotoluene[no description available]medium20mononitrotoluene
digitonin[no description available]medium10
2,4-diamino-6-nitrotoluene[no description available]medium100amino-nitrotoluenexenobiotic metabolite
fenton's reagent[no description available]medium100
xenon[no description available]medium10monoatomic xenon;
noble gas atom;
p-block element atom
acetonitrile[no description available]medium70aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
tripropylamine[no description available]medium10tertiary amine
perchlorate[no description available]medium20chlorine oxoanion;
monovalent inorganic anion
dicyclohexylamine[no description available]medium10primary aliphatic amine
pyridine[no description available]medium10azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
nitrosoguanidines[no description available]medium10
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
aniline[no description available]medium30anilines;
primary arylamine
helium[no description available]medium20monoatomic helium;
noble gas atom;
s-block element atom		food packaging gas
2,3-dinitrotoluene[no description available]medium30dinitrotolueneexplosive
nitroblue tetrazolium[no description available]medium10organic cation
n-hexadecane[no description available]medium10long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
4-chloro-7-nitrobenzofurazan[no description available]medium10benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
cetyltrimethylammonium ion[no description available]medium10quaternary ammonium ion
n-methyl-3,4-methylenedioxyamphetamine[no description available]medium10amphetamines;
benzodioxoles		neurotoxin
diphenylamine[no description available]medium10aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
piperonal[no description available]medium10arenecarbaldehyde;
benzodioxoles		fragrance;
insect repellent;
plant metabolite
tetranitromethane[no description available]medium10organonitrogen compound
nitromethane[no description available]medium20primary nitroalkane;
volatile organic compound		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent
benzene[no description available]medium50aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
ethylene[no description available]medium10alkene;
gas molecular entity		plant hormone;
refrigerant
methyl parathion[no description available]medium10C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
paraoxon[no description available]medium10aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
hexafluoroisopropanol[no description available]medium10organofluorine compound;
secondary alcohol		drug metabolite
manganese[no description available]medium20elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
sodium azide[no description available]medium10inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
trinitrosotrimethylenetriamine[no description available]medium201,3,5-triazinanes;
nitrosamine
chloroform[no description available]medium10chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
3-mercaptopropionic acid[no description available]medium10mercaptopropanoic acidalgal metabolite
nad[no description available]medium80organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
sodium sulfide[no description available]medium10
sodium perchlorate[no description available]medium20inorganic sodium salt
magnesium trisilicate[no description available]medium10
ethane[no description available]medium20alkane;
gas molecular entity		plant metabolite;
refrigerant
ovalbumin[no description available]medium30
pyrene[no description available]medium20ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
diethylhexyl phthalate[no description available]medium10diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser
pentachlorophenol[no description available]medium20aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
5-ethylphenazine[no description available]medium10
1-phenazinecarboxylic acid[no description available]medium10aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
pyocyanine[no description available]medium10iminium betaine;
phenazines		antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor
methylphenazonium methosulfate[no description available]medium10azaheterocycle sulfate salt;
phenazines
2-toluidine[no description available]medium10aminotoluenecarcinogenic agent
benzoic acid[no description available]medium10benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
nickel[no description available]medium30metal allergen;
nickel group element atom		epitope;
micronutrient
carbonates[no description available]medium20carbon oxoanion
ferrihydrite[no description available]medium30
tetrathiafulvalene[no description available]medium10fulvalenes;
organosulfur heterocyclic compound
hydroxyl radical[no description available]medium30oxygen hydride;
oxygen radical;
reactive oxygen species
bathocuproine[no description available]medium10
deoxyguanosine[no description available]medium10purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
8-hydroxy-2'-deoxyguanosine[no description available]medium10guanosinesbiomarker
1,7-phenanthroline[no description available]medium20phenanthroline
neutral red[no description available]medium30hydrochlorideacid-base indicator;
dye;
two-colour indicator
t-2 toxin[no description available]medium10
erythrosine[no description available]medium30
carbocyanines[no description available]medium10cyanine dye;
organic iodide salt		fluorochrome
ng-nitroarginine methyl ester[no description available]medium10alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor
deoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite
tetraethylammonium[no description available]medium10quaternary ammonium ion
propylene glycol[no description available]medium20glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
hydroxylamine[no description available]medium20hydroxylaminesalgal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent
iodine[no description available]medium20diatomic iodinenutrient
thiouracil[no description available]medium10nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
nitrous oxide[no description available]medium20gas molecular entity;
nitrogen oxide		analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
phenanthrenes[no description available]medium10
hydroxide ion[no description available]medium10oxygen hydridemouse metabolite
lewisite[no description available]medium10
arsenic[no description available]medium10metalloid atom;
pnictogen		micronutrient
mustard gas[no description available]medium10ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
heroin[no description available]medium10morphinane alkaloidmu-opioid receptor agonist;
opioid analgesic;
prodrug
sarin[no description available]medium10fluorine molecular entity;
phosphinic ester
isoprene[no description available]medium10alkadiene;
hemiterpene;
volatile organic compound		plant metabolite
europium[no description available]medium20f-block element atom;
lanthanoid atom
thenoyltrifluoroacetone[no description available]medium10
terbium[no description available]medium10f-block element atom;
lanthanoid atom
ferroin[no description available]medium10
ozone[no description available]medium30elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
benzo(a)pyrene[no description available]medium30ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
selenomethionine[no description available]medium10selenoamino acid;
selenomethionines		plant metabolite
fluorescein[no description available]medium102-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium
potassium chloride[no description available]medium10inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer
2-nitrotoluene[no description available]medium10mononitrotoluenecarcinogenic agent;
environmental contaminant
argon[no description available]medium10monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent
acetochlor[no description available]medium10aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
metolachlor[no description available]medium10aromatic amide;
benzenes;
ether;
organochlorine compound
ferrous sulfate[no description available]medium10iron molecular entity;
metal sulfate		reducing agent
diuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
ethylene glycol dinitrate[no description available]medium40
salicylhydroxamic acid[no description available]medium10hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
anthraquinone-2,6-disulfonate[no description available]medium10anthraquinone;
arenesulfonic acid
wortmannin[no description available]medium10acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
serine[no description available]medium10L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]medium10chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
phencyclidine[no description available]medium10benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
acetylene[no description available]medium10alkyne;
gas molecular entity;
terminal acetylenic compound
chlorine[no description available]medium10halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
hexachloroethane[no description available]medium10chlorocarbon;
chloroethanes		carcinogenic agent;
refrigerant
ammonium perchlorate[no description available]medium10
lanthanum[no description available]medium10f-block element atom;
lanthanoid atom;
scandium group element atom
ferrous chloride[no description available]medium10iron coordination entity
hydrochloric acid[no description available]medium10chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
ethylene glycol[no description available]medium10ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
pioglitazone[no description available]medium10aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
flavin-adenine dinucleotide[no description available]medium10flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group
heme[no description available]medium30
ether[no description available]medium10ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant
bilirubin[no description available]medium10biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
anthranilic acid[no description available]medium10aminobenzoic acidhuman metabolite;
mouse metabolite
luminol[no description available]medium10
glucose, (beta-d)-isomer[no description available]medium10D-glucopyranoseepitope;
mouse metabolite
selenium[no description available]medium20chalcogen;
nonmetal atom		micronutrient
benzofurans[no description available]medium10
protoporphyrin ix[no description available]medium10
4,6-dinitro-o-cresol[no description available]medium10dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide
acetyl coenzyme a[no description available]medium10acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
1,4-dinitrobenzene[no description available]medium10dinitrobenzene
2-cyclohexen-1-one[no description available]medium20cyclohexenone
calcium peroxide[no description available]medium10calcium oxides
propyl gallate[no description available]medium10trihydroxybenzoic acid
4-cresol[no description available]medium10cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
cyanides[no description available]medium20pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
fluorescein-5-isothiocyanate[no description available]medium10fluorescein isothiocyanate
1,2-dinitrobenzene[no description available]medium10dinitrobenzene
nitrogen dioxide[no description available]medium10nitrogen oxide
nitrogenase[no description available]medium10
2-naphthol[no description available]medium10naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
vinyl chloride[no description available]medium10chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent
glycocholic acid[no description available]medium10bile acid glycine conjugatehuman metabolite
ammonium chloride[no description available]medium10ammonium salt;
inorganic chloride		ferroptosis inhibitor
cyclic gmp[no description available]medium103',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
carbon disulfide[no description available]medium10one-carbon compound;
organosulfur compound
phloroglucinol[no description available]medium10benzenetriol;
phenolic donor		algal metabolite
pyrogallol[no description available]medium10benzenetriol;
phenolic donor		plant metabolite
calcimycin[no description available]medium10benzoxazole
2-diethylaminoethanol[no description available]medium10ethanolamines;
primary alcohol;
tertiary amino compound
tenax[no description available]medium10
peptones[no description available]medium10
vitamin b 12[no description available]medium10
thromboplastin[no description available]medium10
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
dimercaprol[no description available]medium10dithiol;
primary alcohol		chelator
vitamin k semiquinone radical[no description available]medium10
methylene blue[no description available]medium10organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
trazodone hydrochloride[no description available]medium20hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
fenoxycarb[no description available]medium10aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
propiconazole[no description available]medium10conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
4-methoxyamphetamine[no description available]medium10
isomethyleugenol[no description available]medium10isomethyleugenol
fusarium[no description available]medium10
cetylpyridinium chloride anhydrous[no description available]medium10chloride salt;
organic chloride salt		antiseptic drug;
surfactant
eye[no description available]medium20
picryl chloride[no description available]low00C-nitro compound;
monochlorobenzenes		allergen;
epitope;
explosive;
hapten
dicyandiamido[no description available]low00guanidines;
nitrile		curing agent;
explosive;
fertilizer;
flame retardant;
nitrification inhibitor
trinitrobenzenesulfonic acid[no description available]low00arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent
musk xylene[no description available]low00C-nitro compoundcarcinogenic agent;
explosive;
fragrance
erythrityl tetranitrate[no description available]low00nitrate esterexplosive;
vasodilator agent
hexanitrohexaazaisowurzitane[no description available]low00N-nitro compound;
polycyclic cage		explosive
ConditionIndicatedRelationship StrengthStudiesTrials
Abdominal Injuries0low20
Abnormal Deep Tendon Reflex0low10
Abnormal Reflex0low10
Abnormal Reflexes0low10
Abnormalities, Congenital0low10
Abnormalities, Drug-Induced0low10
Abnormality, Heart0low10
Absence Seizure0low10
Absence Seizures0low10
Acute Disease0low20
Acute Liver Injury, Drug-Induced0low160
Acute Myelogenous Leukemia0low20
Acute Myeloid Leukemia0low20
Acute Myeloid Leukemia with Maturation0low20
Acute Myeloid Leukemia without Maturation0low20
Adenocarcinoma0low10
Adenocarcinoma, Basal Cell0low10
Adenocarcinoma, Granular Cell0low10
Adenocarcinoma, Oxyphilic0low10
Adenocarcinoma, Tubular0low10
Adenoma, Malignant0low10
Adverse Drug Event0low10
Adverse Drug Reaction0low10
Aging0low10
Alcohol Drinking0low20
Amputation, Traumatic0low10
Anemia0low110
Anemia, Aplastic0low100
Anemia, Hemolytic0low70
Anemia, Hemolytic, Acquired0low70
Anemia, Hypoplastic0low100
Anemia, Microangiopathic0low70
Angiitis0low10
Angina Pectoris0low10
Angor Pectoris0low10
ANLL0low20
Aplastic Anaemia0low100
Aplastic Anemia0low100
Appendicitis0low20
Apraxia, Ideokinetic0low10
Apraxia, Ideomotor0low10
Apraxia, Limb Kinetic0low10
Apraxia, Transcortical0low10
Arrhythmia0low10
Arrhythmias, Cardiac0low10
Arrythmia0low10
Arterial Inflammation0low10
Arteritis0low10
Asthma0low10
Asthma, Bronchial0low10
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Bagassosis0low10
Birth Defects0low10
Blast Injuries0low110
Blood Diseases0low10
Blood Pressure, High0low10
Blood Protein Disorders0low10
Blunt Injuries0low10
Body Weight0low120
Bone Marrow Diseases0low10
Brain Injuries, Penetrating0low10
Breast Cancer0low10
Breast Carcinoma0low10
Breast Neoplasms0low10
Breast Tumors0low10
Bronchial Asthma0low10
Bulbocavernosus Reflex, Decreased0low10
Bulbocavernousus Reflex Absent0low10
Burns0low10
Cancer of Breast0low10
Cancer of Liver0low30
Cancer of Lung0low10
Cancer of Pancreas0low10
Cancer of Rectum0low10
Cancer of the Breast0low10
Cancer of the Liver0low30
Cancer of the Lung0low10
Cancer of the Pancreas0low10
Cancer of the Rectum0low10
Cancer, Hepatocellular0low30
Carbon Tetrachloride Poisoning0low20
Carcinoma, Cribriform0low10
Carcinoma, Granular Cell0low10
Carcinoma, Hepatocellular0low10
Carcinoma, Non-Small Cell Lung0low10
Carcinoma, Non-Small-Cell Lung0low10
Carcinoma, Tubular0low10
Cardiac Arrhythmia0low10
Cardiac Arrhythmias0low10
Cardiac Death0low10
Cardiac Dysrhythmia0low10
Cardiovascular Diseases0low10
Cardiovascular Stroke0low10
Cataract0low270
Cataract, Membranous0low270
CCl4 Poisoning0low20
Central Nervous System Disease0low20
Central Nervous System Diseases0low20
Central Nervous System Disorder0low20
Central Nervous System Disorders0low20
Centrala nervsystemets sjukdomar@sv0low20
Chemical and Drug Induced Liver Injury0low160
Chemically-Induced Liver Toxicity0low160
Chest Injuries0low10
Chloasma0low10
Cholera Infantum0low10
Choroby OUN@pl0low20
Chronic Disease0low90
Chronic Illness0low90
Chronically Ill0low90
Cirrhoses, Experimental Liver0low10
Cirrhosis, Experimental Liver0low10
Classic Apraxia0low10
Clonic Seizure0low10
Clonic Seizures0low10
CNS Disease0low20
CNS Diseases0low20
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Congenital Abnormalities0low10
Congenital Defects0low10
Congenital Heart Defect0low10
Congenital Heart Defects0low10
Congenital Heart Disease0low10
Contact Dermatitis0low30
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Coproporphyria, Hereditary0low10
Coproporphyrinogen Oxidase Deficiency0low10
Coronary Disease0low20
Coronary Heart Disease0low20
Cranial Trauma, Penetrating0low10
Craniocerebral Injuries0low10
Craniocerebral Trauma0low10
Craniocerebral Trauma, Penetrating0low10
Crushing Skull Injury0low10
Cyanosis0low10
Death0low10
Death, Sudden0low10
Defects, Congenital0low10
Defects, Congenital Heart0low10
Deficiency of Glucose-6-Phosphate Dehydrogenase0low30
Deficiency, Glucosephosphate Dehydrogenase0low30
Deficiency, GPD0low30
Deformities0low10
Dermatitis0low10
Dermatitis Venenata0low30
Dermatitis, Atopic0low10
Dermatitis, Contact0low30
Dermatitis, Occupational0low40
Dermatomycoses0low10
Dermatomycosis0low10
Dermatophyte Infection0low10
Dermatophytoses0low10
Dermatophytosis0low10
Dermatosis, Industrial0low40
Determination of Death0low10
Diathesis0low20
Digestive System Diseases0low10
Digestive System Disorders0low10
Disease Susceptibility0low20
Disease, Pulmonary0low10
Diseases, Metabolic0low10
Diseases, Occupational0low640
Diseases, Pulmonary0low10
Doenu00E7as do Sistema Nervoso Central@pt0low20
Drug Side Effects0low10
Drug Toxicity0low10
Drug-Induced Abnormalities0low10
Drug-Induced Acute Liver Injury0low160
Drug-Induced Liver Disease0low160
Drug-Induced Liver Injury0low160
Drug-Related Side Effects and Adverse Reactions0low10
Dyspepsia0low10
Dyspraxia, Ideomotor0low10
Eczema, Atopic0low10
Eczema, Contact0low30
Eczema, Infantile0low10
Electrolytes0low40
End Of Life0low10
End-Of-Life0low10
Endotoxemia0low10
Enfermedades del Sistema Nervioso Central@es0low20
Enlarged Liver0low20
Enlarged Spleen0low10
Epidermophytosis0low10
Epileptic Seizure0low10
Epileptic Seizures0low10
ER-Negative PR-Negative HER2-Negative Breast Cancer0low10
ER-Negative PR-Negative HER2-Negative Breast Neoplasms0low10
Ergot Poisoning0low10
Ergotism0low10
Erythema Multiforme0low10
Experimental Leukemia0low10
Experimental Leukemias0low10
Experimental Liver Cirrhoses0low10
Experimental Liver Cirrhosis0low10
Extravascular Hemolysis0low10
Eye Diseases0low10
Eye Disorders0low10
Eye Injuries0low10
Fatty Liver0low10
Fetal Anomalies0low10
Fetal Malformations0low10
Focal Neurologic Deficits0low10
Forehead Trauma0low10
Fractures, Comminuted0low10
Freckles0low10
Frontal Region Trauma0low10
Functional Gastrointestinal Disorders0low10
Fungal Skin Diseases0low10
G6PD Deficiency0low30
Gastrointestinal Diseases0low10
Gastrointestinal Disorders0low10
Gastrointestinal Disorders, Functional0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Tonic-Clonic Seizures0low10
Glaucoma0low10
Glucose 6 Phosphate Dehydrogenase Deficiency0low30
Glucose-6-Phosphate Dehydrogenase Deficiency0low30
Glucosephosphate Dehydrogenase Deficiencies0low30
Glucosephosphate Dehydrogenase Deficiency0low30
GPD Deficiency0low30
Granulocytic Leukemia, Chronic0low20
Group A Strep Infection0low10
Group A Streptococcal Infection0low10
Group A Streptococcal Infections0low10
Group B Strep Infection0low10
Group B Streptococcal Infection0low10
Group B Streptococcal Infections0low10
Haemolysis0low10
Haemolytic Anaemia0low70
Head Injuries0low10
Head Injuries, Multiple0low10
Head Injuries, Penetrating0low10
Head Injuries, Penetrating, Missile0low10
Head Injury, Minor0low10
Head Injury, Open0low10
Head Injury, Penetrating0low10
Head Injury, Superficial0low10
Head Trauma0low10
Head Trauma, Penetrating0low10
Heart Abnormalities0low10
Heart Attack0low10
Heart Defect, Congenital0low10
Heart Defects, Congenital0low10
Heart, Malformation Of0low10
Hematologic Diseases0low10
Hematological Diseases0low10
Hemoglobinuria0low10
Hemolysis0low10
Hemolytic Anemia0low70
Hemolytic Anemia Due to G6PD Deficiency0low30
Hemolytic Anemia, Acquired0low70
Hepatic Cancer0low30
Hepatic Cirrhosis, Experimental0low10
Hepatic Neoplasms0low30
Hepatitis0low10
Hepatitis B0low10
Hepatitis B Virus Infection0low10
Hepatitis C0low10
Hepatitis, Drug-Induced0low160
Hepatitis, Toxic0low160
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted0low10
Hepatobiliary Diseases0low10
Hepatobiliary Disorders0low10
Hepatocellular Cancer0low30
Hepatocellular Carcinoma0low10
Hepatoma0low10
Hepatomegaly0low20
Hereditary Coproporphyria0low10
Hives0low10
Hoffman's Reflex0low10
Hospital-Acquired Condition0low10
Human Mammary Carcinoma0low10
Hyperreflexia0low10
Hypersensitivity, Contact0low30
Hypertension0low10
Hyporeflexia0low10
Iatrogenic Disease0low10
Icterus0low30
Ideomotor Apraxia0low10
Indigestion0low10
Industrial Dermatosis0low40
Infection, Postoperative Wound0low10
Infection, Surgical Wound0low10
Infections, Plasmodium0low10
Infections, Staphylococcal0low10
Infections, Streptococcal0low10
Inflammation0low10
Injuries, Abdominal0low20
Injuries, Blast0low110
Injuries, Blunt0low10
Injuries, Chest0low10
Injuries, Craniocerebral0low10
Injuries, Eye0low10
Injuries, Head0low10
Injuries, Nonpenetrating0low10
Injuries, Thoracic0low10
Innate Inflammatory Response0low10
Intraocular Pressure0low10
Intravascular Hemolysis0low10
Jacksonian Seizure0low10
Jaundice0low30
Jaundice, Hemolytic0low30
Keskushermoston sairaudet@fi0low20
Kidney Diseases0low10
Lead Poisoning0low30
Left Ventricular Dysfunction0low10
Lens Opacities0low270
Leucocythaemia0low20
Leucocythemia0low20
Leukemia0low20
Leukemia Model, Animal0low10
Leukemia P3880low10
Leukemia, Acute Myelogenous0low20
Leukemia, Acute Myeloid0low20
Leukemia, Chronic Myelogenous0low20
Leukemia, Chronic Myeloid0low20
Leukemia, Experimental0low10
Leukemia, Granulocytic, Chronic0low20
Leukemia, Myeloblastic, Acute0low20
Leukemia, Myelocytic, Acute0low20
Leukemia, Myelocytic, Chronic0low20
Leukemia, Myelogenous, Acute0low20
Leukemia, Myelogenous, Chronic0low20
Leukemia, Myelogenous, Chronic, BCR-ABL Positive0low20
Leukemia, Myelogenous, Ph1 Positive0low20
Leukemia, Myelogenous, Ph1-Positive0low20
Leukemia, Myeloid, Acute0low20
Leukemia, Myeloid, Acute, M10low20
Leukemia, Myeloid, Acute, M20low20
Leukemia, Myeloid, Chronic0low20
Leukemia, Myeloid, Ph1 Positive0low20
Leukemia, Myeloid, Ph1-Positive0low20
Leukemia, Myeloid, Philadelphia Positive0low20
Leukemia, Myeloid, Philadelphia-Positive0low20
Leukemia, Nonlymphoblastic, Acute0low20
Leukemia, Nonlymphocytic, Acute0low20
Leukemias, Experimental0low10
Leukocytosis0low10
Libman-Sacks Disease0low10
Liver Cancer0low30
Liver Cancer, Adult0low10
Liver Cell Carcinoma0low10
Liver Cell Carcinoma, Adult0low10
Liver Cirrhoses, Experimental0low10
Liver Cirrhosis, Experimental0low10
Liver Diseases0low50
Liver Dysfunction0low50
Liver Injury, Drug-Induced0low160
Liver Injury, Drug-Induced, Acute0low160
Liver Neoplasms0low30
Liver Steatosis0low10
Lung Cancer0low10
Lung Diseases0low10
Lung Neoplasms0low10
Lupus Erythematosus Disseminatus0low10
Lupus Erythematosus, Systemic0low10
Maladie du systu00E8me nerveux central@fr0low20
Malaria0low10
Malattie del sistema nervoso centrale@it0low20
Malignant Neoplasm of Breast0low10
Malignant Tumor of Breast0low10
Mammary Cancer0low10
Mammary Carcinoma, Human0low10
Mammary Neoplasm, Human0low10
Mammary Neoplasms, Human0low10
Manifestations, Neurologic0low10
Manifestations, Neurological0low10
Marsh Fever0low10
Melanism0low10
Melanosis0low10
Melasma0low10
Metabolic Diseases0low10
Methemoglobinemia0low30
Microangiopathic Hemolytic Anemia0low70
Missile Injuries, Penetrating, Head0low10
Multiple Head Injuries0low10
Muscle Contraction0low10
Myeloblastic Leukemia, Acute0low20
Myelocytic Leukemia, Acute0low20
Myelocytic Leukemia, Chronic0low20
Myelogenous Leukemia, Acute0low20
Myelogenous Leukemia, Chronic0low20
Myelogenous Leukemia, Ph1-Positive0low20
Myeloid Leukemia, Acute0low20
Myeloid Leukemia, Acute, M10low20
Myeloid Leukemia, Acute, M20low20
Myeloid Leukemia, Chronic0low20
Myeloid Leukemia, Ph1-Positive0low20
Myeloid Leukemia, Philadelphia-Positive0low20
Myocardial Infarct0low10
Myocardial Infarction0low10
Myoclonic Seizure0low10
Myoclonic Seizures0low10
Near-Death Experience0low10
Necrosis0low10
nemoci centru00E1lnu00EDho nervovu00E9ho systu00E9mu@cs0low20
Neoplasms, Breast0low10
Neoplasms, Hepatic0low30
Neoplasms, Liver0low30
Neoplasms, Lung0low10
Neoplasms, Pancreatic0low10
Neoplasms, Pulmonary0low10
Neoplasms, Rectal0low10
Nervous System Diseases0low20
Nervous System Disorders0low20
Neuritis0low10
Neuritis, Motor0low10
Neuritis, Peripheral0low10
Neuritis, Sensory0low10
Neurodermatitis, Atopic0low10
Neurodermatitis, Disseminated0low10
Neurologic Deficits0low10
Neurologic Disorders0low20
Neurologic Dysfunction0low10
Neurologic Findings0low10
Neurologic Manifestation0low10
Neurologic Manifestations0low10
Neurologic Signs0low10
Neurologic Signs and Symptoms0low10
Neurologic Symptoms0low10
Neurological Disorders0low20
Neurological Manifestations0low10
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Non-Small Cell Lung Cancer0low10
Non-Small Cell Lung Carcinoma0low10
Non-Small-Cell Lung Carcinoma0low10
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Nonlymphoblastic Leukemia, Acute0low20
Nonlymphocytic Leukemia, Acute0low20
Nonpenetrating Injuries0low10
Nonsmall Cell Lung Cancer0low10
Occipital Region Trauma0low10
Occipital Trauma0low10
Occupational Dermatitis0low40
Occupational Diseases0low640
Occupational Illnesses0low640
Open Head Injury0low10
P388D(1) Leukemia0low10
Palmo-Mental Reflex0low10
Palsy0low10
Paludism0low10
Pancreas Cancer0low10
Pancreas Neoplasms0low10
Pancreatic Cancer0low10
Pancreatic Diseases0low10
Pancreatic Neoplasms0low10
Paralysis0low10
Parenterally-Transmitted Non-A, Non-B Hepatitis0low10
Parietal Region Trauma0low10
Partial Seizure0low10
Partial Seizures0low10
Penetrating Missile Injuries, Head0low10
Perforated Appendicitis0low20
Peripheral Nerve Diseases0low10
Peripheral Nervous System Disease0low10
Peripheral Nervous System Diseases0low10
Peripheral Nervous System Disorders0low10
Peripheral Neuropathies0low10
Petit Mal Convulsion0low10
Plasmodium Infections0low10
Plegia0low10
Pleocytosis0low10
Pneumoconiosis0low10
PNS (Peripheral Nervous System) Diseases0low10
PNS Diseases0low10
Poisoning0low130
Poisoning, Carbon Tetrachloride0low20
Poisoning, CCl40low20
Poisoning, Ergot0low10
Poisoning, Lead0low30
Polyneuritis0low10
Postoperative Wound Infection0low10
Pregnancy0low20
Pseudoaphakia0low270
Psychoses, Drug0low10
Psychoses, Substance-Induced0low10
Psychoses, Toxic0low10
PT-NANBH0low10
Pulmonary Cancer0low10
Pulmonary Disease0low10
Pulmonary Diseases0low10
Pulmonary Neoplasms0low10
Rectal Cancer0low10
Rectal Neoplasms0low10
Rectal Tumors0low10
Rectum Cancer0low10
Rectum Neoplasms0low10
Reflex, Abnormal0low10
Reflex, Absent0low10
Reflex, Acoustic, Abnormal0low10
Reflex, Anal, Absent0low10
Reflex, Anal, Decreased0low10
Reflex, Ankle, Abnormal0low10
Reflex, Ankle, Absent0low10
Reflex, Ankle, Decreased0low10
Reflex, Biceps, Abnormal0low10
Reflex, Biceps, Absent0low10
Reflex, Biceps, Decreased0low10
Reflex, Corneal, Absent0low10
Reflex, Corneal, Decreased0low10
Reflex, Decreased0low10
Reflex, Deep Tendon, Abnormal0low10
Reflex, Deep Tendon, Absent0low10
Reflex, Gag, Absent0low10
Reflex, Gag, Decreased0low10
Reflex, Knee, Abnormal0low10
Reflex, Knee, Decreased0low10
Reflex, Moro, Asymmetric0low10
Reflex, Pendular0low10
Reflex, Triceps, Abnormal0low10
Reflex, Triceps, Absent0low10
Reflex, Triceps, Decreased0low10
Reflexes, Abnormal0low10
Remittent Fever0low10
Respiratory Tract Diseases0low10
Ringworm0low10
Ruptured Appendicitis0low20
Saint Anthony's Fire0low10
Saint Anthonys Fire0low10
Seizure0low10
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Sensitivity and Specificity0low520
Sensitivity, Contact0low30
Sex Disorders0low10
Sexual Disorders, Physiological0low10
Sexual Dysfunction, Physiological0low10
Sexual Dysfunctions, Physiological0low10
Side Effects of Drugs0low10
Silicosis0low10
Silicotuberculosis0low10
Single Seizure0low10
Skin Diseases, Fungal0low10
Splenomegaly0low10
SREDIu0160NJI u017DIVu010CANI SUSTAV, BOLESTI@hr0low20
St. Anthony's Fire0low10
St. Anthonys Fire0low10
Staphylococcal Infections0low10
Staphylococcus aureus Infection0low10
Steatohepatitis0low10
Steatosis of Liver0low10
Stenocardia0low10
Streptococcal Infections0low10
Substance-Induced Psychoses0low10
Sudden Death0low10
Sulfhemoglobinemia0low10
Superficial Head Injury0low10
Surgical Site Infection0low10
Surgical Wound Infection0low10
Susceptibility, Disease0low20
Sykdommer i sentralnervesystemet@no0low20
Symptom Cluster0low20
Syndrome0low20
Systemic Lupus Erythematosus0low10
Temporal Region Trauma0low10
Thesaurismosis0low10
Thoracic Injuries0low10
Tinea0low10
Tinea Corporis0low10
Todd Paralysis0low10
Todd's Paralysis0low10
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizures0low10
Toxic Hepatitis0low160
Toxic Psychoses0low10
Toxicity, Drug0low10
Trauma, Head0low10
Trichophyton mentagrophytes Infection0low10
Trichophytosis0low10
Triple Negative Breast Cancer0low10
Triple Negative Breast Neoplasms0low10
Triple-Negative Breast Cancer0low10
Triple-Negative Breast Neoplasm0low10
Tumors, Breast0low10
u041Du0415u0420u0412u041Du041Eu0419 u0421u0418u0421u0422u0415u041Cu042B u0426u0415u041Du0422u0420u0410u041Bu042Cu041Du041Eu0419 u0411u041Eu041Bu0415u0417u041Du0418@ru0low20
u4E2Du67A2u795Eu7D4Cu7CFBu75BEu60A3@ja0low20
Urticaria0low10
Vasculitis0low10
Ventricular Dysfunction, Left0low10
Visceral Steatosis0low10
Wound Infection, Postoperative0low10
Wound Infection, Surgical0low10
Wounds, Gunshot0low10
Wounds, Nonpenetrating0low10
Zentralnervensystemkrankheiten@de0low20
Ziekte, centraalzenuwstelsel-@nl0low20

Research Highlights

Safety/Toxicity (59)

ArticleYear
Transgenerational reproductive toxicity of 2,4,6-trinitrotoluene (TNT) and its metabolite 4-ADNT in Caenorhabditis elegans.
Environmental toxicology and pharmacology, Volume: 92		2022
Toxicity analysis of TNT to alfalfa's mineral nutrition and secondary metabolism.
Plant cell reports, Volume: 41, Issue: 5		2022
Analysis of the biodegradation and phytotoxicity mechanism of TNT, RDX, HMX in alfalfa (Medicago sativa).
Chemosphere, Volume: 281		2021
Copper promotes E. coli laccase-mediated TNT biotransformation and alters the toxicity of TNT metabolites toward Tigriopus japonicus.
Ecotoxicology and environmental safety, May-30, Volume: 173		2019
Aquatic toxicity of photo-degraded insensitive munition 101 (IMX-101) constituents.
Environmental toxicology and chemistry, Volume: 36, Issue: 8		2017
Enhancement of microbial 2,4,6-trinitrotoluene transformation with increased toxicity by exogenous nutrient amendment.
Ecotoxicology and environmental safety, Volume: 138		2017
3D Visualization of Developmental Toxicity of 2,4,6-Trinitrotoluene in Zebrafish Embryogenesis Using Light-Sheet Microscopy.
International journal of molecular sciences, Nov-17, Volume: 17, Issue: 11		2016
Species-specific differences in peroxisome proliferation, catalase, and SOD2 upregulation as well as toxicity in human, mouse, and rat hepatoma cells induced by the explosive and environmental pollutant 2,4,6-trinitrotoluene.
Environmental toxicology, Volume: 32, Issue: 3		2017
Monodehydroascorbate reductase mediates TNT toxicity in plants.
Science (New York, N.Y.), Sep-04, Volume: 349, Issue: 6252		2015
Toxicity of the conventional energetics TNT and RDX relative to new insensitive munitions constituents DNAN and NTO in Rana pipiens tadpoles.
Environmental toxicology and chemistry, Volume: 34, Issue: 4		2015
Toxicity and accumulation of trinitrotoluene (TNT) and its metabolites in Atlantic salmon alevins exposed to an industrially polluted water.
Journal of toxicology and environmental health. Part A, Volume: 77, Issue: 19		2014
Algal growth stimulation and toxicity in response to exposure to the new insensitive military high-nitrogen energetic triaminoguanidinium-1-methyl-5-nitriminotetrazolate.
Environmental toxicology and chemistry, Volume: 33, Issue: 3		2014
Toxicity assessment and biodegradation potential of water-soluble sludge containing 2,4,6-trinitrotoluene.
Water science and technology : a journal of the International Association on Water Pollution Research, Volume: 68, Issue: 8		2013
Synergetic toxic effect of an explosive material mixture in soil.
Bulletin of environmental contamination and toxicology, Volume: 91, Issue: 5		2013
Acute toxicity evaluation of explosive wastewater by bacterial bioluminescence assays using a freshwater luminescent bacterium, Vibrio qinghaiensis sp. Nov.
Journal of hazardous materials, Feb-28, Volume: 186, Issue: 2-3		2011
Toxicity of trinitrotoluene to sheepshead minnows in water exposures.
Ecotoxicology and environmental safety, Volume: 73, Issue: 5		2010
Toxicity and bioaccumulation of TNT in marine fish in sediment exposures.
Ecotoxicology and environmental safety, Volume: 73, Issue: 7		2010
Reproductive toxicity of nitroaromatics to the cricket, Acheta domesticus.
The Science of the total environment, Sep-01, Volume: 407, Issue: 18		2009
A structural modelling study on marine sediments toxicity.
Marine drugs, Jun-26, Volume: 6, Issue: 2		2008
Acute toxicity of 2,4,6-trinitrotoluene, 2,4-dinitrotoluene, and 2,6-dinitrotoluene in the adult bullfrog (Lithobates catesbeiana).
Bulletin of environmental contamination and toxicology, Volume: 80, Issue: 6		2008
Toxicity of oral exposure to 2,4,6-trinitrotoluene in the western fence lizard (Sceloporus occidentalis).
Environmental toxicology and chemistry, Volume: 27, Issue: 5		2008
Microtox toxicity test: detoxification of TNT and RDX contaminated solutions by poplar tissue cultures.
Chemosphere, Volume: 71, Issue: 10		2008
Toxicogenomic analysis provides new insights into molecular mechanisms of the sublethal toxicity of 2,4,6-trinitrotoluene in Eisenia fetida.
Environmental science & technology, Dec-01, Volume: 41, Issue: 23		2007
In vivo and in vitro evaluation of the acute toxicity, the genotoxicity, and the irritation potency of two hexachloroethane-based pyrotechnic smokes.
Journal of toxicology and environmental health. Part A, Volume: 70, Issue: 14		2007
Toxicity of explosive compounds to the marine mussel, Mytilus galloprovincialis, in aqueous exposures.
Ecotoxicology and environmental safety, Volume: 68, Issue: 2		2007
Toxicity and bioaccumulation of 2,4,6-trinitrotoluene in fathead minnow (Pimephales promelas).
Environmental toxicology and chemistry, Volume: 25, Issue: 12		2006
TNT leakage through sediment to water and toxicity to Nitocra spinipes.
Ecotoxicology and environmental safety, Volume: 67, Issue: 3		2007
Weathering and aging of 2,4,6-trinitrotoluene in soil increases toxicity to potworm Enchytraeus crypticus.
Environmental toxicology and chemistry, Volume: 24, Issue: 10		2005
Comparative and mixture sediment toxicity of trinitrotoluene and its major transformation products to a freshwater midge.
Archives of environmental contamination and toxicology, Volume: 49, Issue: 3		2005
Assessment of soil toxicity from an antitank firing range using Lumbricus terrestris and Eisenia andrei in mesocosms and laboratory studies.
Ecotoxicology (London, England), Volume: 13, Issue: 6		2004
Assessing cytotoxicity of photosensitized transformation products of 2,4,6-trinitrotoluene (TNT) and atrazine with freshwater microbial assemblages.
Environmental toxicology, Volume: 19, Issue: 5		2004
Flavoenzyme-catalyzed redox cycling of hydroxylamino- and amino metabolites of 2,4,6-trinitrotoluene: implications for their cytotoxicity.
Archives of biochemistry and biophysics, May-15, Volume: 425, Issue: 2		2004
Developmental toxicity of p,p'-dichlorodiphenyltrichloroethane, 2,4,6-trinitrotoluene, their metabolites, and benzo[a]pyrene in Xenopus laevis embryos.
Environmental toxicology and chemistry, Volume: 23, Issue: 4		2004
Toxicity and bioaccumulation of reduced TNT metabolites in the earthworm Eisenia andrei exposed to amended forest soil.
Chemosphere, Volume: 55, Issue: 10		2004
Uptake and phytotoxicity of TNT in onion plant.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 39, Issue: 3		2004
Recommendations for the assessment of TNT toxicity in sediment.
Environmental toxicology and chemistry, Volume: 23, Issue: 1		2004
Phytotoxicity of 2,4,6-trinitrotoluene (TNT) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in spiked artificial and natural forest soils.
Archives of environmental contamination and toxicology, Volume: 44, Issue: 2		2003
2,4,6-trinitrotoluene-induced reproductive toxicity via oxidative DNA damage by its metabolite.
Free radical research, Volume: 36, Issue: 5		2002
Toxicity of the explosives 2,4,6-trinitrotoluene, hexahydro-1,3,5-trinitro-1,3,5-triazine, and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in sediments to Chironomus tentans and Hyalella azteca: low-dose hormesis and high-dose mortality.
Environmental toxicology and chemistry, Volume: 21, Issue: 7		2002
Screening for soil toxicity and mutagenicity using luminescent bacteria--a case study of the explosive 2,4,6-trinitrotoluene (TNT).
Ecotoxicology and environmental safety, Volume: 51, Issue: 2		2002
Quantitative structure-activity relationships in enzymatic single-electron reduction of nitroaromatic explosives: implications for their cytotoxicity.
Biochimica et biophysica acta, Sep-03, Volume: 1528, Issue: 1		2001
Immunotoxicity of explosives-contaminated soil before and after bioremediation.
Archives of environmental contamination and toxicology, Volume: 40, Issue: 3		2001
Transcriptional activation of stress genes and cytotoxicity in human liver carcinoma cells (HepG2) exposed to 2,4,6-trinitrotoluene, 2,4-dinitrotoluene, and 2,6-dinitrotoluene.
Environmental toxicology, Volume: 16, Issue: 3		2001
Potential of activated carbon to decrease 2,4,6-trinitrotoluene toxicity and accelerate soil decontamination.
Environmental toxicology and chemistry, Volume: 20, Issue: 5		2001
Acute toxicity of 2,4,6-trinitrotoluene in earthworm (Eisenia andrei).
Ecotoxicology and environmental safety, Volume: 44, Issue: 3		1999
Cytotoxic and genotoxic effects of energetic compounds on bacterial and mammalian cells in vitro.
Mutation research, Jul-21, Volume: 444, Issue: 1		1999
Cytotoxicity and mutagenicity of a 2,4,6-trinitrotoluene (TNT) and hexogen contaminated soil in S. typhimurium and mammalian cells.
Chemosphere, Volume: 37, Issue: 2		1998
Development of a soil extraction procedure for ecotoxicity characterization of energetic compounds.
Ecotoxicology and environmental safety, Volume: 39, Issue: 3		1998
Assessment of the effectiveness of composting for the reduction of toxicity and mutagenicity of explosive-contaminated soil.
Ecotoxicology and environmental safety, Volume: 39, Issue: 2		1998
Cytotoxicity and mutagenicity of 2,4,6-trinitrotoluene and its metabolites.
Ecotoxicology and environmental safety, Volume: 35, Issue: 3		1996
UV-A coexposure enhances the toxicity of aromatic hydrocarbons, munitions, and metals to Photobacterium phosphoreum.
Biomedical and environmental sciences : BES, Volume: 7, Issue: 2		1994
Phototoxicology. 3. Comparative toxicity of trinitrotoluene and aminodinitrotoluenes to Daphnia magna, Dugesia dorotocephala, and sheep erythrocytes.
Ecotoxicology and environmental safety, Volume: 27, Issue: 1		1994
Phototoxicology. 1. Light-enhanced toxicity of TNT and some related compounds to Daphnia magna and Lytechinus variagatus embryos.
Ecotoxicology and environmental safety, Volume: 27, Issue: 1		1994
Short-term oral toxicity of a 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine mixture in mice, rats, and dogs.
Journal of toxicology and environmental health, Volume: 9, Issue: 4		1982
Short-term oral toxicity of 2,4,6-trinitrotoluene in mice, rats, and dogs.
Journal of toxicology and environmental health, Volume: 9, Issue: 4		1982
Subchronic toxicity of trinitrotoluene in Fischer 344 rats.
Toxicology, Sep-14, Volume: 32, Issue: 3		1984
Six month oral toxicity study of trinitrotoluene in beagle dogs.
Toxicology, Volume: 63, Issue: 2		1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (15)

ArticleYear
Explosive detonation causes an increase in soil porosity leading to increased TNT transformation.
PloS one, Volume: 12, Issue: 12		2017
Bioconcentration factors and plant-water partition coefficients of munitions compounds in barley.
Chemosphere, Volume: 189		2017
Predicting chemical bioavailability using microarray gene expression data and regression modeling: A tale of three explosive compounds.
BMC genomics, Mar-08, Volume: 17		2016
Mobility and bioavailability reduction of soil TNT via sorption enhancement using monopotassium phosphate.
Journal of hazardous materials, Jun-30, Volume: 275		2014
Fate and effects of Composition B in multispecies marine exposures.
Environmental toxicology and chemistry, Volume: 29, Issue: 6		2010
Interaction of hydration, aging, and carbon content of soil on the evaporation and skin bioavailability of munition contaminants.
Journal of toxicology and environmental health. Part A, Volume: 71, Issue: 8		2008
Explosives: fate, dynamics, and ecological impact in terrestrial and marine environments.
Reviews of environmental contamination and toxicology, Volume: 191		2007
Weathering and aging of 2,4,6-trinitrotoluene in soil increases toxicity to potworm Enchytraeus crypticus.
Environmental toxicology and chemistry, Volume: 24, Issue: 10		2005
Solid-phase microextraction for predicting the bioavailability of 2,4,6-trinitrotoluene and its primary transformation products in sediment and water.
Environmental toxicology and chemistry, Volume: 24, Issue: 5		2005
Enhanced bioavailability of sorbed 2,4,6-trinitrotoluene (TNT) by a bacterial consortium.
Chemosphere, Volume: 58, Issue: 3		2005
Nondestructive, minimal-disturbance, direct-burial solid-phase microextraction fiber technique for measuring TNT in sediment.
Environmental science & technology, Apr-15, Volume: 37, Issue: 8		2003
Effect of food-grade surfactant on bioremediation of explosives-contaminated soil.
Journal of hazardous materials, May-03, Volume: 92, Issue: 1		2002
Bioavailability of TNT residues in composts of TNT-contaminated soil.
Journal of toxicology and environmental health, Jun-06, Volume: 51, Issue: 2		1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (24)

ArticleYear
Inhibition effect of 2,4,6-trinitrotoluene (TNT) on RDX degradation by rhodococcus strains isolated from contaminated soil and water.
Environmental pollution (Barking, Essex : 1987), Oct-15, Volume: 311		2022
Photoluminescence detection of 2,4,6-trinitrotoluene (TNT) binding on diatom frustule biosilica functionalized with an anti-TNT monoclonal antibody fragment.
Biosensors & bioelectronics, May-15, Volume: 79		2016
Biotransformation of explosives by Reticulitermes flavipes--associated termite Endosymbionts.
Journal of molecular microbiology and biotechnology, Volume: 24, Issue: 2		2014
The tolerance efficiency of Panicum maximum and Helianthus annuus in TNT-contaminated soil and nZVI-contaminated soil.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 47, Issue: 11		2012
Removal of dinitrotoluenes and trinitrotoluene from industrial wastewater by ultrasound enhanced with titanium dioxide.
Ultrasonics sonochemistry, Volume: 18, Issue: 5		2011
Environmental factors influencing remediation of TNT-contaminated water and soil with nanoscale zero-valent iron particles.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 45, Issue: 3		2010
Sonochemical decomposition of dinitrotoluenes and trinitrotoluene in wastewater.
Journal of hazardous materials, Sep-30, Volume: 169, Issue: 1-3		2009
Electrochemical destruction of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process.
Journal of hazardous materials, Jan-30, Volume: 161, Issue: 2-3		2009
Absorption, tissue distribution, and elimination of residues after 2,4,6-trinitro[14C]toluene administration to sheep.
Environmental science & technology, Apr-01, Volume: 42, Issue: 7		2008
Decomposition of nitrotoluenes from trinitrotoluene manufacturing process by Electro-Fenton oxidation.
Chemosphere, Volume: 72, Issue: 4		2008
Toxicity of oral exposure to 2,4,6-trinitrotoluene in the western fence lizard (Sceloporus occidentalis).
Environmental toxicology and chemistry, Volume: 27, Issue: 5		2008
Interaction of hydration, aging, and carbon content of soil on the evaporation and skin bioavailability of munition contaminants.
Journal of toxicology and environmental health. Part A, Volume: 71, Issue: 8		2008
Decomposition of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process by ozonation and photo-ozonation.
Journal of hazardous materials, Aug-17, Volume: 147, Issue: 1-2		2007
Mineralization of dinitrotoluenes and trinitrotoluene of spent acid in toluene nitration process by Fenton oxidation.
Chemosphere, Volume: 60, Issue: 8		2005
Decolorization of alkaline TNT hydrolysis effluents using UV/H(2)O(2).
Journal of hazardous materials, Apr-30, Volume: 108, Issue: 1-2		2004
Demonstration of four immunoassay formats using the array biosensor.
Analytical chemistry, Mar-01, Volume: 74, Issue: 5		2002
Phototoxicology. 2. Near-ultraviolet light enhancement of Microtox assays of trinitrotoluene and aminodinitrotoluenes.
Ecotoxicology and environmental safety, Volume: 27, Issue: 1		1994
Short-term oral toxicity of 2,4,6-trinitrotoluene in mice, rats, and dogs.
Journal of toxicology and environmental health, Volume: 9, Issue: 4		1982
Trinitrotoluene-induced effects on rat heme metabolism.
Experimental and molecular pathology, Volume: 40, Issue: 3		1984
Persistent ethanol drinking increases liver injury induced by trinitrotoluene exposure: an in-plant case-control study.
Human & experimental toxicology, Volume: 10, Issue: 6		1991
In vivo covalent binding of [14C]trinitrotoluene to proteins in the rat.
Chemico-biological interactions, Volume: 82, Issue: 1		1992
Haemolytic episode in G6 PD deficient workers exposed to TNT.
British journal of industrial medicine, Volume: 32, Issue: 1		1975
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (1)

ArticleYear
Analysis of explosives using corona discharge ionization combined with ion mobility spectrometry-mass spectrometry.
Talanta, Volume: 120		2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]