berotek profile

Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. [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]

ID Source	ID
PubMed CID	3343
CHEMBL ID	32800
CHEMBL ID	537445
CHEBI ID	149226
SCHEMBL ID	5009
MeSH ID	M0008336

Synonym
AC-13630
STL356034
BRD-A97104540-004-04-4
gtpl557
KBIO1_000405
DIVK1C_000405
5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol
fenoterol
brn 2157041
th 1165a
partusisten
fenoterolum [inn-latin]
th 1165
benzyl alcohol, 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)-
berotec
SPECTRUM_001246
PRESTWICK2_000282
PRESTWICK3_000282
IDI1_000405
13392-18-2
fenoterol (usan/inn)
D04157
BSPBIO_000184
SPECTRUM5_001572
BPBIO1_000204
AB00053590
5-{1-hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol
1-(3,5-dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane
1-(p-hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane
3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol
DB01288
phenoterol
KBIO2_001726
KBIOGR_001507
KBIO3_001890
KBIO2_006862
KBIOSS_001726
KBIO2_004294
SPBIO_001376
SPECTRUM4_001014
PRESTWICK1_000282
NINDS_000405
SPBIO_002403
SPECTRUM3_000915
SPECTRUM2_001388
PRESTWICK0_000282
LOPAC0_000544
NCGC00162181-01
NCGC00015430-03
bdbm50131281
5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)benzene-1,3-diol
CHEMBL32800 ,
th 1165a [as hydrobromide salt]
th 1165a free base
th-1165a free base
nsc-757811
L000255
fenoterol hbr
rac-(2s)-n-[(2r)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-1-(4-hydroxyphenyl)propan-2-amonium bromide
CHEMBL537445 ,
bdbm50221768
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CHEBI:149226 ,
fenoterolum
5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol
nsc 757811
fenoterol [usan:inn:ban]
CCG-204634
AKOS015964608
NCGC00015430-02
S5769
BBL023034
SCHEMBL5009
CS-4466
391234-95-0
HY-B0976
5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-1,3-benzenediol
partusisten (salt/mix)
berotec (salt/mix)
benzyl alcohol, 3,5-dihydroxy-.alpha.-(((p-hydroxy-.alpha.-methylphenethyl)amino)methyl)-
1-(p-hydroxyphenyl)-2-((.beta.-hydroxy-.beta.-(3',5'-dihydroxyphenyl))ethyl)aminopropane
AB00053590_10
DTXSID4023046
SBI-0050527.P003
Q420188
th-1165;phenoterol
BRD-A97104540-004-08-5
BCP29485
th-1165;th 1165;th1165; phenoterol;partusisten
SDCCGSBI-0050527.P004
NCGC00015430-11
HMS3886D03
EN300-18530961
1,3-benzenediol,5-[(1s)-1-hydroxy-2-[[(1r)-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-

Role	Description
bronchodilator agent	An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
sympathomimetic agent	A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
beta-adrenergic agonist	An agent that selectively binds to and activates beta-adrenergic receptors.
tocolytic agent	Any compound used to suppress premature labour and immature birth by suppressing uterine contractions.
[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]

Class	Description
secondary amino compound	A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
secondary alcohol	A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
resorcinols	Any benzenediol in which the two hydroxy groups are meta to one another.
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
glp-1 receptor, partial	Homo sapiens (human)	Potency	18.3564	0.0184	6.8060	14.1254	AID624148
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	37.6858	0.1000	20.8793	79.4328	AID588453
GLS protein	Homo sapiens (human)	Potency	4.4668	0.3548	7.9355	39.8107	AID624146
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	3.9811	0.0355	20.9770	89.1251	AID504332
beta-2 adrenergic receptor	Homo sapiens (human)	Potency	5.8048	0.0058	6.0263	32.6427	AID485366
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.1510	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	1,000.0000	0.1100	7.1903	10.0000	AID1449628
Beta-2 adrenergic receptor	Homo sapiens (human)	Ki	0.1260	0.0000	0.6635	9.5499	AID777624
Beta-2 adrenergic receptor	Cavia porcellus (domestic guinea pig)	IC50 (µMol)	0.0600	0.0004	0.1680	0.9772	AID40848
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Beta-2 adrenergic receptor	Homo sapiens (human)	Kd	0.1195	0.0000	0.6288	8.9130	AID770362; AID777628
Beta-2 adrenergic receptor	Cavia porcellus (domestic guinea pig)	EC50 (µMol)	0.0185	0.0002	0.8843	8.2000	AID298201; AID298207
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
diet induced thermogenesis	Beta-2 adrenergic receptor	Homo sapiens (human)
regulation of sodium ion transport	Beta-2 adrenergic receptor	Homo sapiens (human)
transcription by RNA polymerase II	Beta-2 adrenergic receptor	Homo sapiens (human)
receptor-mediated endocytosis	Beta-2 adrenergic receptor	Homo sapiens (human)
smooth muscle contraction	Beta-2 adrenergic receptor	Homo sapiens (human)
cell surface receptor signaling pathway	Beta-2 adrenergic receptor	Homo sapiens (human)
activation of transmembrane receptor protein tyrosine kinase activity	Beta-2 adrenergic receptor	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	Beta-2 adrenergic receptor	Homo sapiens (human)
endosome to lysosome transport	Beta-2 adrenergic receptor	Homo sapiens (human)
response to cold	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of protein kinase A signaling	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of bone mineralization	Beta-2 adrenergic receptor	Homo sapiens (human)
heat generation	Beta-2 adrenergic receptor	Homo sapiens (human)
negative regulation of multicellular organism growth	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of MAPK cascade	Beta-2 adrenergic receptor	Homo sapiens (human)
bone resorption	Beta-2 adrenergic receptor	Homo sapiens (human)
negative regulation of G protein-coupled receptor signaling pathway	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Beta-2 adrenergic receptor	Homo sapiens (human)
negative regulation of smooth muscle contraction	Beta-2 adrenergic receptor	Homo sapiens (human)
brown fat cell differentiation	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of mini excitatory postsynaptic potential	Beta-2 adrenergic receptor	Homo sapiens (human)
adrenergic receptor signaling pathway	Beta-2 adrenergic receptor	Homo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathway	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of cold-induced thermogenesis	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of autophagosome maturation	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of lipophagy	Beta-2 adrenergic receptor	Homo sapiens (human)
cellular response to amyloid-beta	Beta-2 adrenergic receptor	Homo sapiens (human)
response to psychosocial stress	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of cAMP-dependent protein kinase activity	Beta-2 adrenergic receptor	Homo sapiens (human)
positive regulation of AMPA receptor activity	Beta-2 adrenergic receptor	Homo sapiens (human)
norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure	Beta-2 adrenergic receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
amyloid-beta binding	Beta-2 adrenergic receptor	Homo sapiens (human)
beta2-adrenergic receptor activity	Beta-2 adrenergic receptor	Homo sapiens (human)
protein binding	Beta-2 adrenergic receptor	Homo sapiens (human)
adenylate cyclase binding	Beta-2 adrenergic receptor	Homo sapiens (human)
potassium channel regulator activity	Beta-2 adrenergic receptor	Homo sapiens (human)
identical protein binding	Beta-2 adrenergic receptor	Homo sapiens (human)
protein homodimerization activity	Beta-2 adrenergic receptor	Homo sapiens (human)
protein-containing complex binding	Beta-2 adrenergic receptor	Homo sapiens (human)
norepinephrine binding	Beta-2 adrenergic receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
nucleus	Beta-2 adrenergic receptor	Homo sapiens (human)
lysosome	Beta-2 adrenergic receptor	Homo sapiens (human)
endosome	Beta-2 adrenergic receptor	Homo sapiens (human)
early endosome	Beta-2 adrenergic receptor	Homo sapiens (human)
Golgi apparatus	Beta-2 adrenergic receptor	Homo sapiens (human)
plasma membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
endosome membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
apical plasma membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
clathrin-coated endocytic vesicle membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
neuronal dense core vesicle	Beta-2 adrenergic receptor	Homo sapiens (human)
receptor complex	Beta-2 adrenergic receptor	Homo sapiens (human)
plasma membrane	Beta-2 adrenergic receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID496817	Antimicrobial activity against Trypanosoma cruzi	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID624612	Specific activity of expressed human recombinant UGT1A9	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID777628	Binding affinity to N-terminal FLAG-tagged C-terminal His-10-tagged human beta2 adrenoceptor expressed in insect Sf9 cells by surface plasmon resonance analysis	2013	ACS medicinal chemistry letters, Oct-10, Volume: 4, Issue:10	Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.
AID496831	Antimicrobial activity against Cryptosporidium parvum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID298214	Partition coefficient, log P of the compound	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID496821	Antimicrobial activity against Leishmania	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID624609	Specific activity of expressed human recombinant UGT1A6	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID298201	Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID22293	Delta logD (logD6.5 - logD7.4)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID771316	Cellular uptake in human HEK293 cells assessed as human OCT2-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis	2013	Journal of medicinal chemistry, Sep-26, Volume: 56, Issue:18	Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2.
AID496824	Antimicrobial activity against Toxoplasma gondii	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1526753	Intrinsic clearance in human liver microsomes	2019	Journal of medicinal chemistry, 11-14, Volume: 62, Issue:21	Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1.
AID1772567	Apparent permeability of the compound across basolateral side to apical side in dog MDCK-II cells incubated for 150 mins by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives.
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID496823	Antimicrobial activity against Trichomonas vaginalis	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID409956	Inhibition of mouse brain MAOB	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID540211	Fraction unbound in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID771314	Cellular uptake in human HEK293 cells assessed as human OCT2-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis relative to passive uptake	2013	Journal of medicinal chemistry, Sep-26, Volume: 56, Issue:18	Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2.
AID218848	Change in Gibb's free energy at Low affinity beta-2-adrenoceptor in the Chang living cells	1988	Journal of medicinal chemistry, Jun, Volume: 31, Issue:6	Mapping of the beta 2-adrenoceptor on Chang liver cells. Differences between high- and low-affinity receptor states.
AID298212	Agonist activity at adrenergic beta2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction at 100 uM in presence of propranolol	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID496830	Antimicrobial activity against Leishmania major	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID777624	Displacement of [3H]-CGP12177 from human recombinant beta2 adrenoceptor expressed in HEK293 cells after 1 hr by scintillation counting analysis	2013	ACS medicinal chemistry letters, Oct-10, Volume: 4, Issue:10	Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.
AID1585796	Efflux ratio of apparent permeability in human Caco2 cells at 2 uM after 2 hrs by lucifer yellow dye-based LC-MS/MS analysis	2018	Journal of medicinal chemistry, 12-27, Volume: 61, Issue:24	Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID218849	Compound was evaluated for change in Gibb's free energy at Low affinity beta2- adrenoceptor in the membranes of bovine skeletal muscle preparation; Not determined	1988	Journal of medicinal chemistry, Jun, Volume: 31, Issue:6	Mapping of the beta 2-adrenoceptor on Chang liver cells. Differences between high- and low-affinity receptor states.
AID588220	Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset	2008	Toxicology mechanisms and methods, , Volume: 18, Issue:2-3	Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID770362	Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM	2013	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 23, Issue:19	β2-Adrenoceptor agonists in the regulation of mitochondrial biogenesis.
AID40848	In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trachea	2003	Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16	Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lun
AID298211	Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID1585792	Apparent permeability across apical to basolateral side in human Caco2 cells at 2 uM after 2 hrs by lucifer yellow dye-based LC-MS/MS analysis	2018	Journal of medicinal chemistry, 12-27, Volume: 61, Issue:24	Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID194554	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 50 uM	2000	Journal of medicinal chemistry, Apr-20, Volume: 43, Issue:8	3-Alkylamino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxides structurally related to diazoxide and pinacidil as potassium channel openers acting on vascular smooth muscle cells: design, synthesis, and pharmacological evaluation.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID496827	Antimicrobial activity against Leishmania amazonensis	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID771317	Cellular uptake in human HEK293 cells assessed as human OCT1-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis	2013	Journal of medicinal chemistry, Sep-26, Volume: 56, Issue:18	Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2.
AID218847	Change in Gibb's free energy at High affinity beta2- adrenoceptor in Chang living cells.	1988	Journal of medicinal chemistry, Jun, Volume: 31, Issue:6	Mapping of the beta 2-adrenoceptor on Chang liver cells. Differences between high- and low-affinity receptor states.
AID588208	Literature-mined public compounds from Lowe et al phospholipidosis modelling dataset	2010	Molecular pharmaceutics, Oct-04, Volume: 7, Issue:5	Predicting phospholipidosis using machine learning.
AID624606	Specific activity of expressed human recombinant UGT1A1	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID770364	Induction of Mitochondrial biogenesis in rabbit RPT cells at 10 to 3000 nM after 24 hrs by FCCP-OCR assay relative to control	2013	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 23, Issue:19	β2-Adrenoceptor agonists in the regulation of mitochondrial biogenesis.
AID476929	Human intestinal absorption in po dosed human	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Neural computational prediction of oral drug absorption based on CODES 2D descriptors.
AID1449628	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
AID1772566	Apparent permeability of the compound across apical side to basolateral side in dog MDCK-II cells incubated for 150 mins by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives.
AID496819	Antimicrobial activity against Plasmodium falciparum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1585794	Apparent permeability across apical to basolateral side in human Caco2 cells assessed as mean drug recovery at 2 uM after 2 hrs by lucifer yellow dye-based LC-MS/MS analysis	2018	Journal of medicinal chemistry, 12-27, Volume: 61, Issue:24	Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.
AID496820	Antimicrobial activity against Trypanosoma brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID497005	Antimicrobial activity against Pneumocystis carinii	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID298204	Antioxidant activity in rat hepatic microsomal membrane	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID1585793	Apparent permeability across basolateral to apical side in human Caco2 cells at 2 uM after 2 hrs by lucifer yellow dye-based LC-MS/MS analysis	2018	Journal of medicinal chemistry, 12-27, Volume: 61, Issue:24	Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.
AID567091	Drug absorption in human assessed as human intestinal absorption rate	2011	European journal of medicinal chemistry, Jan, Volume: 46, Issue:1	Prediction of drug intestinal absorption by new linear and non-linear QSPR.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1585795	Apparent permeability across basolateral to apical side in human Caco2 cells assessed as mean drug recovery at 2 uM after 2 hrs by lucifer yellow dye-based LC-MS/MS analysis	2018	Journal of medicinal chemistry, 12-27, Volume: 61, Issue:24	Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID409954	Inhibition of mouse brain MAOA	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID26304	Partition coefficient (logD6.5)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID771315	Cellular uptake in human HEK293 cells assessed as human OCT1-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis relative to passive uptake	2013	Journal of medicinal chemistry, Sep-26, Volume: 56, Issue:18	Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2.
AID496829	Antimicrobial activity against Leishmania infantum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1772568	Efflux ratio of apparent permeability in dog MDCK-II cells	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives.
AID496826	Antimicrobial activity against Entamoeba histolytica	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID194552	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 10 uM	2000	Journal of medicinal chemistry, Apr-20, Volume: 43, Issue:8	3-Alkylamino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxides structurally related to diazoxide and pinacidil as potassium channel openers acting on vascular smooth muscle cells: design, synthesis, and pharmacological evaluation.
AID194553	Effect on Oxytocin-Induced contractions of rat uterus at concentrations 100 uM	2000	Journal of medicinal chemistry, Apr-20, Volume: 43, Issue:8	3-Alkylamino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxides structurally related to diazoxide and pinacidil as potassium channel openers acting on vascular smooth muscle cells: design, synthesis, and pharmacological evaluation.
AID496825	Antimicrobial activity against Leishmania mexicana	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID298207	Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction	2007	Journal of medicinal chemistry, Oct-04, Volume: 50, Issue:20	Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.
AID496828	Antimicrobial activity against Leishmania donovani	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID496832	Antimicrobial activity against Trypanosoma brucei rhodesiense	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID496818	Antimicrobial activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID29811	Oral bioavailability in human	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID29359	Ionization constant (pKa)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1346250	Human beta2-adrenoceptor (Adrenoceptors)	2013	ACS medicinal chemistry letters, Oct-10, Volume: 4, Issue:10	Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Highly predictive and interpretable models for PAMPA permeability.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	918 (56.28)	18.7374
1990's	426 (26.12)	18.2507
2000's	161 (9.87)	29.6817
2010's	107 (6.56)	24.3611
2020's	19 (1.16)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	520 (29.12%)	5.53%
Reviews	60 (3.36%)	6.00%
Case Studies	61 (3.42%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,145 (64.11%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
albuterol	[no description available]	high	270	82	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
albuterol	[no description available]	high	270	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprenolol	[no description available]	high	7	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
cgp 12177	[no description available]	medium	6	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
clenbuterol	[no description available]	high	37	9	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clenbuterol	[no description available]	high	37	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
metaproterenol	[no description available]	high	61	11	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
metaproterenol	[no description available]	high	61	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
pindolol	[no description available]	medium	16	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pindolol	[no description available]	medium	16	3	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
practolol	[no description available]	high	5	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
pronethalol	[no description available]	medium	1	0	naphthalenes
sotalol	[no description available]	high	7	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
terbutaline	[no description available]	high	112	30	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terbutaline	[no description available]	high	112	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tulobuterol	[no description available]	medium	11	0	organochlorine compound
tulobuterol	[no description available]	medium	11	6	organochlorine compound
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol	[no description available]	medium	1	0	catechols
nifenalol	[no description available]	medium	1	0	C-nitro compound
toliprolol	[no description available]	medium	1	0	aromatic ether
dexpropranolol	[no description available]	medium	2	0	propranolol
deterenol	[no description available]	medium	1	0
colterol	[no description available]	high	1	0	catechols; ethanolamines; secondary alcohol; secondary amino compound; triol	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
timolol	[no description available]	medium	10	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
prenalterol	[no description available]	medium	5	0	aromatic ether
dihydroalprenolol	[no description available]	medium	2	0
L-isoprenaline	[no description available]	medium	1	0	catecholamine; phenylethanolamines	beta-adrenergic agonist; sympathomimetic agent
diazoxide	[no description available]	high	9	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pinacidil	[no description available]	medium	2	0	pyridines
bpdz 44	[no description available]	medium	1	0
4-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
benzoic acid	[no description available]	medium	1	0	benzoic acids	algal 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
benzyl alcohol	[no description available]	medium	2	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
butyric acid	[no description available]	medium	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
salicylic acid	[no description available]	medium	3	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid	[no description available]	medium	1	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
octanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
4-aminophenol	[no description available]	medium	1	0	aminophenol	allergen; metabolite
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n,n-dimethylaniline	[no description available]	medium	1	0	dimethylaniline; tertiary amine
4-nitrophenol	[no description available]	medium	1	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
tryptophan	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
2-aminofluorene	[no description available]	medium	1	0
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
oxyquinoline	[no description available]	medium	2	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acetaminophen	[no description available]	medium	10	0	acetamides; 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
amitriptyline	[no description available]	medium	9	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
aspirin	[no description available]	medium	15	0	benzoic 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
aspirin	[no description available]	medium	15	2	benzoic 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
beta-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
bumetanide	[no description available]	medium	7	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbamazepine	[no description available]	medium	8	0	dibenzoazepine; 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
chlorpheniramine	[no description available]	medium	3	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	8	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofibrate	[no description available]	medium	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	5	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	1	0	sulfonamide
4-cresol	[no description available]	medium	1	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	5	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
decanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
desipramine	[no description available]	medium	9	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diflunisal	[no description available]	medium	6	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	4	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
valproic acid	[no description available]	medium	8	0	branched-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]	medium	3	0	dibenzooxepine; tertiary amino compound	antidepressant
doxylamine	[no description available]	medium	3	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethacrynic acid	[no description available]	medium	3	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenoprofen	[no description available]	medium	2	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine	[no description available]	medium	4	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
fluorescite	[no description available]	medium	2	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
furosemide	[no description available]	medium	11	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
ibuprofen	[no description available]	medium	7	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
imipramine	[no description available]	medium	8	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	18	0	aromatic 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
ketoprofen	[no description available]	medium	8	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
ketotifen	[no description available]	medium	8	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	high	11	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	3	0	1,2,4-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
lauric acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
lorazepam	[no description available]	medium	5	0	benzodiazepine
losartan	[no description available]	medium	4	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
losartan	[no description available]	medium	4	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine	[no description available]	medium	2	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
meperidine	[no description available]	medium	4	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesalamine	[no description available]	medium	3	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mexiletine	[no description available]	medium	6	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mitoxantrone	[no description available]	medium	4	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nortriptyline	[no description available]	medium	6	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxyphenbutazone	[no description available]	medium	2	0	phenols; 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]	medium	2	0	aminobenzoic acid; phenols	antitubercular agent
pheniramine	[no description available]	medium	3	0	pyridines; tertiary amino compound
phenobarbital	[no description available]	medium	8	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	medium	8	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	3	0	phenols
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenylbutazone	[no description available]	medium	3	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
probenecid	[no description available]	medium	6	0	benzoic acids; sulfonamide	uricosuric drug
promethazine	[no description available]	medium	6	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol	[no description available]	medium	45	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propranolol	[no description available]	medium	45	2	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate	[no description available]	medium	1	0	trihydroxybenzoic acid
pyrilamine	[no description available]	medium	2	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
1,2,5,8-tetrahydroxy anthraquinone	[no description available]	medium	1	0	tetrahydroxyanthraquinone	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
salicylamide	[no description available]	medium	2	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sulfadimethoxine	[no description available]	medium	3	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfathiazole	[no description available]	medium	2	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfinpyrazone	[no description available]	medium	3	0	pyrazolidines; sulfoxide	uricosuric drug
suprofen	[no description available]	medium	2	0	aromatic 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
temazepam	[no description available]	medium	2	0	benzodiazepine
terfenadine	[no description available]	medium	3	0	diarylmethane
thonzylamine	[no description available]	medium	1	0	methoxybenzenes
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	3	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	medium	2	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
tripelennamine	[no description available]	medium	3	0	aromatic amine
zomepirac	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
corticosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
estriol	[no description available]	medium	8	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
estriol	[no description available]	medium	8	1	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
2-aminophenol	[no description available]	medium	1	0	aminophenol	bacterial metabolite
thyroxine	[no description available]	medium	2	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
aldosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
tetrahydrocortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone
prednisone	[no description available]	medium	8	0	11-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
prednisone	[no description available]	medium	8	3	11-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
tetrahydrocortisone	[no description available]	medium	1	0	21-hydroxy steroid
estrone	[no description available]	medium	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
etiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
hydroxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes
triiodothyronine	[no description available]	medium	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
benz(a)anthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes
chloramphenicol	[no description available]	medium	9	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
ethinyl estradiol	[no description available]	medium	7	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
aniline	[no description available]	medium	2	0	anilines; primary arylamine
desoxycorticosterone	[no description available]	medium	5	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
norethindrone	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	0	oxo steroid
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
ampicillin	[no description available]	medium	8	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
alizarin	[no description available]	medium	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
linalool	[no description available]	medium	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
1,4-dihydroxyanthraquinone	[no description available]	medium	1	0	dihydroxyanthraquinone	dye
cyclizine	[no description available]	medium	3	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
2,6-dihydroxyanthraquinone	[no description available]	medium	1	0	dihydroxyanthraquinone	antimutagen; plant metabolite
9,10-anthraquinone	[no description available]	medium	1	0	anthraquinone
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
1-naphthol	[no description available]	medium	1	0	naphthol	genotoxin; human xenobiotic metabolite
2-aminodiphenyl	[no description available]	medium	1	0
2-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
2-naphthylamine	[no description available]	medium	1	0	naphthylamine	carcinogenic agent
4-biphenylamine	[no description available]	medium	1	0	aminobiphenyl	carcinogenic agent
4-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls
benzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	carcinogenic agent
4,4'-dihydroxybiphenyl	[no description available]	medium	1	0	hydroxybiphenyls
propylparaben	[no description available]	medium	2	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
butylphen	[no description available]	medium	1	0	phenols	allergen
methylparaben	[no description available]	medium	2	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
4-isopropylphenol	[no description available]	medium	1	0	phenols	flavouring agent
4-hydroxyacetophenone	[no description available]	medium	1	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
4-benzylphenol	[no description available]	medium	1	0
2-ethylhexanol	[no description available]	medium	1	0	primary alcohol	plant metabolite; volatile oil component
2,2,2-trichloroethanol	[no description available]	medium	1	0	chloroethanol	mouse metabolite
anthrarufin	[no description available]	medium	1	0	dihydroxyanthraquinone
2-toluic acid	[no description available]	medium	1	0	methylbenzoic acid	xenobiotic metabolite
ethyl-p-hydroxybenzoate	[no description available]	medium	1	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
3-tert-butyl-4-hydroxyanisole	[no description available]	medium	1	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
2-naphthol	[no description available]	medium	1	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
citronellol	[no description available]	medium	1	0	monoterpenoid	plant metabolite
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
pregnenolone	[no description available]	medium	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
ditiocarb	[no description available]	medium	3	0	dithiocarbamic acids	chelator; copper chelator
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
catechin	[no description available]	medium	1	0	catechin	antioxidant; plant metabolite
phenetidine	[no description available]	medium	2	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
4-hydroxyphenobarbital	[no description available]	medium	1	0	barbiturates
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
epitestosterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
chrysophanic acid	[no description available]	medium	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
carvacrol	[no description available]	medium	1	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
androstenediol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
1,2,3,4-tetrahydro-1-naphthalenol	[no description available]	medium	1	0
4-iodophenol	[no description available]	medium	1	0	iodophenol
myristic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	medium	1	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
6-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline
3-hydroxybiphenyl	[no description available]	medium	1	0	hydroxybiphenyls
diphenylamine	[no description available]	medium	1	0	aromatic 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
alpha-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
4-propylphenol	[no description available]	medium	1	0	alkylbenzene
hexafluoroisopropanol	[no description available]	medium	1	0	organofluorine compound; secondary alcohol	drug metabolite
d-alpha tocopherol	[no description available]	medium	1	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
fenchol	[no description available]	medium	1	0
4-n-Butylphenol	[no description available]	medium	1	0	phenols
4-hydroxyazobenzene	[no description available]	medium	1	0
4-nitrothiophenolate	[no description available]	medium	1	0
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
menthol	[no description available]	medium	1	0	p-menthan-3-ol	antipruritic drug; antispasmodic drug; antitussive
hydroxyphenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; phenols	metabolite
mono-(2-ethylhexyl)phthalate	[no description available]	medium	1	0	phthalic acid monoester
1-naphthalenemethanol	[no description available]	medium	1	0	naphthylmethanol	mouse metabolite
butylated hydroxyanisole	[no description available]	medium	1	0
3-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
4-n-Pentylphenol	[no description available]	medium	1	0	phenols
9-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
n-phenylethanolamine	[no description available]	medium	1	0	aralkylamine
4-ethylphenol	[no description available]	medium	1	0	phenols	fungal xenobiotic metabolite
ursodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone	[no description available]	medium	2	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
butylated hydroxytoluene	[no description available]	medium	1	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
zidovudine	[no description available]	medium	7	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
6-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
benoxaprofen	[no description available]	medium	2	0	1,3-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
2-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
octyl gallate	[no description available]	medium	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
2',7'-dichlorofluorescein	[no description available]	medium	1	0	2-benzofurans	fluorochrome
16-hydroxytestosterone	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol	androgen
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
5,6,7,8-tetrahydro-1-naphthol	[no description available]	medium	1	0	tetralins
alfatradiol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol	estrogen; geroprotector
4-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline; quinolone
17-alpha-hydroxypregnenolone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
5-(3-hydroxyphenyl)-5-phenylhydantoin	[no description available]	medium	1	0
7-amino-4-methylcoumarin	[no description available]	medium	1	0	7-aminocoumarins	fluorochrome
11-hydroxyprogesterone, (11alpha)-isomer	[no description available]	medium	1	0	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
3,5-diiodothyronine, (l)-isomer	[no description available]	medium	1	0	phenylalanine derivative
harmol hydrochloride	[no description available]	medium	1	0
diosgenin	[no description available]	medium	1	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer	[no description available]	medium	1	0	sapogenin	gout suppressant; plant metabolite
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite
2-methoxyestriol	[no description available]	medium	1	0
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	medium	1	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
ecopipam	[no description available]	medium	1	0	benzazepine
ibuprofen, (r)-isomer	[no description available]	medium	1	0	ibuprofen
11-hydroxytestosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite
norbuprenorphine	[no description available]	medium	1	0	phenanthrenes
benzo(a)pyrene-3,6-quinol	[no description available]	medium	1	0
naproxen	[no description available]	medium	6	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
cortolone	[no description available]	medium	1	0	21-hydroxy steroid
carbocysteine	[no description available]	medium	3	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cortol	[no description available]	medium	1	0	21-hydroxy steroid
21-hydroxypregnenolone	[no description available]	medium	1	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
2-hydroxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
epietiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
2-hydroxyestrone	[no description available]	medium	1	0	2-hydroxy steroid; catechols	human metabolite
epiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
1-alpha-terpineol	[no description available]	medium	1	0	alpha-terpineol	plant metabolite
diprenorphine	[no description available]	medium	1	0	morphinane alkaloid
ergosterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin	[no description available]	medium	3	0	retinoic 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]	medium	3	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	medium	2	0	2-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
diethylstilbestrol	[no description available]	medium	2	0	olefinic 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
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
dienestrol	[no description available]	medium	1	0
captax	[no description available]	medium	1	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
thiothixene	[no description available]	medium	3	0	N-methylpiperazine	anticoronaviral agent
chlorogenic acid	[no description available]	medium	1	0	cinnamate ester; tannin	food component; plant metabolite
sch 23390	[no description available]	medium	1	0	benzazepine
digitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid
quercetin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin	[no description available]	medium	5	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	2	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
vitamin d 2	[no description available]	medium	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
esculetin	[no description available]	medium	1	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
7-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin	[no description available]	medium	2	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
fisetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
4-hydroxyestradiol	[no description available]	medium	1	0	4-hydroxy steroid	metabolite
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
hyodeoxycholic acid	[no description available]	medium	1	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
codeine	[no description available]	medium	7	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
hydromorphone	[no description available]	medium	3	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene	[no description available]	medium	2	0	morphinane alkaloid
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	7	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	4	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxymorphone	[no description available]	medium	3	0	morphinane alkaloid
6alpha-hydroxy-17beta-estradiol	[no description available]	medium	1	0	6alpha-hydroxy steroid
morphine	[no description available]	medium	8	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
nalbuphine	[no description available]	medium	3	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
cinnamyl alcohol	[no description available]	medium	1	0	cinnamyl alcohol	plant metabolite
levorphanol	[no description available]	medium	2	0	morphinane alkaloid
naltrexone	[no description available]	medium	5	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
normorphine	[no description available]	medium	1	0	morphinane alkaloid
naltrindole benzofuran	[no description available]	medium	1	0	morphinane alkaloid
naltrindole	[no description available]	medium	1	0	isoquinolines
19-hydroxycholesterol	[no description available]	medium	1	0	cholestanoid
borneol	[no description available]	medium	1	0	borneol
norcodeine	[no description available]	medium	1	0	morphinane alkaloid
4-hydroxyestrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
11 beta-hydroxyandrosterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
2-hydroxyestriol	[no description available]	medium	1	0
novobiocin	[no description available]	medium	3	0	carbamate 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]	medium	6	0
4-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin
rifampin	[no description available]	medium	5	0	cyclic 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]	medium	8	0	benzodiazepine; 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
norclozapine	[no description available]	medium	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
coumarin	[no description available]	medium	2	0	coumarins	fluorescent dye; human metabolite; plant metabolite
phenytoin	[no description available]	medium	5	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
tacrine	[no description available]	medium	4	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	high	8	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
alprazolam	[no description available]	medium	5	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
amantadine	[no description available]	medium	5	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
theophylline	[no description available]	high	65	19	dimethylxanthine	adenosine 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
theophylline	[no description available]	high	65	0	dimethylxanthine	adenosine 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]	medium	7	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	5	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	1	0	barbiturates
atenolol	[no description available]	medium	25	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
atenolol	[no description available]	medium	25	3	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
bepridil	[no description available]	medium	4	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betaxolol	[no description available]	medium	9	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	3	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bevantolol	[no description available]	medium	3	1	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bisoprolol	[no description available]	medium	4	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
brotizolam	[no description available]	medium	2	0	organic molecular entity
caffeine	[no description available]	medium	8	0	purine 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]	medium	66	0	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	medium	66	5	aromatic ether; nitrile; polyether; tertiary amino compound
carteolol	[no description available]	high	5	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	3	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	3	0	benzodiazepine
chloroquine	[no description available]	medium	6	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	5	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	6	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	4	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	2	0	diarylmethane
cimetidine	[no description available]	medium	9	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cisapride	[no description available]	medium	2	0	benzamides
citalopram	[no description available]	medium	5	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clomipramine	[no description available]	medium	6	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine	[no description available]	medium	9	0	clonidine; imidazoline
nordazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	medium	10	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	high	7	0	amino 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
disopyramide	[no description available]	medium	4	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
domperidone	[no description available]	medium	5	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	3	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
ethosuximide	[no description available]	medium	4	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etilefrine	[no description available]	medium	3	0	phenols
etodolac	[no description available]	medium	2	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felodipine	[no description available]	medium	5	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenfluramine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
flecainide	[no description available]	medium	9	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	4	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flumazenil	[no description available]	medium	3	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	5	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	5	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	3	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemfibrozil	[no description available]	medium	4	0	aromatic ether	antilipemic drug
glipizide	[no description available]	medium	2	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	7	0	monochlorobenzenes; 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
haloperidol	[no description available]	medium	7	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexobarbital	[no description available]	medium	2	0	barbiturates
hydralazine	[no description available]	medium	7	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	5	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
lidocaine	[no description available]	medium	8	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
lidocaine	[no description available]	medium	8	2	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
amrinone	[no description available]	medium	8	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
isoniazid	[no description available]	medium	7	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	high	121	22	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoproterenol	[no description available]	high	121	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	2	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	4	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketorolac	[no description available]	medium	4	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
lansoprazole	[no description available]	medium	5	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine	[no description available]	medium	2	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
mabuterol	[no description available]	medium	2	0	(trifluoromethyl)benzenes
mabuterol	[no description available]	medium	2	1	(trifluoromethyl)benzenes
maprotiline	[no description available]	medium	5	0	anthracenes
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
methadone	[no description available]	medium	4	0	benzenes; diarylmethane; ketone; tertiary amino compound
metoclopramide	[no description available]	medium	4	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	high	25	3	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metoprolol	[no description available]	high	25	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	6	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mianserin	[no description available]	medium	6	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
midazolam	[no description available]	medium	4	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone	[no description available]	medium	2	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
mirtazapine	[no description available]	medium	2	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nabumetone	[no description available]	medium	2	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nevirapine	[no description available]	medium	3	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	5	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nicardipine	[no description available]	medium	5	1	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine	[no description available]	high	13	1	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nifedipine	[no description available]	high	13	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nilvadipine	[no description available]	medium	2	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimodipine	[no description available]	medium	4	0	2-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]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	7	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nizatidine	[no description available]	medium	3	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
omeprazole	[no description available]	medium	4	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	3	0	carbazoles
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxprenolol	[no description available]	medium	5	0	aromatic ether
pentoxifylline	[no description available]	medium	3	0	oxopurine
perphenazine	[no description available]	medium	7	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pirenzepine	[no description available]	medium	5	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
prazosin	[no description available]	medium	8	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	5	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	3	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probucol	[no description available]	medium	3	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	6	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	3	0	N-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
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
propafenone	[no description available]	medium	3	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
protriptyline	[no description available]	medium	3	0	carbotricyclic compound	antidepressant
raloxifene	[no description available]	medium	1	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	6	0	aralkylamine
riluzole	[no description available]	medium	2	0	benzothiazoles
risperidone	[no description available]	medium	3	0	1,2-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
sulfadiazine	[no description available]	medium	4	0	pyrimidines; 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
sulfamethoxazole	[no description available]	medium	7	0	isoxazoles; 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
sulfisoxazole	[no description available]	medium	4	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulpiride	[no description available]	medium	4	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan	[no description available]	medium	7	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terazosin	[no description available]	medium	4	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
thioridazine	[no description available]	medium	5	0	phenothiazines; 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
tizanidine	[no description available]	medium	3	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	7	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
ultram	[no description available]	medium	4	0	aromatic ether; tertiary alcohol; tertiary amino compound
trazodone	[no description available]	medium	2	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	4	0	pteridines	diuretic; sodium channel blocker
triazolam	[no description available]	medium	3	0	triazolobenzodiazepine	sedative
trimethoprim	[no description available]	medium	8	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	6	0	piperazines
venlafaxine	[no description available]	medium	5	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
prednisolone	[no description available]	medium	14	0	11beta-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
prednisolone	[no description available]	medium	14	1	11beta-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
spironolactone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
phenylephrine	[no description available]	high	15	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
oxacillin	[no description available]	medium	3	0	penicillin	antibacterial agent; antibacterial drug
methylprednisolone	[no description available]	medium	14	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
methylprednisolone	[no description available]	medium	14	1	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
nafcillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
betamethasone	[no description available]	medium	18	0	11beta-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
betamethasone	[no description available]	medium	18	1	11beta-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
dextropropoxyphene	[no description available]	medium	4	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
chlormethiazole	[no description available]	medium	2	0	thiazoles
ethambutol	[no description available]	medium	5	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	6	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	3	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
dicloxacillin	[no description available]	medium	4	0	dichlorobenzene; penicillin	antibacterial drug
zalcitabine	[no description available]	medium	4	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
selegiline	[no description available]	medium	4	0	selegiline; terminal acetylenic compound	geroprotector
clemastine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
du-21220	[no description available]	high	48	7	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
du-21220	[no description available]	high	48	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
indoramin	[no description available]	medium	5	0	tryptamines
moricizine	[no description available]	medium	3	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
medifoxamine	[no description available]	medium	1	0	aromatic ether
dobutamine	[no description available]	high	13	1	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
dobutamine	[no description available]	high	13	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
penbutolol	[no description available]	medium	1	0	ethanolamines
tocainide	[no description available]	medium	4	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	7	0
diltiazem	[no description available]	medium	4	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
diltiazem	[no description available]	medium	4	1	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
meptazinol	[no description available]	medium	3	0	azepanes
lorcainide	[no description available]	medium	3	0	acetamides
paroxetine	[no description available]	medium	3	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	6	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
encainide	[no description available]	medium	2	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
lovastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	3	0	aromatic ketone
simvastatin	[no description available]	medium	2	0	delta-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
mibefradil	[no description available]	medium	4	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	2	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
rilmenidine	[no description available]	medium	1	0	isourea
diprafenone	[no description available]	medium	2	0	aromatic compound
uk 68798	[no description available]	medium	3	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
bufuralol	[no description available]	medium	2	0	benzofurans
epanolol	[no description available]	medium	2	0	acetamides
methotrimeprazine	[no description available]	medium	4	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
atovaquone	[no description available]	medium	3	0	hydroxy-1,2-naphthoquinone
nicotine	[no description available]	medium	3	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
methotrexate	[no description available]	medium	7	0	dicarboxylic 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
xamoterol	[no description available]	medium	4	0	morpholines
atropine	[no description available]	medium	27	0
atropine	[no description available]	medium	27	3
rimiterol	[no description available]	medium	4	0	catechols
rimiterol	[no description available]	medium	4	1	catechols
quinidine	[no description available]	medium	7	0	cinchona alkaloid	alpha-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
dironyl	[no description available]	medium	1	0	organic molecular entity
mercaptopurine	[no description available]	medium	4	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
terbinafine	[no description available]	medium	2	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
raclopride	[no description available]	medium	1	0	salicylamides
quinine	[no description available]	medium	4	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
zofenoprilate	[no description available]	medium	1	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
zuclopenthixol	[no description available]	medium	1	0	clopenthixol	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
famotidine	[no description available]	medium	5	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
nitrofurantoin	[no description available]	medium	5	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	2	0	nitrofuran antibiotic
scopolamine hydrobromide	[no description available]	medium	4	0
mobiflex	[no description available]	medium	5	0	heteroaryl 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]	medium	6	0	benzenes; hydroxycoumarin; methyl ketone
ajmaline	[no description available]	medium	1	0
olanzapine	[no description available]	medium	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
allopurinol	[no description available]	medium	6	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
4-ethoxy-3-phenylsulfonylfuroxan	[no description available]	medium	1	0
quinacrine	[no description available]	medium	8	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
aminocaproic acid	[no description available]	medium	3	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	2	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acetazolamide	[no description available]	medium	3	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
alfuzosin	[no description available]	medium	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
alosetron	[no description available]	medium	1	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
diatrizoic acid	[no description available]	medium	1	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine	[no description available]	medium	5	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
azelastine	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
biperiden	[no description available]	medium	1	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bromazepam	[no description available]	medium	2	0	organic molecular entity
bromopride	[no description available]	medium	1	0	benzamides
buflomedil	[no description available]	medium	1	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
bupivacaine	[no description available]	medium	3	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
busulfan	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
metrizoate	[no description available]	medium	2	0	monocarboxylic acid	radioopaque medium
carmustine	[no description available]	medium	5	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
ciprofloxacin	[no description available]	medium	3	0	aminoquinoline; 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
chlorazepate	[no description available]	medium	2	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
amphetamine	[no description available]	medium	3	0	primary amine
doxapram	[no description available]	medium	2	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
dyphylline	[no description available]	high	4	1	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
dyphylline	[no description available]	high	4	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
fenspiride	[no description available]	medium	1	0	azaspiro compound
fentanyl	[no description available]	medium	3	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
foscarnet	[no description available]	medium	3	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
gabapentin	[no description available]	medium	3	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	2	0	sulfonamide
granisetron	[no description available]	medium	2	0	aromatic amide; indazoles
guanfacine	[no description available]	medium	1	0	acetamides
hydroflumethiazide	[no description available]	medium	3	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxyurea	[no description available]	medium	4	0	one-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
hypericin	[no description available]	medium	1	0
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
iohexol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	1	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
iothalamic acid	[no description available]	medium	3	0	organic molecular entity
avapro	[no description available]	medium	1	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
itraconazole	[no description available]	medium	1	0	piperazines
ketanserin	[no description available]	medium	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
letrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
mepivacaine	[no description available]	medium	2	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	2	0	organic molecular entity
metformin	[no description available]	medium	7	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	4	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	3	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	3	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
acecainide	[no description available]	medium	2	0	acetamides; benzamides	anti-arrhythmia drug
naratriptan	[no description available]	medium	2	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nefazodone	[no description available]	medium	4	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
nomifensine	[no description available]	medium	4	0	isoquinolines	dopamine uptake inhibitor
ofloxacin	[no description available]	medium	5	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	1	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
pamidronate	[no description available]	medium	3	0	phosphonoacetic acid
pantoprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
papaverine	[no description available]	medium	8	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentamidine	[no description available]	medium	6	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentobarbital	[no description available]	medium	2	0	barbiturates	GABAA receptor agonist
phenacetin	[no description available]	medium	5	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	3	0	organohalogen compound; pyrimidines
pimobendan	[no description available]	medium	2	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
piretanide	[no description available]	medium	2	0	aromatic ether
prilocaine	[no description available]	medium	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
promazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
pyridostigmine	[no description available]	medium	1	0	pyridinium ion
pyrimethamine	[no description available]	medium	3	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole	[no description available]	medium	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
rizatriptan	[no description available]	medium	2	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
risedronic acid	[no description available]	medium	3	0	pyridines
imatinib	[no description available]	medium	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
suramin	[no description available]	medium	3	0	naphthalenesulfonic 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]	medium	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide	[no description available]	medium	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
thiotepa	[no description available]	medium	3	0	aziridines
tinidazole	[no description available]	medium	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tranexamic acid	[no description available]	medium	2	0	amino acid
trimetrexate	[no description available]	medium	2	0
trimipramine	[no description available]	medium	3	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
viloxazine	[no description available]	medium	2	0	aromatic ether
zaleplon	[no description available]	medium	1	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zolpidem	[no description available]	medium	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zopiclone	[no description available]	medium	2	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
penicillin g	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
vincristine	[no description available]	medium	2	0	acetate 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
apomorphine	[no description available]	medium	2	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	2	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	2	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	4	0	amino 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
methicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
colchicine	[no description available]	medium	5	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
triamcinolone acetonide	[no description available]	medium	1	0	11beta-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
phencyclidine	[no description available]	medium	1	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	4	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	medium	2	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	1	0	bromide salt
methohexital	[no description available]	medium	1	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
pirinitramide	[no description available]	medium	1	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	2	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
galantamine	[no description available]	medium	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
ketobemidone	[no description available]	medium	1	0	piperidines
methamphetamine	[no description available]	medium	2	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
acetylcysteine	[no description available]	medium	3	0	acetylcysteine; 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	[no description available]	medium	9	0	cyclic ketone; erythromycin
levonorgestrel	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
lormetazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	sedative
vinblastine	[no description available]	medium	4	0
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	1	0	aromatic ketone
spectinomycin	[no description available]	medium	3	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	2	0	aromatic ketone
chlordesmethyldiazepam	[no description available]	medium	1	0	benzodiazepine
stavudine	[no description available]	medium	3	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
streptomycin	[no description available]	medium	4	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	1	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
floxacillin	[no description available]	medium	5	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
olsalazine	[no description available]	medium	4	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	1	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
metocurine iodide	[no description available]	medium	1	0	aromatic ether
apazone	[no description available]	medium	2	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
cephalexin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	3	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
cephapirin	[no description available]	medium	2	0	cephalosporin	antibacterial drug
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
cefazolin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	7	0	penicillin allergen; penicillin	antibacterial drug
toloxatone	[no description available]	medium	1	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
amdinocillin	[no description available]	medium	1	0	penicillin	antibacterial drug; antiinfective agent
tobramycin	[no description available]	medium	5	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	6	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
ticarcillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
ribavirin	[no description available]	medium	3	0	1-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
adinazolam	[no description available]	medium	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
amikacin	[no description available]	medium	3	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
tolamolol	[no description available]	medium	1	0
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	8	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
sulbenicillin	[no description available]	medium	1	0	penicillin
vecuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
sufentanil	[no description available]	medium	2	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
torsemide	[no description available]	medium	3	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
medroxalol	[no description available]	medium	1	0	salicylamides
epirubicin	[no description available]	medium	2	0	aminoglycoside; 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
cefmetazole	[no description available]	medium	1	0	cephalosporin	antibacterial drug
idarubicin	[no description available]	medium	3	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
cefoperazone	[no description available]	medium	1	0	cephalosporin	antibacterial drug
atracurium	[no description available]	medium	2	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
endralazine	[no description available]	medium	1	0	benzamides
cefadroxil anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug
pefloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
alfentanil	[no description available]	medium	4	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	2	0
recainam	[no description available]	medium	3	0
flupirtine	[no description available]	medium	2	0	aminopyridine
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
pravastatin	[no description available]	medium	3	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
bambuterol	[no description available]	medium	4	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine	[no description available]	medium	2	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
trospectomycin	[no description available]	medium	2	0	dioxanes
finasteride	[no description available]	medium	1	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
sematilide	[no description available]	medium	2	0
esmolol	[no description available]	medium	2	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin	[no description available]	medium	1	0	quinolines
adefovir	[no description available]	medium	3	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
loxiglumide	[no description available]	medium	1	0	organic molecular entity
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
cidofovir anhydrous	[no description available]	medium	2	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
tiagabine	[no description available]	medium	3	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide	[no description available]	medium	1	0	benzenes; organic amino compound
aripiprazole	[no description available]	medium	2	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil	[no description available]	medium	1	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
lamivudine	[no description available]	medium	4	0	monothioacetal; 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
irinotecan	[no description available]	medium	1	0	carbamate 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]	medium	3	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ibandronic acid	[no description available]	medium	2	0
ziprasidone	[no description available]	medium	4	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
zanamivir	[no description available]	medium	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan	[no description available]	medium	1	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
tirofiban	[no description available]	medium	1	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fosinoprilat	[no description available]	medium	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin	[no description available]	medium	3	0
cefprozil	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
iopamidol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	1	0	glutamic acid derivative
intoplicine	[no description available]	medium	1	0	pyridoindole
repaglinide	[no description available]	medium	1	0	piperidines
telmisartan	[no description available]	medium	2	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	3	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
ethinyl estradiol-17-sulfate	[no description available]	medium	1	0
ethinylestradiol-3-sulfate	[no description available]	medium	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
cefcanel	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	1	0	steroid acid
talinolol	[no description available]	medium	1	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
ljc 10627	[no description available]	medium	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
dexrazoxane	[no description available]	medium	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	1	0
squalamine	[no description available]	medium	1	0	bile acid
rivastigmine	[no description available]	medium	2	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	1	0	carbazoles
eletriptan	[no description available]	medium	1	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone	[no description available]	medium	2	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
mci 9038	[no description available]	medium	1	0	peptide
imipenem, anhydrous	[no description available]	medium	3	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
bosentan anhydrous	[no description available]	medium	2	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	1	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
2-hydroxyimipramine	[no description available]	medium	1	0	dibenzoazepine
ecteinascidin 743	[no description available]	medium	1	0	acetate 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
almotriptan	[no description available]	medium	2	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
gefitinib	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
tamsulosin	[no description available]	medium	1	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	1	0	penicillanic acids
dilevalol	[no description available]	medium	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
irofulven	[no description available]	medium	1	0	cyclohexenones
ym 872	[no description available]	medium	1	0
levofloxacin	[no description available]	medium	4	0	9-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
ertapenem	[no description available]	medium	1	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951	[no description available]	medium	2	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	2	0	methoxybenzenes
conivaptan	[no description available]	medium	1	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	1	0
sabarubicin	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	2	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
clevidipine	[no description available]	medium	2	0	dihydropyridine
solifenacin	[no description available]	medium	1	0	isoquinolines
abanoquil	[no description available]	medium	1	0
anidulafungin	[no description available]	medium	1	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
ropivacaine	[no description available]	medium	2	0	piperidinecarboxamide; ropivacaine	local anaesthetic
melagatran	[no description available]	medium	1	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
tesaglitazar	[no description available]	medium	1	0
bms204352	[no description available]	medium	1	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	1	0
nsc-89199	[no description available]	medium	2	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	4	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
bortezomib	[no description available]	medium	1	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
meropenem	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin	[no description available]	medium	4	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
pancuronium	[no description available]	medium	1	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
abacavir	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
netilmicin	[no description available]	medium	5	0
miglitol	[no description available]	medium	1	0	piperidines
linezolid	[no description available]	medium	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
darifenacin	[no description available]	medium	1	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
acarbose	[no description available]	medium	2	0	amino cyclitol; glycoside
tacrolimus	[no description available]	medium	1	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	high	3	0	benzoate 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
clindamycin	[no description available]	medium	4	0
fosfomycin	[no description available]	medium	4	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	4	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
bms 214662	[no description available]	medium	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide	[no description available]	medium	1	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
gs 4071	[no description available]	medium	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
decitabine	[no description available]	medium	1	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	1	0
teniposide	[no description available]	medium	2	0	aromatic 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
troxacitabine	[no description available]	medium	1	0	carbohydrate derivative; nucleobase-containing molecular entity
cefamandole	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
tiazofurin	[no description available]	medium	2	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	5	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
sitafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
dibekacin	[no description available]	medium	3	0	kanamycins	antibacterial agent; protein synthesis inhibitor
micafungin	[no description available]	medium	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
mezlocillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
tropisetron	[no description available]	medium	1	0	indolyl carboxylic acid
leuprolide	[no description available]	medium	3	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
fludarabine	[no description available]	medium	2	0	purine nucleoside
propylthiouracil	[no description available]	medium	4	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
etomidate	[no description available]	medium	3	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
methimazole	[no description available]	medium	3	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
drotaverin	[no description available]	medium	1	0	isoquinolines
digoxin	[no description available]	medium	7	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
cancidas	[no description available]	medium	1	0
lincomycin	[no description available]	medium	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
hmr 3647	[no description available]	medium	1	0
nelarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	1	0	aromatic ether
dolasetron	[no description available]	medium	1	0	indolyl carboxylic acid
or 1259	[no description available]	medium	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	3	0	steroid	estrogen
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	2	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
tolcapone	[no description available]	medium	3	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
clavulanic acid	[no description available]	medium	2	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	high	9	4	11beta-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
pulmicort	[no description available]	high	9	0	11beta-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
eprosartan	[no description available]	medium	2	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	1	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mivacurium	[no description available]	medium	1	0	isoquinolines
entacapone	[no description available]	medium	1	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol	[no description available]	medium	1	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclosporine	[no description available]	medium	3	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	1	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	high	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	1	0	phenylalanine derivative
vinorelbine	[no description available]	medium	3	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
romidepsin	[no description available]	medium	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
morphine-6-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
butorphanol	[no description available]	medium	2	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	2	0	phenanthrenes
cefixime	[no description available]	medium	4	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	3	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate	[no description available]	medium	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalaprilat anhydrous	[no description available]	medium	3	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime	[no description available]	medium	4	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	5	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug
hr 810	[no description available]	medium	1	0	cephalosporin; cyclopentapyridine
ceftazidime	[no description available]	medium	4	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet	[no description available]	medium	1	0	cephalosporin
cefotaxime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	3	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b	[no description available]	medium	1	0
palonosetron	[no description available]	medium	1	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cefatrizine	[no description available]	medium	3	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	2	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
ixabepilone	[no description available]	medium	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
verlukast	[no description available]	medium	1	0
ceftizoxime	[no description available]	medium	3	0	cephalosporin	antibacterial drug
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
dantrolene	[no description available]	medium	3	0
artesunate	[no description available]	medium	2	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	1	0	macrolide lactam
bms188797	[no description available]	medium	1	0
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
tomopenem	[no description available]	medium	1	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
gentamicin sulfate	[no description available]	medium	3	0
bn 52020	[no description available]	medium	1	0
vindesine	[no description available]	medium	3	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	1	0
ly-146032	[no description available]	medium	1	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin	[no description available]	medium	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
cetrorelix	[no description available]	medium	1	0	oligopeptide	antineoplastic agent; GnRH antagonist
chlortetracycline	[no description available]	medium	4	0
oxytetracycline, anhydrous	[no description available]	medium	4	0
minocycline	[no description available]	medium	3	0
roquinimex	[no description available]	medium	1	0	aromatic amide
mobic	[no description available]	medium	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
isoxicam	[no description available]	medium	2	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
demeclocycline	[no description available]	medium	3	0
rolitetracycline	[no description available]	medium	3	0
tigecycline	[no description available]	medium	1	0
acyclovir	[no description available]	medium	4	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
dacarbazine	[no description available]	medium	4	0	dacarbazine
didanosine	[no description available]	medium	1	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	3	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	2	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
vardenafil	[no description available]	medium	1	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
leucovorin	[no description available]	medium	2	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	1	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
aprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
rifabutin	[no description available]	medium	1	0
chlordecone	[no description available]	medium	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
5,6-dimethylbenzimidazole	[no description available]	medium	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
hexachlorocyclohexane	[no description available]	medium	1	0	chlorocyclohexane
parathion	[no description available]	medium	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol	[no description available]	medium	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
altretamine	[no description available]	medium	2	0	triamino-1,3,5-triazine
ametantrone	[no description available]	medium	1	0
aminoglutethimide	[no description available]	medium	4	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
2-aminothiazole	[no description available]	medium	1	0	1,3-thiazoles; primary amino compound
azathioprine	[no description available]	medium	3	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azinphosmethyl	[no description available]	medium	1	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
bromhexine	[no description available]	medium	11	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bromhexine	[no description available]	medium	11	2	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
celiprolol	[no description available]	medium	3	0	aromatic ketone
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
clioquinol	[no description available]	medium	3	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
debrisoquin	[no description available]	medium	4	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
dicamba	[no description available]	medium	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlorphenamide	[no description available]	medium	3	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	2	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diethylcarbamazine	[no description available]	medium	1	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	2	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
dipyridamole	[no description available]	medium	3	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyridamole	[no description available]	medium	3	1	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
disulfiram	[no description available]	medium	4	0	organic 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
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
flutamide	[no description available]	medium	4	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
glutethimide	[no description available]	medium	2	0	piperidines
guanethidine	[no description available]	medium	4	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
halothane	[no description available]	medium	3	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
phenelzine	[no description available]	medium	3	0	primary amine
indapamide	[no description available]	medium	3	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iproniazid	[no description available]	medium	2	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
mechlorethamine	[no description available]	medium	2	0	nitrogen mustard; organochlorine compound	alkylating agent
mephenytoin	[no description available]	medium	3	0	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	medium	2	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide	[no description available]	medium	1	0	benzothiadiazine
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
minoxidil	[no description available]	medium	5	0	dialkylarylamine; tertiary amino compound
clorgyline	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid	[no description available]	medium	2	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	high	10	1	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nitroglycerin	[no description available]	high	10	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nylidrin	[no description available]	medium	12	0	alkylbenzene
4-dichlorobenzene	[no description available]	medium	1	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	3	0	acetamides
phenazopyridine	[no description available]	medium	2	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phentermine	[no description available]	medium	4	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
pipobroman	[no description available]	medium	1	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
polythiazide	[no description available]	medium	1	0	benzothiadiazine
procaine	[no description available]	medium	4	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine	[no description available]	medium	2	0	benzamides; hydrazines	antineoplastic agent
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
semustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
streptonigrin	[no description available]	medium	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	medium	2	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine	[no description available]	medium	1	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	2	0	pyrimidines; 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
sulfamethoxypyridazine	[no description available]	medium	1	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	2	0
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	2	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2,2'-thiodiethanol	[no description available]	medium	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
tolazamide	[no description available]	medium	2	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
trichlormethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
trimethadione	[no description available]	medium	3	0	oxazolidinone	anticonvulsant; geroprotector
urethane	[no description available]	medium	2	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	1	0	piperidines
reserpine	[no description available]	medium	5	0	alkaloid 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
floxuridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
triethylenemelamine	[no description available]	medium	1	0	1,3,5-triazines	alkylating agent; insect sterilant
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
paramethasone	[no description available]	medium	2	0	fluorinated steroid
azauridine	[no description available]	medium	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
idoxuridine	[no description available]	medium	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
physostigmine	[no description available]	medium	2	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
dromostanolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
bromodeoxyuridine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
thiamine	[no description available]	medium	1	0	organic chloride salt; vitamin B1
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
cloxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
zoxazolamine	[no description available]	medium	2	0	benzoxazole
uracil mustard	[no description available]	medium	1	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	high	2	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
fluocinolone acetonide	[no description available]	medium	5	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
fluocinolone acetonide	[no description available]	medium	5	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
mannitol	[no description available]	medium	4	0	mannitol	allergen; 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]	medium	3	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfobromophthalein sodium	[no description available]	medium	2	0	organic sodium salt	dye
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
pseudoephedrine	[no description available]	high	3	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
dicloran	[no description available]	medium	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
phenylhydrazine	[no description available]	medium	1	0	phenylhydrazines	xenobiotic
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
tetraethylenepentamine	[no description available]	medium	1	0	polyazaalkane	copper chelator
chloranil	[no description available]	medium	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
amiben	[no description available]	medium	1	0	chlorobenzoic acid
monuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
iminodiacetic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
diazooxonorleucine	[no description available]	medium	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
methylpentynol carbamate	[no description available]	medium	1	0
mechlorethamine n-oxide	[no description available]	medium	1	0	nitrogen mustard
linuron	[no description available]	medium	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide	[no description available]	medium	2	0	benzenes; sulfonamide
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
emetine	[no description available]	medium	5	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
pamaquine	[no description available]	medium	1	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
medroxyprogesterone	[no description available]	medium	2	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
apronalide	[no description available]	medium	1	0	N-acylurea
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
metahexamide	[no description available]	medium	2	0	benzenes; sulfonamide
megestrol acetate	[no description available]	medium	3	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
toyocamycin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
hadacidin	[no description available]	medium	1	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
carbophenothion	[no description available]	medium	1	0	organic sulfide
porfiromycin	[no description available]	medium	1	0
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone	[no description available]	medium	1	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
pyrithioxin	[no description available]	medium	1	0	methylpyridines
nsc 65346	[no description available]	medium	1	0	nucleoside analogue	protein kinase inhibitor
guanazole	[no description available]	medium	1	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa	[no description available]	medium	1	0	phosphoramide
ioxynil	[no description available]	medium	1	0	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic
bromoxynil	[no description available]	medium	1	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
picloram	[no description available]	medium	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
ethoglucid	[no description available]	medium	1	0	epoxide
azaribine	[no description available]	medium	2	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
1,3,5-triglycidyl-s-triazinetrione	[no description available]	medium	1	0
acetophenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
improsan	[no description available]	medium	1	0	organosulfonic ester
piperacetazine	[no description available]	medium	1	0	phenothiazines
beclomethasone	[no description available]	medium	3	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
pentaquine	[no description available]	medium	1	0
isopentenyladenosine	[no description available]	medium	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
ancitabine	[no description available]	medium	2	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
phenacid	[no description available]	medium	1	0
xipamide	[no description available]	medium	2	0	benzamides
pentamethylmelamine	[no description available]	medium	1	0
calusterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
danazol	[no description available]	medium	3	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
etoprine	[no description available]	medium	1	0
razoxane	[no description available]	medium	2	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
bromocriptine	[no description available]	medium	4	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	3	0	11beta-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
azetepa	[no description available]	medium	1	0	phosphoramide
ripazepam	[no description available]	medium	2	0	benzenes
prednimustine	[no description available]	medium	1	0	corticosteroid hormone
amygdalin	[no description available]	medium	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
amineptin	[no description available]	medium	3	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
etidocaine	[no description available]	medium	2	0	amino acid amide	local anaesthetic
nimustine	[no description available]	medium	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
butibufen	[no description available]	medium	2	0	monoterpenoid
spiromustine	[no description available]	medium	1	0
diaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
cefonicid	[no description available]	medium	1	0	cephalosporin	antibacterial drug
triciribine phosphate	[no description available]	medium	1	0
bw-755c	[no description available]	medium	1	0
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
piritrexim	[no description available]	medium	2	0
caracemide	[no description available]	medium	1	0
quinapril	[no description available]	medium	3	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
cilazapril, anhydrous	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones
morzid	[no description available]	medium	1	0	morpholines
febrifugine	[no description available]	medium	1	0	quinazolines
thymine arabinoside	[no description available]	medium	1	0	N-glycosyl compound
psicofuranine	[no description available]	medium	1	0	psicose derivative; purine nucleoside
triciribine	[no description available]	medium	1	0	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine	[no description available]	medium	1	0
bendamustine	[no description available]	medium	1	0	benzimidazoles
trofosfamide	[no description available]	medium	1	0	ifosfamides
4-aminobenzoic acid-n-xyloside	[no description available]	medium	1	0
fotrin	[no description available]	medium	1	0
sufosfamide	[no description available]	medium	1	0
propatyl nitrate	[no description available]	medium	1	0	nitrate ester
sulfamidochrysoidine	[no description available]	medium	1	0
ibopamine	[no description available]	medium	2	0	benzoate ester; phenols
pumitepa	[no description available]	medium	1	0
elmustine	[no description available]	medium	1	0
forphenicinol	[no description available]	medium	1	0
dipropylacetamide	[no description available]	medium	2	0	fatty amide	geroprotector; metabolite; teratogenic agent
inproquone	[no description available]	medium	1	0
neplanocin a	[no description available]	medium	1	0
1-ethoxysilatrane	[no description available]	medium	1	0
tretazicar	[no description available]	medium	1	0
nsc-172755	[no description available]	medium	1	0
streptovitacin a	[no description available]	medium	1	0
cb 10375	[no description available]	medium	1	0
carbenicillin indanyl	[no description available]	medium	1	0	penicillin
cb 1837	[no description available]	medium	1	0
hexaphosphamide	[no description available]	medium	1	0
dipin	[no description available]	medium	1	0
phosphazine	[no description available]	medium	1	0
diiodobenzotepa	[no description available]	medium	1	0
icig 1163	[no description available]	medium	1	0
bimolane	[no description available]	medium	1	0
thiodipin	[no description available]	medium	1	0
fluoxydine	[no description available]	medium	1	0
imiphos	[no description available]	medium	1	0
aldophosphamide	[no description available]	medium	1	0	nitrogen mustard
perindopril	[no description available]	medium	2	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione	[no description available]	medium	1	0
oxymatrine	[no description available]	medium	1	0	alkaloid; tertiary amine oxide
1,1,2-trichloroethanol	[no description available]	medium	1	0
iremycin	[no description available]	medium	1	0
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine	[no description available]	medium	1	0
hainanensine	[no description available]	medium	1	0
ritrosulfan	[no description available]	medium	1	0
damvar	[no description available]	medium	1	0
benzo-tepa	[no description available]	medium	1	0
tevenel	[no description available]	medium	1	0	sulfonamide
tac 278	[no description available]	medium	1	0
aminopterin	[no description available]	medium	2	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid	[no description available]	medium	1	0
deflazacort	[no description available]	medium	3	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
estramustine	[no description available]	medium	2	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
indicine-n-oxide	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	1	0
oxytocin	[no description available]	medium	21	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
oxytocin	[no description available]	medium	21	3	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
bacampicillin	[no description available]	medium	1	0	penicillanic acid ester	prodrug
angustibalin	[no description available]	medium	1	0	sesquiterpene lactone
metrizamide	[no description available]	medium	2	0	amino sugar
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
azaserine	[no description available]	medium	2	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
dipyrone	[no description available]	medium	2	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol	[no description available]	medium	1	0	alkylbenzene
aceglatone	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	2	0
amygdalin	[no description available]	medium	2	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	2	0	alcohol; organobromine compound
octotropine methylbromide	[no description available]	medium	3	0
methylatropine nitrate	[no description available]	medium	1	0
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	2	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
6-thioguanosine	[no description available]	medium	1	0	purine nucleoside
streptozocin	[no description available]	medium	2	0
ethionamide	[no description available]	medium	3	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
thiocarlide	[no description available]	medium	1	0	thioureas
mannomustine	[no description available]	medium	1	0	amino alcohol
glucametacin	[no description available]	medium	2	0
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea	[no description available]	medium	1	0
alprostadil	[no description available]	medium	3	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
alprostadil	[no description available]	medium	3	1	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	3	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
cynarine	[no description available]	medium	2	0	alkyl caffeate ester; quinic acid	plant metabolite
7432 s	[no description available]	medium	1	0	cephalosporin; dicarboxylic acid	antibacterial drug
dihydrocodeine	[no description available]	medium	3	0	morphinane alkaloid
ly 163892	[no description available]	medium	3	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
pactamycin	[no description available]	medium	1	0
anthramycin	[no description available]	medium	1	0
lacidipine	[no description available]	medium	2	0	cinnamate ester; tert-butyl ester
cytochalasin b	[no description available]	medium	1	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
irisquinone	[no description available]	medium	1	0
mitoguazone	[no description available]	medium	1	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
ramipril	[no description available]	medium	2	0	azabicycloalkane; 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
enalapril	[no description available]	medium	2	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
ceftiofur	[no description available]	medium	1	0
sibiromycin	[no description available]	medium	1	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	3	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
butylscopolammonium bromide	[no description available]	medium	2	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
thioacetazone	[no description available]	medium	1	0
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	2	0	21-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose	[no description available]	medium	1	0
ro 6-4563	[no description available]	medium	1	0	monoterpenoid
flucloronide	[no description available]	medium	1	0	21-hydroxy steroid
hainanolide	[no description available]	medium	1	0
gliocladic acid	[no description available]	medium	1	0	p-menthane monoterpenoid
cleistanthin	[no description available]	medium	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
nimorazole	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	3	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	1	0
7-deazaguanosine	[no description available]	medium	1	0
pyrazofurin	[no description available]	medium	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate	[no description available]	medium	1	0	folic acids
5-methyltetrahydrohomofolic acid	[no description available]	medium	1	0
ninopterin	[no description available]	medium	1	0
adenine	[no description available]	medium	3	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
betaine	[no description available]	medium	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
lactic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
lactic acid	[no description available]	medium	2	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
glycine	[no description available]	medium	4	0	alpha-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
glycine	[no description available]	medium	4	2	alpha-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]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	31	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
histamine	[no description available]	medium	31	7	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
inositol	[no description available]	medium	1	0	cyclitol; hexol
niacin	[no description available]	medium	2	0	pyridine 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
succinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
albendazole	[no description available]	medium	1	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
ambroxol	[no description available]	medium	6	0	aromatic amine
antazoline	[no description available]	medium	2	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
bendroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzamide	[no description available]	medium	2	0	benzamides
benzquinamide	[no description available]	medium	1	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
bethanidine	[no description available]	medium	1	0	guanidines	adrenergic antagonist; antihypertensive agent
bisacodyl	[no description available]	medium	2	0	diarylmethane
bunitrolol	[no description available]	medium	1	0	aromatic ether
bupranolol	[no description available]	medium	4	0	aromatic ether
buspirone	[no description available]	medium	3	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
carbazochrome	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
chlorcyclizine	[no description available]	medium	3	0	diarylmethane
chloroxine	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
clofazimine	[no description available]	medium	1	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
cyclofenil	[no description available]	medium	1	0	organic molecular entity
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
profenamine	[no description available]	medium	2	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethyl loflazepate	[no description available]	medium	3	0	organic molecular entity
etizolam	[no description available]	medium	1	0	organic molecular entity
brl 42810	[no description available]	medium	3	0	2-aminopurines; acetate ester	antiviral drug; prodrug
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine depot	[no description available]	medium	1	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate	[no description available]	medium	1	0	phenothiazines
flurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flutazolam	[no description available]	medium	1	0	hemiaminal ether; organic molecular entity
gliclazide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
hexylresorcinol	[no description available]	medium	1	0	resorcinols
homochlorocyclizine	[no description available]	medium	3	0	diarylmethane
hydroxyzine	[no description available]	medium	5	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
isoxsuprine	[no description available]	medium	16	0	alkylbenzene
ketoconazole	[no description available]	medium	4	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
leflunomide	[no description available]	medium	2	0	(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
loratadine	[no description available]	medium	2	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
memantine	[no description available]	medium	3	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
vitamin k 3	[no description available]	medium	2	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
mesoridazine	[no description available]	medium	2	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methocarbamol	[no description available]	medium	2	0	aromatic ether; carbamate ester; secondary alcohol
methyprylon	[no description available]	medium	1	0	organic molecular entity
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
modafinil	[no description available]	medium	1	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
pargyline	[no description available]	medium	2	0	aromatic amine
perhexiline	[no description available]	medium	3	0	piperidines	cardiovascular drug
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
pyranoprofen	[no description available]	medium	1	0	pyridochromene
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propiomazine	[no description available]	medium	1	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
proxyphylline	[no description available]	medium	2	0	oxopurine
proxyphylline	[no description available]	medium	2	1	oxopurine
rofecoxib	[no description available]	medium	2	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylsalicylic acid	[no description available]	medium	2	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
ipodate	[no description available]	medium	1	0
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
tiaramide	[no description available]	medium	2	0	benzothiazoles
tiaramide	[no description available]	medium	2	1	benzothiazoles
ticlopidine	[no description available]	medium	3	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tilorone	[no description available]	medium	2	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
tolperisone	[no description available]	medium	1	0	aromatic ketone
trifluperidol	[no description available]	medium	3	0	aromatic ketone
trimebutine	[no description available]	medium	2	0	trihydroxybenzoic acid
troglitazone	[no description available]	medium	2	0	chromanes; 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
delavirdine	[no description available]	medium	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
lysergic acid diethylamide	[no description available]	medium	2	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
phentolamine	[no description available]	medium	5	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
oxandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
lysine	[no description available]	medium	1	0	aspartate 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
cysteamine	[no description available]	medium	2	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
bretylium tosylate	[no description available]	medium	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gallamine triethiodide	[no description available]	medium	1	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
quinethazone	[no description available]	medium	1	0	quinazolines	antihypertensive agent; diuretic
tribromoethanol	[no description available]	medium	1	0	alcohol; organobromine compound
mepenzolate bromide	[no description available]	medium	2	0	diarylmethane
carbromal	[no description available]	medium	1	0	N-acylurea
triparanol	[no description available]	medium	2	0	stilbenoid	anticoronaviral agent
pantothenic acid	[no description available]	medium	2	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
buclizine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic
thiopropazate	[no description available]	medium	1	0	acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
acetrizoic acid	[no description available]	medium	1	0	aminobenzoic acid
estradiol dipropionate	[no description available]	medium	1	0	steroid ester
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
framycetin	[no description available]	medium	3	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	2	0	xanthenes
ephedrine	[no description available]	high	14	8	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
ephedrine	[no description available]	high	14	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	1	0	corticosteroid hormone
norchlorcyclizine	[no description available]	medium	2	0
evans blue	[no description available]	medium	3	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
opipramol	[no description available]	medium	1	0	dibenzoazepine
glymidine	[no description available]	medium	1	0	diether; pyrimidines; sulfonamide	hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	2	0	aromatic amine
prenylamine	[no description available]	medium	2	0	diarylmethane
nandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
thiazolidine-4-carboxylic acid	[no description available]	medium	1	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
chlorphentermine	[no description available]	medium	2	0	amphetamines
lucanthone	[no description available]	medium	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
dichloralantipyrine	[no description available]	medium	1	0
dihydralazine	[no description available]	medium	3	0	phthalazines
methallenestril	[no description available]	medium	1	0	naphthalenes
levocarnitine	[no description available]	medium	1	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
decamethonium dibromide	[no description available]	medium	1	0
thiphenamil	[no description available]	medium	1	0	diarylmethane
phenindamine	[no description available]	medium	1	0	indene
2-amino-2-methyl-1-propanol	[no description available]	medium	1	0
phendimetrazine	[no description available]	medium	1	0
trimetozine	[no description available]	medium	2	0	morpholines
butaperazine	[no description available]	medium	1	0	phenothiazines
oxolamine	[no description available]	medium	1	0	oxadiazole; ring assembly
ethylestrenol	[no description available]	medium	1	0	17beta-hydroxy steroid; tertiary alcohol	anabolic agent
dehydroepiandrosterone acetate	[no description available]	medium	1	0	steroid ester
metaxalone	[no description available]	medium	1	0	aromatic ether
paraquat	[no description available]	medium	2	0	organic cation	geroprotector; herbicide
clothiapine	[no description available]	medium	2	0	dibenzothiazepine
sulfadoxine	[no description available]	medium	3	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
cephaloglycin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
noxiptilin	[no description available]	medium	2	0	organic tricyclic compound
benorilate	[no description available]	medium	1	0	carbonyl compound
metocurine	[no description available]	medium	1	0	isoquinolines
clomacran	[no description available]	medium	2	0	acridines
iprindole	[no description available]	medium	2	0	indoles
isometheptene	[no description available]	medium	1	0	secondary amino compound
molindone	[no description available]	medium	1	0	indoles
hexocyclium	[no description available]	medium	1	0	amine
clortermine	[no description available]	medium	1	0	amphetamines
nicofuranose	[no description available]	medium	1	0	organooxygen compound
cloforex	[no description available]	medium	2	0	amphetamines
levamisole	[no description available]	medium	3	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
proquazone	[no description available]	medium	1	0	pyrimidines
halazepam	[no description available]	medium	2	0	organic molecular entity
feprazone	[no description available]	medium	1	0	organic molecular entity
halofantrine	[no description available]	medium	2	0	phenanthrenes
pergolide	[no description available]	medium	1	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
doxofylline	[no description available]	medium	1	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
adenosine	[no description available]	medium	4	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
ceftezole	[no description available]	medium	1	0	cephalosporin; thiadiazoles
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	2	0	stilbenoid
disobutamide	[no description available]	medium	2	0	acetamides
sertraline	[no description available]	medium	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
clociguanil	[no description available]	medium	3	0
lividomycin	[no description available]	medium	1	0	lividomycins	metabolite
gentamicin c1	[no description available]	medium	2	0
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	2	0
moexipril	[no description available]	medium	2	0	peptide
sennoside B	[no description available]	medium	1	0	oxo dicarboxylic acid; sennosides
dimethacrine	[no description available]	medium	1	0	acridines
5-hydroxydopamine	[no description available]	medium	2	0	catecholamine
tazobactam	[no description available]	medium	1	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
xylose	[no description available]	medium	1	0	D-xylose
clofibride	[no description available]	medium	1	0	monocarboxylic acid
l 694,458	[no description available]	medium	2	0
dromostanolone propionate	[no description available]	medium	1	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
bekanamycin	[no description available]	medium	1	0	kanamycins
strychnine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
hetacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
medigoxin	[no description available]	medium	1	0	cardenolide glycoside
betamethasone acetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone
riboflavin	[no description available]	medium	1	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
flavin mononucleotide	[no description available]	medium	1	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
prednisolone hemisuccinate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug
nsc 4347	[no description available]	medium	1	0
lobeline	[no description available]	medium	1	0
benztropine	[no description available]	medium	2	0	diarylmethane
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
tamoxifen	[no description available]	medium	3	0	stilbenoid; 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
zeranol	[no description available]	medium	1	0	macrolide
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
dinoprost	[no description available]	medium	9	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
dinoprost	[no description available]	medium	9	3	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	1	0	D3 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]	medium	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
ethchlorvynol	[no description available]	medium	1	0
rokitamycin	[no description available]	medium	1	0	organic molecular entity
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
misoprostol	[no description available]	medium	1	0
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
triprolidine	[no description available]	medium	3	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
natamycin	[no description available]	medium	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
cloprednol	[no description available]	medium	1	0	21-hydroxy steroid
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
hydroxystilbamidine	[no description available]	medium	1	0
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
proscillaridin	[no description available]	medium	1	0	organic molecular entity
stilbamidine	[no description available]	medium	3	0
zimeldine	[no description available]	medium	3	0	styrenes
trandolapril	[no description available]	medium	2	0	dicarboxylic 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
fosinopril	[no description available]	medium	1	0
abt-770	[no description available]	medium	2	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	2	0
azacosterol	[no description available]	medium	2	0
homatropine methylbromide	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	3	0
bephenium hydroxynaphthoate	[no description available]	medium	1	0
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
folic acid	[no description available]	medium	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
fosmidomycin	[no description available]	medium	2	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
gallopamil	[no description available]	medium	3	0	benzenes; organic amino compound
azosemide	[no description available]	medium	1	0	monochlorobenzenes; sulfonamide; tetrazoles; thiophenes	loop diuretic
eflornithine	[no description available]	medium	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
felbamate	[no description available]	medium	4	0	carbamate ester	anticonvulsant; neuroprotective agent
norfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
oxatomide	[no description available]	medium	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
pirbuterol	[no description available]	medium	3	0	pyridines
praziquantel	[no description available]	medium	2	0	isoquinolines
propiverine	[no description available]	medium	1	0	diarylmethane
saccharin	[no description available]	medium	2	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
sultopride	[no description available]	medium	2	0	salicylamides
trapidil	[no description available]	medium	3	0	triazolopyrimidines
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
chloroform	[no description available]	medium	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
cycloserine	[no description available]	medium	3	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
lactulose	[no description available]	medium	2	0	glycosylfructose	gastrointestinal drug; laxative
guanoxan	[no description available]	medium	2	0	benzodioxine
reproterol	[no description available]	medium	10	0	oxopurine
reproterol	[no description available]	medium	10	2	oxopurine
cromolyn sodium	[no description available]	medium	48	0	organic sodium salt	anti-asthmatic drug; drug allergen
cromolyn sodium	[no description available]	medium	48	20	organic sodium salt	anti-asthmatic drug; drug allergen
carfecillin	[no description available]	medium	1	0	penicillin
piroximone	[no description available]	medium	2	0
5-propynylarabinofuranosyluracil	[no description available]	medium	1	0
tenidap	[no description available]	medium	2	0
mifobate	[no description available]	medium	1	0	trialkyl phosphate
pafenolol	[no description available]	medium	2	0
tolmesoxide	[no description available]	medium	1	0
phenglutarimide	[no description available]	medium	1	0	piperidines
ouabain	[no description available]	medium	3	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
sulindac	[no description available]	medium	4	0	monocarboxylic 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
sorivudine	[no description available]	medium	1	0	organic molecular entity
acrivastine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
topiramate	[no description available]	medium	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
oxyfedrine	[no description available]	medium	2	0	aromatic ketone
guanabenz	[no description available]	medium	3	0	dichlorobenzene
cci 15641	[no description available]	medium	1	0	cephalosporin
atropine sulfate	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	2	0	organic sodium salt	geroprotector
mesna	[no description available]	medium	1	0	organosulfonic acid
sodium iothalamate	[no description available]	medium	1	0
piroxicam	[no description available]	medium	3	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
sudoxicam	[no description available]	medium	1	0
lornoxicam	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
aminooxyacetic acid	[no description available]	medium	1	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
alendronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
aprindine	[no description available]	medium	1	0	indanes
bretylium	[no description available]	medium	2	0	quaternary ammonium ion	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
3,4-dihydroxybenzohydroxamic acid	[no description available]	medium	1	0	benzoic acids
incadronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
nsc 664704	[no description available]	medium	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
mazindol	[no description available]	medium	1	0	organic molecular entity
mefloquine hydrochloride	[no description available]	medium	1	0	organofluorine compound; piperidines; quinolines; secondary alcohol
methoxyamine	[no description available]	medium	1	0	organooxygen compound
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
cetrimonium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
phenformin	[no description available]	medium	3	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
sterogenol	[no description available]	medium	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
cycloguanil	[no description available]	medium	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
benzohydroxamic acid	[no description available]	medium	1	0
pyrodifenium bromide	[no description available]	medium	1	0	organic molecular entity
amopyroquine	[no description available]	medium	1	0
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine	[no description available]	medium	2	0	chlorphenamine
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
salmeterol xinafoate	[no description available]	medium	22	0	naphthoic acid
salmeterol xinafoate	[no description available]	medium	22	4	naphthoic acid
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
propamidine	[no description available]	medium	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
sinefungin	[no description available]	medium	1	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
droxicam	[no description available]	medium	1	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
etofibrate	[no description available]	medium	1	0	monocarboxylic acid
synthalin a	[no description available]	medium	2	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
pirlindole	[no description available]	medium	1	0	carbazoles
artemether	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
rexigen	[no description available]	medium	1	0
aceclofenac	[no description available]	medium	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tebuquine	[no description available]	medium	1	0
cryptolepine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate	[no description available]	medium	1	0
desethylchloroquine	[no description available]	medium	1	0	aminoquinoline
wr 159412	[no description available]	medium	1	0
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
benzyloxyamine	[no description available]	medium	1	0
pyronaridine	[no description available]	medium	1	0	aminoquinoline
tafenoquine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
desethylamodiaquine	[no description available]	medium	1	0
n,n-dideethylchloroquine	[no description available]	medium	1	0
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine	[no description available]	medium	1	0
ne 58051	[no description available]	medium	1	0
wr 242511	[no description available]	medium	1	0
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
olpadronic acid	[no description available]	medium	1	0
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
neocryptolepine	[no description available]	medium	1	0
1-hydroxypentane-1,1-bisphosphonate	[no description available]	medium	1	0
cimadronate	[no description available]	medium	1	0
1,1-hydroxyoctanodiphosphonate	[no description available]	medium	1	0
canaline	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
purvalanol a	[no description available]	medium	1	0	purvalanol
Tetrahydropiperine	[no description available]	medium	1	0	benzodioxoles
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
ilepcimide	[no description available]	medium	1	0	benzodioxoles
ipratropium bromide anhydrous	[no description available]	medium	1	0
flunarizine	[no description available]	medium	2	0	diarylmethane
artemotil	[no description available]	medium	1	0	artemisinin derivative
alsterpaullone	[no description available]	medium	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine	[no description available]	medium	1	0	harmala alkaloid
licochalcone a	[no description available]	medium	1	0	chalcones
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
nifuroxime	[no description available]	medium	1	0
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
chlorproguanil	[no description available]	medium	1	0	dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide	[no description available]	medium	1	0
artenimol	[no description available]	medium	1	0
4-phenoxyphenoxyethyl thiocyanate	[no description available]	medium	1	0
deoxoartemisinin	[no description available]	medium	1	0
butyrolactone i	[no description available]	medium	1	0	butenolide
thiolactomycin	[no description available]	medium	1	0
3,4,5-trihydroxybenzamidoxime	[no description available]	medium	1	0	benzenetriol
bupropion	[no description available]	medium	3	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
bicalutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
donepezil	[no description available]	medium	2	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
meclizine	[no description available]	medium	1	0	diarylmethane
oxidopamine	[no description available]	medium	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
carbon tetrachloride	[no description available]	medium	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
hydrazine	[no description available]	medium	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
1-naphthylisothiocyanate	[no description available]	medium	1	0	isothiocyanate	insecticide
ethionine	[no description available]	medium	1	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
nonachlazine	[no description available]	medium	1	0
zileuton	[no description available]	medium	2	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
thioacetamide	[no description available]	medium	1	0	thiocarboxamide	hepatotoxic agent
hypoglycin a	[no description available]	medium	1	0	L-alpha-amino acid
benserazide	[no description available]	medium	2	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzbromarone	[no description available]	medium	2	0	1-benzofurans; aromatic ketone	uricosuric drug
cromolyn	[no description available]	medium	2	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
iotroxic acid	[no description available]	medium	1	0	organic molecular entity
isocarboxazid	[no description available]	medium	1	0	benzenes
phthalylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; dicarboxylic acid monoamide; sulfonamide antibiotic; sulfonamide
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
succinylsulfathiazole	[no description available]	medium	2	0	1,3-thiazoles
aminopyrine	[no description available]	medium	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
edetic acid	[no description available]	medium	2	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
almitrine	[no description available]	medium	1	0	piperazines; triamino-1,3,5-triazine	central nervous system stimulant
nedocromil	[no description available]	medium	2	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
tolrestat	[no description available]	medium	2	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
arbekacin	[no description available]	medium	1	0	aminoglycoside; kanamycins	antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
raffinose	[no description available]	medium	1	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
brivudine	[no description available]	medium	1	0
benazepril	[no description available]	medium	1	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
lucifer yellow	[no description available]	medium	1	0	organic lithium salt	fluorochrome
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
acetarsol	[no description available]	medium	1	0	acetamides; anilide
ethacridine	[no description available]	medium	1	0	acridines
4-(acetylamino)benzeneacetic acid	[no description available]	medium	1	0	acetamides; anilide
adiphenine	[no description available]	medium	1	0	diarylmethane
aklomide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
p-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine	Daphnia magna metabolite
amodiaquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
amprolium	[no description available]	medium	1	0	pyridinium ion	coccidiostat
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	[no description available]	medium	1	0	aporphine alkaloid
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
astemizole	[no description available]	medium	2	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bethanechol	[no description available]	medium	1	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
seratrodast	[no description available]	medium	1	0	organic molecular entity
butacaine	[no description available]	medium	1	0	benzoate ester
butamben	[no description available]	medium	1	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
carbamylcholine	[no description available]	medium	1	0
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
aricine	[no description available]	medium	1	0	cinchona alkaloid
clomiphene	[no description available]	medium	1	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotrimazole	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cloxyquin	[no description available]	medium	1	0	organochlorine compound; quinolines
cyclobenzaprine	[no description available]	medium	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
dibenzothiophene	[no description available]	medium	1	0	dibenzothiophenes; mancude organic heterotricyclic parent	keratolytic drug
dibucaine	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dilacor xr	[no description available]	medium	1	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
dimethadione	[no description available]	medium	1	0	oxazolidinone
diphenylpyraline	[no description available]	medium	1	0	piperidines; tertiary amine	cholinergic antagonist; H1-receptor antagonist
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
ethotoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
etidronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fenoldopam	[no description available]	medium	1	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
guaifenesin	[no description available]	medium	9	0	methoxybenzenes
guaifenesin	[no description available]	medium	9	3	methoxybenzenes
hexoprenaline	[no description available]	medium	31	0
hexoprenaline	[no description available]	medium	31	7
hexamethylene bisacetamide	[no description available]	medium	1	0	acetamides
hycanthone	[no description available]	medium	1	0	thioxanthenes	mutagen; schistosomicide drug
iodoquinol	[no description available]	medium	1	0	monohydroxyquinoline; organoiodine compound	antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug
isoetharine	[no description available]	medium	7	0	catecholamine
isoetharine	[no description available]	medium	7	2	catecholamine
ly 171883	[no description available]	medium	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
meclofenamic acid	[no description available]	medium	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mephenesin	[no description available]	medium	2	0	aromatic ether; glycerol ether
benzoic acid [2-methyl-2-(propylamino)propyl] ester	[no description available]	medium	1	0	benzoate ester
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
mitotane	[no description available]	medium	1	0	diarylmethane
nadolol	[no description available]	medium	1	0	tetralins
nafronyl	[no description available]	medium	1	0	naphthalenes
naftopidil	[no description available]	medium	1	0	piperazines
naphazoline	[no description available]	medium	2	0	naphthalenes
neostigmine	[no description available]	medium	2	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nitromide	[no description available]	medium	1	0
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxibendazole	[no description available]	medium	2	0	benzimidazoles; carbamate ester
benoxinate	[no description available]	medium	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate	[no description available]	medium	1	0	pyrroloindole
pioglitazone	[no description available]	medium	1	0	aromatic 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
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
duodote	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
proadifen	[no description available]	medium	1	0	diarylmethane
roxarsone	[no description available]	medium	1	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
spiperone	[no description available]	medium	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfamethizole	[no description available]	medium	1	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
telenzepine	[no description available]	medium	1	0	benzodiazepine
tetrahydroxy-1,4-quinone	[no description available]	medium	1	0	hydroxybenzoquinone	keratolytic drug
2-thiosalicylic acid	[no description available]	medium	1	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
tolazoline	[no description available]	medium	2	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
trimeprazine	[no description available]	medium	1	0	phenothiazines
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
tropicamide	[no description available]	medium	1	0	acetamides
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
xylometazoline	[no description available]	medium	1	0	alkylbenzene
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
metaraminol	[no description available]	medium	1	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
ethopabate	[no description available]	medium	1	0	amidobenzoic acid
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
methoxamine	[no description available]	medium	2	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
sulfachlorpyridazine	[no description available]	medium	1	0	organochlorine compound; pyridazines; sulfonamide	antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
phensuximide	[no description available]	medium	1	0	pyrrolidines
dimethisoquin	[no description available]	medium	1	0	isoquinolines
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
benzonatate	[no description available]	medium	1	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
cinchophen	[no description available]	medium	1	0	quinolines
chloroprocaine	[no description available]	medium	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
yohimbine	[no description available]	medium	7	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
fluorometholone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
dimenhydrinate	[no description available]	medium	1	0	diarylmethane
4-(benzoylamino)-2-hydroxybenzoic acid	[no description available]	medium	1	0	benzamides
docosanol	[no description available]	medium	1	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
tetramethylpyrazine	[no description available]	medium	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
flurandrenolone	[no description available]	medium	1	0	21-hydroxy steroid
flumethasone	[no description available]	medium	1	0	11beta-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-inflammatory drug
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
(1S,2R)-tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
parbendazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
fenclozic acid	[no description available]	medium	1	0
capobenic acid	[no description available]	medium	1	0	benzamides
diftalone	[no description available]	medium	1	0
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
rose bengal b disodium salt	[no description available]	medium	1	0
carbidopa	[no description available]	medium	1	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
indalpine	[no description available]	medium	1	0	indoles
lidamidine	[no description available]	medium	1	0	ureas
talniflumate	[no description available]	medium	1	0	benzofurans
dazoxiben	[no description available]	medium	1	0
alpidem	[no description available]	medium	1	0	imidazoles
dopexamine	[no description available]	medium	2	0	catecholamine
dopexamine	[no description available]	medium	2	1	catecholamine
lonapalene	[no description available]	medium	1	0	naphthalenes; organochlorine compound
ipsapirone	[no description available]	medium	1	0	N-arylpiperazine
remacemide	[no description available]	medium	1	0	stilbenoid
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
fenclofenac	[no description available]	medium	1	0	aromatic ether
proxicromil	[no description available]	medium	1	0
torbafylline	[no description available]	medium	1	0
enrofloxacin	[no description available]	medium	1	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
mepindolol	[no description available]	medium	1	0	indoles
fpl 52791	[no description available]	medium	1	0
levcromakalim	[no description available]	medium	1	0	1-benzopyran
hexylcaine hydrochloride	[no description available]	medium	1	0
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
fpl 55712	[no description available]	medium	2	0	aromatic ketone
sivelestat	[no description available]	medium	1	0	N-acylglycine; pivalate ester
fpl-52694	[no description available]	medium	1	0
ramatroban	[no description available]	medium	1	0	organic molecular entity
xaliproden	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
n-isobutyrylcysteine	[no description available]	medium	1	0
dexpanthenol	[no description available]	medium	1	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
quilostigmine	[no description available]	medium	1	0	pyrroloindole
imiloxan	[no description available]	medium	1	0	benzodioxine
aspartame	[no description available]	medium	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
tempol	[no description available]	medium	1	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
vatalanib	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
hyoscyamine	[no description available]	medium	1	0	tropane alkaloid
lactitol	[no description available]	medium	1	0	glycosyl alditol	cathartic; excipient; laxative
fpl 52757	[no description available]	medium	1	0
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
fpl 59257	[no description available]	medium	1	0
erlotinib	[no description available]	medium	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
zeneca zd 6169	[no description available]	medium	1	0
sibenadet	[no description available]	medium	1	0
latrepirdine	[no description available]	medium	1	0	methylpyridines; pyridoindole	geroprotector
ramelteon	[no description available]	medium	1	0	indanes
lapatinib	[no description available]	medium	2	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
cortisone	[no description available]	medium	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
salicin	[no description available]	medium	1	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
(S)-bicalutamide	[no description available]	medium	1	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
halcinonide	[no description available]	medium	1	0	organic molecular entity	SMO receptor agonist
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
methylthiouracil	[no description available]	medium	1	0	pyrimidone
crotamiton	[no description available]	medium	1	0
capsaicin	[no description available]	medium	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
scopolamine	[no description available]	medium	1	0	3-hydroxy carboxylic acid
ranitidine	[no description available]	medium	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
almokalant	[no description available]	medium	1	0
vx-745	[no description available]	medium	2	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
deracoxib	[no description available]	medium	1	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dasatinib	[no description available]	medium	2	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
2-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine
rs-130830	[no description available]	medium	1	0
dinoprostone	[no description available]	medium	14	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprostone	[no description available]	medium	14	2	prostaglandins E	human metabolite; mouse metabolite; oxytocic
vitamin k semiquinone radical	[no description available]	medium	1	0
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
homatropine	[no description available]	medium	1	0	tropane alkaloid
sirolimus	[no description available]	medium	1	0	antibiotic 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
ar c67085mx	[no description available]	medium	1	0
desoximetasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
sb 223412	[no description available]	medium	2	0
su 11248	[no description available]	medium	2	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
tiotropium	[no description available]	medium	2	0
nw 1029	[no description available]	medium	1	0
ici d1542	[no description available]	medium	1	0
gavestinel	[no description available]	medium	1	0
tipredane	[no description available]	medium	1	0	3-hydroxy steroid	androgen
bentiromide	[no description available]	medium	1	0	dipeptide	diagnostic agent; indicator; reagent
gemifloxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
utibapril	[no description available]	medium	1	0
zd 9379	[no description available]	medium	1	0
ly 450139	[no description available]	medium	1	0	peptide
cangrelor	[no description available]	medium	1	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
sch 527123	[no description available]	medium	1	0
linaprazan	[no description available]	medium	1	0
lecozotan	[no description available]	medium	1	0
ar c155858	[no description available]	medium	1	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one	[no description available]	medium	1	0	methoxybenzenes; substituted aniline
azd 7545	[no description available]	medium	1	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cytomel	[no description available]	medium	1	0	organic sodium salt
a 967079	[no description available]	medium	1	0
pht 427	[no description available]	medium	1	0
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
carbadox	[no description available]	medium	1	0	quinoxaline derivative
fenobam	[no description available]	medium	1	0	ureas
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
nisoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
procaterol	[no description available]	medium	16	0	quinolines
procaterol	[no description available]	medium	16	2	quinolines
ritodrine	[no description available]	medium	1	0	4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
oxyphenonium	[no description available]	medium	1	0	acylcholine
glycopyrrolate	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt
ipratropium	[no description available]	medium	1	0
1-(4-pyridyl)piperazine	[no description available]	medium	1	0
b 844-39	[no description available]	medium	1	0	diarylmethane
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
jtv519	[no description available]	medium	1	0
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox	[no description available]	medium	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
bisindolylmaleimide i	[no description available]	medium	2	0
bufexamac	[no description available]	medium	1	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine	[no description available]	medium	1	0	organic molecular entity
ci 994	[no description available]	medium	1	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine	[no description available]	medium	1	0
fenbendazole	[no description available]	medium	1	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
go 6976	[no description available]	medium	1	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
ifenprodil	[no description available]	medium	1	0	piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone	[no description available]	medium	1	0	naphthalenes
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine	[no description available]	medium	1	0
ag 1879	[no description available]	medium	2	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	[no description available]	medium	1	0	indoles
ro 31-8220	[no description available]	medium	1	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole	[no description available]	medium	1	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine	[no description available]	medium	1	0	stilbenoid
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine	[no description available]	medium	1	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
benziodarone	[no description available]	medium	1	0	aromatic ketone
trehalose	[no description available]	medium	1	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban	[no description available]	medium	1	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
4-tert-octylphenol	[no description available]	medium	1	0	alkylbenzene
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
methysergide	[no description available]	medium	1	0	ergoline alkaloid
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
etonitazene	[no description available]	medium	1	0
7-hydroxychlorpromazine	[no description available]	medium	1	0	phenothiazines
camptothecin	[no description available]	medium	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
thenalidine	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
dv 1006	[no description available]	medium	1	0
climbazole	[no description available]	medium	1	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
triadimenol	[no description available]	medium	1	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
amonafide	[no description available]	medium	1	0	isoquinolines
chaetochromin	[no description available]	medium	1	0
indocate	[no description available]	medium	1	0
N(4)-acetylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
cyclizine hydrochloride	[no description available]	medium	1	0
2,3-trimethylene-4-quinazolone	[no description available]	medium	1	0	quinazolines
1,3-dimethyluric acid	[no description available]	medium	1	0	oxopurine	metabolite
danofloxacin	[no description available]	medium	1	0	quinolines
nitrefazole	[no description available]	medium	1	0	imidazoles
honokiol	[no description available]	medium	1	0	biphenyls
9-methoxyellipticine	[no description available]	medium	1	0
3-aminophenoxazone	[no description available]	medium	1	0	phenoxazine
3-deazaneplanocin	[no description available]	medium	1	0
tryptanthrine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
2-chlorodiazepam	[no description available]	medium	1	0
Polycartine B	[no description available]	medium	1	0	phenazines
aminoquinuride dihydrochloride	[no description available]	medium	1	0
thioproperazine mesylate	[no description available]	medium	1	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine	[no description available]	medium	1	0	6-isopentenylaminopurine	cytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide	[no description available]	medium	1	0	sulfonamide
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	[no description available]	medium	1	0	aromatic ketone
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tesmilifene	[no description available]	medium	1	0	diarylmethane
sr 27897	[no description available]	medium	1	0	indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
norketamine	[no description available]	medium	1	0	organochlorine compound
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	0	phenylindole
l 741626	[no description available]	medium	1	0	piperidines
tipifarnib	[no description available]	medium	1	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
avasimibe	[no description available]	medium	1	0	monoterpenoid
l 163191	[no description available]	medium	1	0
dizocilpine	[no description available]	medium	1	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
s-benzylcysteine	[no description available]	medium	1	0	S-aryl-L-cysteine zwitterion
chelidonine	[no description available]	medium	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
roxindole	[no description available]	medium	1	0	indoles	alpha-adrenergic antagonist; serotonergic drug
conidendrin	[no description available]	medium	1	0
Porfiromycine	[no description available]	medium	1	0	mitomycin
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
4-methyl-2-quinazolinamine	[no description available]	medium	1	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	[no description available]	medium	1	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan	[no description available]	medium	1	0	thiophenes
ritonavir	[no description available]	medium	1	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
Destruxin B	[no description available]	medium	1	0	cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
2'-c-methylcytidine	[no description available]	medium	1	0
jp-1302	[no description available]	medium	1	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one	[no description available]	medium	1	0	benzodiazepine
tenatoprazole	[no description available]	medium	1	0	imidazopyridine
s 1033	[no description available]	medium	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol	[no description available]	medium	1	0	hydroxyquinoline
benidipine hydrochloride	[no description available]	medium	1	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	[no description available]	medium	1	0	quinazolines
jrf 12	[no description available]	medium	1	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	[no description available]	medium	1	0	methoxybenzenes; substituted aniline
3-hydroxypyridine, sodium salt	[no description available]	medium	1	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide	[no description available]	medium	1	0	naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol	[no description available]	medium	1	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide	[no description available]	medium	1	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	[no description available]	medium	1	0	aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide	[no description available]	medium	1	0	piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol	[no description available]	medium	1	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	medium	1	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide	[no description available]	medium	1	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone	[no description available]	medium	1	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide	[no description available]	medium	1	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	[no description available]	medium	1	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione	[no description available]	medium	1	0	maleimides
Src Inhibitor-1	[no description available]	medium	1	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one	[no description available]	medium	1	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide	[no description available]	medium	1	0	quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	[no description available]	medium	1	0	pyrroles
bi-78d3	[no description available]	medium	1	0	aryl sulfide
kartogenin	[no description available]	medium	1	0
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
nih-12848	[no description available]	medium	1	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	[no description available]	medium	1	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone	[no description available]	medium	1	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile	[no description available]	medium	1	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	[no description available]	medium	1	0	aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	medium	1	0	oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester	[no description available]	medium	1	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide	[no description available]	medium	1	0	quinolines
LSM-1924	[no description available]	medium	1	0	organic heterotricyclic compound; organooxygen compound
ferrostatin-1	[no description available]	medium	1	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	[no description available]	medium	1	0	C-nitro compound
ncgc00099374	[no description available]	medium	1	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	[no description available]	medium	1	0	benzamides
luteolin	[no description available]	medium	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
kaempferol	[no description available]	medium	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin	[no description available]	medium	1	0	triterpenoid
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
neticonazole	[no description available]	medium	1	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
alpha-zearalenol	[no description available]	medium	1	0	macrolide
su 9516	[no description available]	medium	1	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine	[no description available]	medium	1	0	triazolopyrimidines
sb 277011	[no description available]	medium	1	0
sr 59230a	[no description available]	medium	1	0	tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide	[no description available]	medium	1	0	pyrimidines
kn 62	[no description available]	medium	1	0	piperazines
MeJA	[no description available]	medium	1	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-	[no description available]	medium	1	0
pd 161570	[no description available]	medium	1	0
palbociclib	[no description available]	medium	1	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621	[no description available]	medium	1	0	sulfonamide
virginiamycin factor s1	[no description available]	medium	1	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
xib 4035	[no description available]	medium	1	0
belotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline
norgestimate	[no description available]	medium	1	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine	[no description available]	medium	1	0
methiazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester
sb 218795	[no description available]	medium	1	0	quinolines
bvt.948	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
parthenolide	[no description available]	medium	1	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633	[no description available]	medium	1	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
gw 501516	[no description available]	medium	1	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
dolastatin 10	[no description available]	medium	1	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
spc-839	[no description available]	medium	1	0
midostaurin	[no description available]	medium	1	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
nu 7026	[no description available]	medium	1	0	organic heterotricyclic compound; organooxygen compound
osi 930	[no description available]	medium	1	0	aromatic amide
ticagrelor	[no description available]	medium	1	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
l 692585	[no description available]	medium	1	0	peptide
pi103	[no description available]	medium	1	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
nnc 26-9100	[no description available]	medium	1	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine	[no description available]	medium	1	0
tivozanib	[no description available]	medium	1	0	aromatic ether
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide	[no description available]	medium	1	0
tae226	[no description available]	medium	1	0	morpholines
gw0742	[no description available]	medium	1	0	monocarboxylic acid
u 18666a	[no description available]	medium	1	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
sb 525334	[no description available]	medium	1	0	quinoxaline derivative
bx795	[no description available]	medium	1	0	ureas
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea	[no description available]	medium	1	0
bay 61-3606	[no description available]	medium	1	0	pyrimidines
sd-208	[no description available]	medium	1	0
crenolanib	[no description available]	medium	1	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466	[no description available]	medium	1	0
cc 401	[no description available]	medium	1	0	pyrazoles; ring assembly
PB28	[no description available]	medium	1	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane	[no description available]	medium	1	0
cariprazine	[no description available]	medium	1	0
krp-203	[no description available]	medium	1	0
regorafenib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867	[no description available]	medium	1	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester	[no description available]	medium	1	0	pyrroloquinoline
ptc 124	[no description available]	medium	1	0	oxadiazole; ring assembly
bi 2536	[no description available]	medium	1	0
azd 1152	[no description available]	medium	1	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
carfilzomib	[no description available]	medium	1	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
idelalisib	[no description available]	medium	1	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib	[no description available]	medium	1	0	pyridinecarboxamide
pf-562,271	[no description available]	medium	1	0	indoles
gliocladin c	[no description available]	medium	1	0
sb 706504	[no description available]	medium	1	0
ku-0060648	[no description available]	medium	1	0	dibenzothiophenes
bgt226	[no description available]	medium	1	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethyldanofloxacin	[no description available]	medium	1	0
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
CDN1163	[no description available]	medium	1	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
gsk 269962a	[no description available]	medium	1	0
pha 848125	[no description available]	medium	1	0
nvp-bhg712	[no description available]	medium	1	0	benzamides
pf 04217903	[no description available]	medium	1	0	quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one	[no description available]	medium	1	0	aromatic ketone
ph 797804	[no description available]	medium	1	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
srt1720	[no description available]	medium	1	0
purfalcamine	[no description available]	medium	1	0
bms 754807	[no description available]	medium	1	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
quizartinib	[no description available]	medium	1	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121	[no description available]	medium	1	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
navitoclax	[no description available]	medium	1	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
gsk 650394	[no description available]	medium	1	0	phenylpyridine
dcc-2036	[no description available]	medium	1	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib	[no description available]	medium	1	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
TAK-580	[no description available]	medium	1	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one	[no description available]	medium	1	0	chromones
pf 3758309	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	1	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	1	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	1	0	aryl sulfide; thienopyrimidine
baricitinib	[no description available]	medium	1	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	[no description available]	medium	1	0	quinazolines
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide	[no description available]	medium	1	0	hydroxyquinoline
p505-15	[no description available]	medium	1	0
mrt67307	[no description available]	medium	1	0	aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide	[no description available]	medium	1	0	piperazines
ribociclib	[no description available]	medium	1	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	[no description available]	medium	1	0	aromatic ketone; thienopyrimidine
pha 793887	[no description available]	medium	1	0	piperidinecarboxamide
ml228 probe	[no description available]	medium	1	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
pf-03882845	[no description available]	medium	1	0
jq1 compound	[no description available]	medium	1	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
pf-04620110	[no description available]	medium	1	0
gsk525762a	[no description available]	medium	1	0	benzodiazepine
torin 1	[no description available]	medium	1	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199	[no description available]	medium	1	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea	[no description available]	medium	1	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes
ncgc00242364	[no description available]	medium	1	0	quinazolines
gsk1210151a	[no description available]	medium	1	0	imidazoquinoline
hs-173	[no description available]	medium	1	0
sr1664	[no description available]	medium	1	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide	[no description available]	medium	1	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	[no description available]	medium	1	0	benzamides; N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	[no description available]	medium	1	0	aminoquinoline
cudc-907	[no description available]	medium	1	0
methacycline monohydrochloride	[no description available]	medium	1	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid	[no description available]	medium	1	0	quinolines
agi-5198	[no description available]	medium	1	0
cep-32496	[no description available]	medium	1	0
epz004777	[no description available]	medium	1	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid	[no description available]	medium	1	0	organonitrogen heterocyclic compound
entecavir	[no description available]	medium	1	0	benzamides; N-acylpiperidine
gkt137831	[no description available]	medium	1	0
vx-509	[no description available]	medium	1	0
vx-970	[no description available]	medium	1	0	sulfonamide
gs-9973	[no description available]	medium	1	0
amg 925	[no description available]	medium	1	0
gne-618	[no description available]	medium	1	0
g007-lk	[no description available]	medium	1	0
volitinib	[no description available]	medium	1	0
ML355	[no description available]	medium	1	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196	[no description available]	medium	1	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343	[no description available]	medium	1	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780	[no description available]	medium	1	0
khs101	[no description available]	medium	1	0
cb-839	[no description available]	medium	1	0
gsk-j4	[no description available]	medium	1	0	organonitrogen heterocyclic compound
pf-06424439	[no description available]	medium	1	0
etp-46464	[no description available]	medium	1	0
onc201	[no description available]	medium	1	0
kai407	[no description available]	medium	1	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine	[no description available]	medium	1	0
enasidenib	[no description available]	medium	1	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429	[no description available]	medium	1	0
lly-507	[no description available]	medium	1	0
at 9283	[no description available]	medium	1	0
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
1-hydroxyphenazine	[no description available]	medium	1	0	phenazines
ro 24-7429	[no description available]	medium	1	0	benzodiazepine
nintedanib	[no description available]	medium	1	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide	[no description available]	medium	1	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296	[no description available]	medium	1	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
rvx 208	[no description available]	medium	1	0
bmn 673	[no description available]	medium	1	0
2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester	[no description available]	medium	1	0	piperidines
puromycin	[no description available]	medium	1	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
pa 824	[no description available]	medium	1	0
diminazene aceturate	[no description available]	medium	1	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
tramadol	[no description available]	medium	1	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
norfentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	drug metabolite; opioid analgesic
hydrocodone	[no description available]	medium	1	0	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
dextrorphan	[no description available]	medium	1	0	morphinane alkaloid
3-methoxymorphinan	[no description available]	medium	1	0
noroxycodone	[no description available]	medium	1	0	phenanthrenes
tapentadol	[no description available]	medium	1	0	alkylbenzene
ent-dextilidine	[no description available]	medium	1	0	ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
carbachol	[no description available]	medium	12	1	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
potassium chloride	[no description available]	medium	5	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
ici 118551	[no description available]	medium	26	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
l 748,337	[no description available]	medium	1	0
magnesium sulfate	[no description available]	medium	16	6	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
dihydrostreptomycin sulfate	[no description available]	medium	1	0
angiotensin amide	[no description available]	medium	1	0	oligopeptide
laninamivir	[no description available]	medium	1	0	acetamides
colforsin	[no description available]	medium	12	2	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
colistin	[no description available]	medium	1	0
carbapenems	[no description available]	medium	1	0
oxitropium	[no description available]	medium	25	22
atosiban	[no description available]	medium	7	3	oligopeptide
vasotocin	[no description available]	medium	7	3
sulfuric acid	[no description available]	medium	1	0	sulfur oxoacid	catalyst
europium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
cl 316243	[no description available]	medium	1	0
piperidines	[no description available]	medium	8	1
am 251	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
leptin	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
cgp 20712a	[no description available]	medium	7	0
carazolol	[no description available]	medium	2	0	carbazoles
indacaterol	[no description available]	high	1	0	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
vilanterol	[no description available]	high	1	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
deoxycytidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aminoimidazole carboxamide	[no description available]	medium	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
aica ribonucleotide	[no description available]	medium	1	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
precirol	[no description available]	medium	1	0
n-vinyl-2-pyrrolidinone	[no description available]	medium	1	0	pyrrolidin-2-ones
ovalbumin	[no description available]	medium	9	0
eucalyptol	[no description available]	medium	1	0
cyclohexanol	[no description available]	medium	1	0	cyclohexanols; secondary alcohol	solvent
technetium	[no description available]	medium	4	3	manganese group element atom
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
endothelin-1	[no description available]	medium	5	0
1-methyl-4-phenylpyridinium	[no description available]	medium	1	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
ractopamine	[no description available]	medium	3	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
thymidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
azides	[no description available]	medium	1	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
3-(2-(4-azidobenzamidino)ethyl)-5-hydroxyindole	[no description available]	medium	1	0
helium	[no description available]	medium	3	2	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
heliox	[no description available]	medium	2	2
am 630	[no description available]	medium	1	0	N-acylindole
anandamide	[no description available]	medium	1	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
methacholine chloride	[no description available]	medium	22	6	quaternary ammonium salt
acid phosphatase	[no description available]	medium	2	0
interleukin-8	[no description available]	medium	3	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
adenosine-3',5'-cyclic phosphorothioate	[no description available]	medium	2	0	nucleoside 3',5'-cyclic phosphorothioate
rmi 12330a	[no description available]	medium	1	0
rolipram	[no description available]	medium	3	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
fluticasone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
sr 142801	[no description available]	medium	1	0
neurokinin a	[no description available]	medium	3	0
gliotoxin	[no description available]	medium	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
pyrrolidine dithiocarbamate	[no description available]	medium	1	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
tetradecanoylphorbol acetate	[no description available]	medium	4	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
butoxamine	[no description available]	medium	5	0
4-chloro-7-nitrobenzofurazan	[no description available]	medium	1	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
calcimycin	[no description available]	medium	7	0	benzoxazole
nitrites	[no description available]	medium	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
1-methyl-3-isobutylxanthine	[no description available]	medium	3	0	3-isobutyl-1-methylxanthine
brl 35135	[no description available]	medium	1	0
zinterol	[no description available]	medium	1	0
leukotriene b4	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
capsazepine	[no description available]	medium	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
3-nitrotyrosine	[no description available]	medium	1	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
tyrosine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
trypan blue	[no description available]	medium	1	0
barusiban	[no description available]	medium	1	0
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	5	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
h 89	[no description available]	medium	1	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
brl 37344	[no description available]	medium	6	0	monocarboxylic acid
sr 59230a	[no description available]	medium	1	0
oxadiazoles	[no description available]	medium	1	0
ciclesonide	[no description available]	medium	1	1	organic molecular entity
tiotropium bromide	[no description available]	medium	1	1
clorprenaline	[no description available]	medium	1	0	ethanolamines; monochlorobenzenes; secondary amino compound
titanium	[no description available]	medium	1	0	titanium group element atom
titanium dioxide	[no description available]	medium	1	0	titanium oxides	food colouring
pyrroles	[no description available]	medium	3	0	pyrrole; secondary amine
kt 5720	[no description available]	medium	2	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
pituitrin	[no description available]	medium	2	0
salicyl alcohol	[no description available]	medium	1	0	aromatic primary alcohol; hydroxybenzyl alcohol	human urinary metabolite
sigetin, dipotassium salt	[no description available]	medium	1	0
propantheline	[no description available]	medium	1	0	xanthenes
tretoquinol	[no description available]	medium	6	0	isoquinolines
thiourea	[no description available]	medium	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
deuterium	[no description available]	medium	1	0	dihydrogen
dimaprit	[no description available]	medium	1	0	imidothiocarbamic ester
prostaglandin d2	[no description available]	medium	2	0	prostaglandins D	human metabolite; mouse metabolite
leukotriene e4	[no description available]	medium	1	0	amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol
aminophylline	[no description available]	medium	30	8	mixture	bronchodilator agent; cardiotonic drug
choline	[no description available]	medium	1	1	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
cholinophyllin	[no description available]	medium	1	1
bradykinin	[no description available]	medium	2	0	oligopeptide	human blood serum metabolite; vasodilator agent
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one	[no description available]	medium	12	3	21-hydroxy steroid
carbuterol	[no description available]	medium	6	1	ureas
androstane-3,17-diol	[no description available]	medium	1	0	17-hydroxy steroid; 3-hydroxy steroid; androstanoid
bucladesine	[no description available]	medium	9	0	3',5'-cyclic purine nucleotide
glucose, (beta-d)-isomer	[no description available]	medium	1	0	D-glucopyranose	epitope; mouse metabolite
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	medium	2	2	ketone; prostaglandins Falpha	metabolite
urea	[no description available]	medium	2	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
xenon radioisotopes	[no description available]	medium	2	0
etofylline	[no description available]	medium	1	0	oxopurine
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
methylatropine	[no description available]	medium	1	1
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
thromboxane b2	[no description available]	medium	2	0	thromboxanes B	human metabolite; mouse metabolite
flunisolide	[no description available]	medium	3	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
phorbol 12,13-dibutyrate	[no description available]	medium	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
angiotensin ii	[no description available]	medium	3	0	amino acid zwitterion; angiotensin II	human metabolite
icatibant	[no description available]	medium	1	0
bradykinin, leu(8)-des-arg(9)-	[no description available]	medium	1	0
bradykinin, des-arg(9)-	[no description available]	medium	1	0	oligopeptide	bradykinin receptor B2 agonist
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
fluorosulfonic acid	[no description available]	medium	1	0	sulfur oxoacid	NMR solvent
cefotiam	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
flutropium bromide	[no description available]	medium	1	1
hexamethonium	[no description available]	medium	2	0	quaternary ammonium salt
selenium	[no description available]	medium	1	1	chalcogen; nonmetal atom	micronutrient
c-peptide	[no description available]	medium	4	0
glucagon	[no description available]	medium	1	0	peptide hormone
bromine	[no description available]	medium	1	0	diatomic bromine
sodium pertechnetate tc 99m	[no description available]	medium	3	2
glycogen	[no description available]	medium	2	0
soterenol	[no description available]	medium	1	0
nitrous oxide	[no description available]	medium	1	1	gas 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
isoflurane	[no description available]	medium	1	1	organofluorine compound	inhalation anaesthetic
prednylidene	[no description available]	medium	1	0	21-hydroxy steroid
talipexole	[no description available]	medium	1	0	azepine
trimethylchlorosilane	[no description available]	medium	1	0	silyl chloride	chromatographic reagent
n,n-bis(trimethylsilyl)-2,2,2-trifluoroacetamide	[no description available]	medium	1	0
povidone-iodine	[no description available]	medium	1	0
barium	[no description available]	medium	1	0	alkaline earth metal atom; elemental barium
cromakalim	[no description available]	medium	1	0
charybdotoxin	[no description available]	medium	1	0
losartan potassium	[no description available]	medium	4	3
apaflurane	[no description available]	medium	3	2
guanosine triphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
vasoactive intestinal peptide	[no description available]	medium	3	0
iberiotoxin	[no description available]	medium	1	0
tetrapentylammonium	[no description available]	medium	1	0	quaternary ammonium ion
transferrin	[no description available]	medium	1	1
glutamic acid	[no description available]	medium	1	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
cyanopindolol	[no description available]	medium	1	0	indoles
apraclonidine	[no description available]	medium	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
n-(1-methyl-2-phenylethyl)adenosine	[no description available]	medium	1	0
concanavalin a	[no description available]	medium	1	0
methylprednisolone hemisuccinate	[no description available]	medium	1	1	corticosteroid hormone; hemisuccinate
neurokinin a (4-10), beta-ala(8)-	[no description available]	medium	1	0
amibegron	[no description available]	medium	1	0	monocarboxylic acid
sulfur dioxide	[no description available]	medium	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
ethyl cellulose	[no description available]	medium	1	0	glycoside
cellulose	[no description available]	medium	1	0	glycoside
formaldehyde	[no description available]	medium	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	3	0	tripeptide
phenoxybenzamine	[no description available]	medium	2	0	aromatic amine
thiazoles	[no description available]	medium	2	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
benzofurans	[no description available]	medium	1	0
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
phosphatidylcholines	[no description available]	medium	4	0	1,2-diacyl-sn-glycero-3-phosphocholine
dexamethasone isonicotinate	[no description available]	medium	1	0	corticosteroid hormone
ethidium	[no description available]	medium	1	0	phenanthridines	fluorochrome; intercalator
ibuterol	[no description available]	medium	1	0
xanthinol niacinate	[no description available]	medium	2	0
chlorine	[no description available]	medium	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
oxymetazoline	[no description available]	medium	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alpha-methylhistamine	[no description available]	medium	1	0	aralkylamino compound; imidazoles	animal metabolite; H3-receptor agonist
9-(tetrahydro-2-furyl)-adenine	[no description available]	medium	1	0
butyroxan	[no description available]	medium	1	0
bromide	[no description available]	medium	3	0	halide anion; monoatomic bromine
cholesteryl oleate	[no description available]	medium	1	0	CE(18:1); cholesteryl octadec-9-enoate	mouse metabolite
3,5-dimethyl-2-(3-pyridyl)thiazolidin-4-one	[no description available]	medium	1	0
thiazolidines	[no description available]	medium	1	0	thiazolidine
erdosteine	[no description available]	medium	1	1	N-acyl-amino acid
thiophenes	[no description available]	medium	2	2	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ribose	[no description available]	medium	1	0	D-ribose; ribopyranose
dactinomycin	[no description available]	medium	1	0	actinomycin	mutagen
technetium tc 99m sulfur colloid	[no description available]	medium	1	1
allylestrenol	[no description available]	medium	1	0	steroid
dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide	[no description available]	medium	1	0
rosaprostol	[no description available]	medium	1	0	prostanoid
phenidone	[no description available]	medium	1	0
ro 363	[no description available]	medium	1	0
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
imidazole-2-hydroxybenzoate	[no description available]	medium	1	0
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
bitolterol	[no description available]	high	1	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
arachidonic acid	[no description available]	medium	2	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
methylethyl ketone	[no description available]	medium	1	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
cardiovascular agents	[no description available]	medium	1	0
6-ketoprostaglandin f1 alpha	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
indium	[no description available]	medium	1	0	boron group element atom
indium trichloride	[no description available]	medium	1	0
stepronin	[no description available]	medium	1	1	N-acyl-amino acid
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
carboprost	[no description available]	medium	1	0	hydroxy monocarboxylic acid	abortifacient; oxytocic
2,3-diphosphoglycerate	[no description available]	medium	1	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
nociceptin	[no description available]	medium	1	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
isomethyleugenol	[no description available]	medium	1	0	isomethyleugenol
fomesafen	[no description available]	medium	4	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
apnea	[no description available]	medium	3	0	purine nucleoside
exudates	[no description available]	medium	1	1
cilostazol	[no description available]	low	0	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
khellin	[no description available]	low	0	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
methoxyphenamine	[no description available]	low	0	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
theobromine	[no description available]	low	0	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
zardaverine	[no description available]	low	0	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
diphemanil methylsulfate	[no description available]	low	0	0	piperidines; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist; parasympatholytic
azelastine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
bambuterol hydrochloride	[no description available]	low	0	0	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent
s-nitrosoglutathione	[no description available]	low	0	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
arformoterol	[no description available]	low	0	0	N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
nab-365	[no description available]	low	0	0	hydrochloride	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
olodaterol	[no description available]	medium	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
aclidinium bromide	[no description available]	low	0	0	organic bromide salt; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist
dipivefrin	[no description available]	low	0	0	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent
midodrine	[no description available]	medium	0	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
phenmetrazine	[no description available]	low	0	0	morpholines	metabolite; sympathomimetic agent
tetrahydrozoline	[no description available]	low	0	0	carboxamidine; imidazolines	nasal decongestant; sympathomimetic agent
tetrahydrozoline hydrochloride	[no description available]	low	0	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
midodrine hydrochloride	[no description available]	low	0	0	hydrochloride	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
st 1059	[no description available]	medium	0	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
dobutamine hydrochloride	[no description available]	low	0	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
oxymetazoline hydrochloride	[no description available]	low	0	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dipivefrin hydrochloride	[no description available]	low	0	0	hydrochloride	adrenergic agonist; antiglaucoma drug; sympathomimetic agent
amezinium	[no description available]	low	0	0	aromatic ether; primary arylamine; pyridazinium ion	adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent
acebutolol hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
benzphetamine	[no description available]	low	0	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
arbutamine	[no description available]	low	0	0	catecholamine	beta-adrenergic agonist; cardiotonic drug
mirabegron	[no description available]	low	0	0	1,3-thiazoles; aromatic amide; ethanolamines; monocarboxylic acid amide	beta-adrenergic agonist
solabegron	[no description available]	medium	0	0	carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline	beta-adrenergic agonist
sk&f-38393	[no description available]	low	0	0	benzazepine; catechols; secondary amino compound
monomethylpropion	[no description available]	low	0	0	aromatic ketone; secondary amino compound
alminoprofen	[no description available]	low	0	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
benzylhydrochlorothiazide	[no description available]	low	0	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
betahistine	[no description available]	low	0	0	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent
guazatine	[no description available]	low	0	0	aliphatic nitrogen antifungal agent; guanidines; secondary amino compound	antifungal agrochemical
guvacine	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide	[no description available]	low	0	0	bromobenzenes; isoquinolines; olefinic compound; secondary amino compound; sulfonamide	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
mefenamic acid	[no description available]	low	0	0	aminobenzoic 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
n(1), n(12)-diethylspermine	[no description available]	low	0	0	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent
fenamic acid	[no description available]	low	0	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
nemonapride	[no description available]	low	0	0	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline
pd 153035	[no description available]	low	0	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pd 158780	[no description available]	low	0	0	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
salmeterol xinafoate	[no description available]	low	0	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
tetrahydropapaverine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
wb 4101	[no description available]	low	0	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
n,n'-diphenyl-4-phenylenediamine	[no description available]	low	0	0	N-substituted diamine; secondary amino compound	antioxidant
methyl n-methylanthranilate	[no description available]	low	0	0	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite
propylhexedrine	[no description available]	low	0	0	secondary amino compound
4-aminodiphenylamine	[no description available]	low	0	0	aromatic amine; secondary amino compound	allergen
cyclopentamine	[no description available]	low	0	0	secondary amino compound
diisopropanolamine	[no description available]	low	0	0	aminodiol; secondary alcohol; secondary amino compound	buffer; emulsifier; surfactant
meglumine	[no description available]	low	0	0	hexosamine; secondary amino compound
cytisine	[no description available]	low	0	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
octamylamine	[no description available]	low	0	0	secondary amino compound
noramidopyrine	[no description available]	low	0	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
n-methylaspartate	[no description available]	low	0	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
acridine half-mustard	[no description available]	low	0	0	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen
metipranolol	[no description available]	low	0	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
amoscanate	[no description available]	low	0	0	C-nitro compound; isothiocyanate; secondary amino compound	schistosomicide drug
norflurazone	[no description available]	low	0	0	(trifluoromethyl)benzenes; organochlorine compound; pyridazinone; secondary amino compound	agrochemical; carotenoid biosynthesis inhibitor; herbicide
pendimethalin	[no description available]	low	0	0	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide
bupirimate	[no description available]	low	0	0	aminopyrimidine; pyrimidine fungicide; secondary amino compound; sulfamate ester	androgen antagonist; antifungal agrochemical
bopindolol	[no description available]	low	0	0	aromatic ether; benzoate ester; methylindole; secondary amino compound
temafloxacin	[no description available]	low	0	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
plerixafor	[no description available]	low	0	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
tubulosine	[no description available]	low	0	0	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound
2-(methylamino)isobutyric acid	[no description available]	low	0	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
caldopentamine	[no description available]	low	0	0	polyazaalkane; primary amino compound; secondary amino compound	marine metabolite
mepanipyrim	[no description available]	low	0	0	acetylenic compound; aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; hepatotoxic agent
cyprodinil	[no description available]	low	0	0	aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic
pyrimethanil	[no description available]	low	0	0	aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic
fluazinam	[no description available]	low	0	0	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile	[no description available]	low	0	0	dimethoxybenzene; nitrile; secondary amino compound	drug metabolite; marine xenobiotic metabolite
phenylisopropyladenosine	[no description available]	low	0	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
p-methoxy-n-methylphenethylamine	[no description available]	low	0	0	aromatic ether; secondary amino compound	metabolite
norverapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; secondary amino compound
3,4-methylenedioxyethamphetamine	[no description available]	low	0	0	benzodioxoles; secondary amino compound
beta-n-methylamino-l-alanine	[no description available]	low	0	0	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin
nopaline	[no description available]	low	0	0	amino acid opine; D-glutamic acid derivative; guanidines; L-arginine derivative; secondary amino compound; tricarboxylic acid
octopine	[no description available]	low	0	0	amino acid opine; amino dicarboxylic acid; D-alpha-amino acid zwitterion; D-arginine derivative; guanidines; secondary amino compound	animal metabolite; xenobiotic metabolite
4'-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
ym 12617	[no description available]	low	0	0	aromatic ether; secondary amino compound; sulfonamide
mannopine	[no description available]	low	0	0	amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	plant metabolite
ezogabine	[no description available]	low	0	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
aj 76	[no description available]	low	0	0	secondary amino compound; tetralins	dopaminergic antagonist
nsc 224070	[no description available]	low	0	0	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent
als 8123	[no description available]	low	0	0	carboxylic acid; ethanolamines; secondary amino compound
7-nitrobenzoxadiazole-6-aminohexanoic acid	[no description available]	low	0	0	benzoxadiazole; C-nitro compound; epsilon-amino acid; secondary amino compound	fluorochrome
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane	[no description available]	low	0	0	secondary amino compound
cox 189	[no description available]	low	0	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
cinacalcet	[no description available]	low	0	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
guvacoline	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite
actinodaphine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
baeocystin	[no description available]	low	0	0	organic phosphate; secondary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen
alpha-putrescinylthymine	[no description available]	low	0	0	N-substituted putrescine; pyrimidine nucleobase; pyrimidone; secondary amino compound; tertiary amino compound
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	[no description available]	low	0	0	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent
nsc 23766	[no description available]	low	0	0	aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound	antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist
norbelladine	[no description available]	low	0	0	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite
e 3040	[no description available]	low	0	0	benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound	anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug
E3040 glucuronide	[no description available]	low	0	0	benzothiazoles; beta-D-glucosiduronic acid; pyridines; secondary amino compound	xenobiotic metabolite
validamycin a	[no description available]	low	0	0	antibiotic fungicide; polyol; secondary amino compound; validamycins	antifungal agrochemical; EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor; EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ergonovine	[no description available]	low	0	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one	[no description available]	low	0	0	benzoic acids; primary alcohol; pyrrolidin-2-ones; secondary amino compound
tolfenamic acid	[no description available]	low	0	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
N-benzylquinazolin-4-amine	[no description available]	low	0	0	benzenes; quinazolines; secondary amino compound
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline
loline	[no description available]	low	0	0	loline alkaloid; secondary amino compound
SMER 28	[no description available]	low	0	0	organobromine compound; quinazolines; secondary amino compound	autophagy inducer
amn082	[no description available]	low	0	0	benzenes; diamine; diarylmethane; secondary amino compound	metabotropic glutamate receptor agonist; neuroprotective agent
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide	[no description available]	low	0	0	acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline
spiraprilat	[no description available]	low	0	0	azaspiro compound; dicarboxylic acid; dipeptide; dithioketal; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
noribogaine	[no description available]	low	0	0	monoterpenoid indole alkaloid; organic heteropentacyclic compound; secondary amino compound; tertiary amino compound	kappa-opioid receptor agonist; NMDA receptor antagonist; psychotropic drug; serotonin uptake inhibitor
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
n,o-didesmethylvenlafaxine	[no description available]	low	0	0	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite
n-desmethylvenlafaxine	[no description available]	low	0	0	cyclohexanols; monomethoxybenzene; secondary amino compound	drug metabolite; marine xenobiotic metabolite
sb 415286	[no description available]	low	0	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	[no description available]	low	0	0	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	[no description available]	low	0	0	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound
chanoclavine	[no description available]	low	0	0	benzoindole; ergot alkaloid; organic heterotricyclic compound; primary alcohol; secondary amino compound
pibutidine	[no description available]	low	0	0	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist
purmorphamine	[no description available]	low	0	0	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin	[no description available]	low	0	0	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor
spirapril	[no description available]	low	0	0	azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
trandolaprilat	[no description available]	low	0	0	dicarboxylic acid; dipeptide; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; human xenobiotic metabolite
amocarzine	[no description available]	low	0	0	C-nitro compound; N-methylpiperazine; secondary amino compound; thioureas	antinematodal drug
imidapril	[no description available]	low	0	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
imidaprilat	[no description available]	low	0	0	dicarboxylic acid; dipeptide; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ximelagatran	[no description available]	low	0	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
GSK3-XIII	[no description available]	low	0	0	aromatic amine; pyrazoles; quinazolines; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
robenacoxib	[no description available]	low	0	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tanespimycin	[no description available]	low	0	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
panobinostat	[no description available]	low	0	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
bis(7)-tacrine	[no description available]	low	0	0	secondary amino compound	apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent
r 115866	[no description available]	low	0	0	aromatic amine; benzothiazoles; secondary amino compound; triazoles
pd 0325901	[no description available]	low	0	0	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
dysiherbaine	[no description available]	low	0	0	amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound	animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin
mocetinostat	[no description available]	low	0	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
zm 447439	[no description available]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
rucaparib	[no description available]	low	0	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
chir 99021	[no description available]	low	0	0	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
sch 51344	[no description available]	low	0	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
binimetinib	[no description available]	low	0	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
3-epi-fagomine	[no description available]	low	0	0	amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol	EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite
saracatinib	[no description available]	low	0	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
ethaboxam	[no description available]	low	0	0	1,3-thiazoles; aromatic amide; aromatic amine; nitrile; secondary amino compound; thiophenes
abt-737	[no description available]	low	0	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
validoxylamine a	[no description available]	low	0	0	amino cyclitol; secondary amino compound	animal metabolite; antibiotic insecticide; bacterial metabolite; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ceratamine a	[no description available]	low	0	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
azd 8931	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
bay94 9172	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent
pf 00299804	[no description available]	low	0	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
sarpagine	[no description available]	low	0	0	indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound
vizamyl	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic amine; benzothiazoles; secondary amino compound	radioactive imaging agent
azd 1152-hqpa	[no description available]	low	0	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
pamapimod	[no description available]	low	0	0	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gdc-0973	[no description available]	low	0	0	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat	[no description available]	low	0	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
tg101209	[no description available]	low	0	0	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
WAY-316606	[no description available]	low	0	0	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
zm323881	[no description available]	low	0	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	[no description available]	low	0	0	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinib	[no description available]	low	0	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
asp3026	[no description available]	low	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib	[no description available]	low	0	0	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinib	[no description available]	low	0	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
(R)-DRF053	[no description available]	low	0	0	2,6-diaminopurines; phenylpyridine; primary alcohol; secondary amino compound	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
GDC-0623	[no description available]	low	0	0	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
cblc137	[no description available]	low	0	0	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator
mephedrone	[no description available]	low	0	0	amphetamines; aromatic ketone; secondary amino compound	environmental contaminant; xenobiotic
lrrk2-in1	[no description available]	low	0	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
gilteritinib	[no description available]	low	0	0	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240	[no description available]	low	0	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
chir 98014	[no description available]	low	0	0	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	[no description available]	low	0	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
AZD3463	[no description available]	low	0	0	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
HG-10-102-01	[no description available]	low	0	0	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
gsk2879552	[no description available]	low	0	0	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
osimertinib	[no description available]	low	0	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
ly3009120	[no description available]	low	0	0	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor
as 1842856	[no description available]	low	0	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
ldc4297	[no description available]	low	0	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
hg-9-91-01	[no description available]	low	0	0	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
chrysopine	[no description available]	low	0	0	amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol	plant metabolite
BDA-366	[no description available]	low	0	0	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer
THZ531	[no description available]	low	0	0	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
indolmycin	[no description available]	low	0	0	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
ethirimol	[no description available]	low	0	0	aminopyrimidine; pyrimidine fungicide; pyrimidone; secondary amino compound	antifungal agrochemical
liproxstatin-1	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger
monoisopropanolamine	[no description available]	low	0	0	amino alcohol; secondary alcohol	Escherichia coli metabolite
2,3-butylene glycol	[no description available]	low	0	0	butanediol; glycol; secondary alcohol
isocitric acid	[no description available]	low	0	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
chlorphenesin carbamate	[no description available]	low	0	0	carbamate ester; monochlorobenzenes; secondary alcohol	muscle relaxant
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol	[no description available]	low	0	0	benzyl alcohols; fatty amide; morpholines; secondary alcohol; tertiary amino compound
2-propanol	[no description available]	low	0	0	secondary alcohol; secondary fatty alcohol	protic solvent
2-butanol	[no description available]	low	0	0	secondary alcohol
benzohydrol	[no description available]	low	0	0	benzyl alcohols; secondary alcohol	bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite
1,3-dichloro-2-propanol	[no description available]	low	0	0	organochlorine compound; secondary alcohol	cross-linking reagent; protic solvent
ethyl lactate	[no description available]	low	0	0	ethyl ester; lactate ester; secondary alcohol	metabolite
12-hydroxy stearic acid	[no description available]	low	0	0	hydroxyoctadecanoic acid; secondary alcohol	bacterial xenobiotic metabolite; plant metabolite
3,3,5-trimethylcyclohexanol	[no description available]	low	0	0	cyclohexanols; secondary alcohol	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor
2-methyl-5-(1-methylethenyl)cyclohexanol	[no description available]	low	0	0	p-menthane monoterpenoid; secondary alcohol	acaricide; plant metabolite; volatile oil component
2-hexanol	[no description available]	low	0	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
2-nonanol	[no description available]	low	0	0	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component
ethyl mandelate	[no description available]	low	0	0	ethyl ester; secondary alcohol
3-quinuclidinol	[no description available]	low	0	0	quinuclidines; secondary alcohol; tertiary amine
2-undecanol	[no description available]	low	0	0	secondary alcohol; undecanol	animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component
2,5-hexanediol	[no description available]	low	0	0	glycol; secondary alcohol
2-octanol	[no description available]	low	0	0	octanol; secondary alcohol	plant metabolite; volatile oil component
sulcatol	[no description available]	low	0	0	secondary alcohol	pheromone
1-indanol	[no description available]	low	0	0	aromatic alcohol; indanes; secondary alcohol	xenobiotic
helenalin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
ornidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
1-chloro-2-propanol	[no description available]	low	0	0	organochlorine compound; secondary alcohol
diisopropanolnitrosamine	[no description available]	low	0	0	diol; nitrosamine; secondary alcohol	carcinogenic agent
ranolazine	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
lisofylline	[no description available]	low	0	0	dimethylxanthine; secondary alcohol
eliprodil	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
nelfinavir	[no description available]	low	0	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
calanolide a	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
cephalotaxine	[no description available]	low	0	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound
secnidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; secondary alcohol	epitope
zaluzanin C	[no description available]	low	0	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
beta-amyrin	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
alpha-amyrin	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol
mandelamide	[no description available]	low	0	0	benzyl alcohols; monocarboxylic acid amide; secondary alcohol
fluoren-9-ol	[no description available]	low	0	0	hydroxyfluorenes; secondary alcohol	animal metabolite
loganin	[no description available]	low	0	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
1-cyano-2-hydroxy-3-butene	[no description available]	low	0	0	secondary alcohol
bitertanol	[no description available]	low	0	0	aromatic ether; biphenyls; secondary alcohol; triazoles
taraxerol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	metabolite
4,4'-oxydi-2-butanol	[no description available]	low	0	0	secondary alcohol
lactamide	[no description available]	low	0	0	monocarboxylic acid amide; secondary alcohol
sporidesmin	[no description available]	low	0	0	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator
erythrodiol	[no description available]	low	0	0	diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol	plant metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol	[no description available]	low	0	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol	[no description available]	low	0	0	nitrosamine; pyridines; secondary alcohol	biomarker; carcinogenic agent; human urinary metabolite
4-hydroxydebrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
tabtoxin	[no description available]	low	0	0	dipeptide; L-threonine derivative; monobactam; secondary alcohol	bacterial metabolite; toxin
florfenicol	[no description available]	low	0	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
megestrol acetate	[no description available]	low	0	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite
paliperidone	[no description available]	low	0	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
taraxasterol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite
cubebin	[no description available]	low	0	0	benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol	analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug
bw 245c	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid; secondary alcohol
conduritol b	[no description available]	low	0	0	cyclitol; secondary alcohol; tetrol
withanolide d	[no description available]	low	0	0	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent
ml 236a	[no description available]	low	0	0	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antiatherosclerotic agent; anticholesteremic drug; antilipemic drug; antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite
corynoline	[no description available]	low	0	0	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite
fumagillol	[no description available]	low	0	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
withaferin a	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
2-hydroxypropylphosphonic acid	[no description available]	low	0	0	phosphonic acids; secondary alcohol	mouse metabolite
xv 638	[no description available]	low	0	0	1,3-thiazoles; benzamides; diazepanone; diol; secondary alcohol; secondary carboxamide; ureas	HIV protease inhibitor
hippeastrine	[no description available]	low	0	0	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite
decursinol	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
lactucin	[no description available]	low	0	0	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative
yersiniabactin	[no description available]	low	0	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
prostaglandin h2	[no description available]	low	0	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
(north)-methanocarbathymidine	[no description available]	low	0	0	C-glycosyl pyrimidine; carbobicyclic compound; primary alcohol; pyrimidone; secondary alcohol
mupirocin	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
costatolide	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
pf 1163a	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite
tiamulin	[no description available]	low	0	0	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug
wiskostatin	[no description available]	low	0	0	carbazoles; organobromine compound; secondary alcohol; tertiary amino compound
galanal a	[no description available]	low	0	0	secondary alcohol
brl 15572	[no description available]	low	0	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
australifungin	[no description available]	low	0	0	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite
bryostatin 1	[no description available]	low	0	0	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2	[no description available]	low	0	0	prostaglandins J; secondary alcohol	antineoplastic agent; antiviral agent
previtamin d(3)	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol	human metabolite
azadirachtin	[no description available]	low	0	0	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent
strigol	[no description available]	low	0	0	indenofuran; secondary alcohol; strigolactone
eupatolide	[no description available]	low	0	0	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite
l 683590	[no description available]	low	0	0	ether; lactol; macrolide; secondary alcohol	antifungal agent; bacterial metabolite; immunosuppressive agent
17-phenyltrinorprostaglandin e2	[no description available]	low	0	0	alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol	human metabolite; prostaglandin receptor agonist
2,3-dinor-6-ketoprostaglandin f1alpha	[no description available]	low	0	0	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite
8-isoprostaglandin e2	[no description available]	low	0	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
calcipotriene	[no description available]	low	0	0	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen
bay u9773	[no description available]	low	0	0	benzoic acids; dicarboxylic acid; organic sulfide; polyunsaturated fatty acid; secondary alcohol	leukotriene antagonist
andrographolide	[no description available]	low	0	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
oridonin	[no description available]	low	0	0	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
lasalocid	[no description available]	low	0	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
pederin	[no description available]	low	0	0	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant
streptogramin a	[no description available]	low	0	0	1,3-oxazoles; cyclic ketone; enamide; lactam; macrolide antibiotic; macrolide; pyrroline; secondary alcohol; secondary carboxamide; tertiary carboxamide	antibacterial drug; Mycoplasma genitalium metabolite
benanomicin b	[no description available]	low	0	0	aromatic ether; disaccharide derivative; L-alanine derivative; polyketide; polyphenol; pradimicin; secondary alcohol
pradimicin b	[no description available]	low	0	0	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol
poricoic acid a	[no description available]	low	0	0	dicarboxylic acid; secondary alcohol; tricyclic triterpenoid	fungal metabolite
poricoic acid g	[no description available]	low	0	0	dicarboxylic acid; secondary alcohol; tricyclic triterpenoid	fungal metabolite
pradimicin a	[no description available]	low	0	0	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol
l 685458	[no description available]	low	0	0	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic
uniconazole	[no description available]	low	0	0	monochlorobenzenes; secondary alcohol; triazoles
diniconazole	[no description available]	low	0	0	dichlorobenzene; olefinic compound; secondary alcohol; triazoles
lumefantrine	[no description available]	low	0	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
bryostatin 2	[no description available]	low	0	0	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist
everolimus	[no description available]	low	0	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
terpestacin	[no description available]	low	0	0	secondary alcohol
chaetoviridin a	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	antifungal agent; Chaetomium metabolite
ro 25-6981	[no description available]	low	0	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
beraprost	[no description available]	low	0	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
yunaconitine	[no description available]	low	0	0	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic
laulimalide	[no description available]	low	0	0	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent
grayanotoxin i	[no description available]	low	0	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin
fr 148083	[no description available]	low	0	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
tmc-95a	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
monacolin j	[no description available]	low	0	0	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite
ustiloxin b	[no description available]	low	0	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin
glutinol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol
ly 411575	[no description available]	low	0	0	dibenzoazepine; difluorobenzene; lactam; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor
manassantin b	[no description available]	low	0	0	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite
tmc-95b	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
ossamycin	[no description available]	low	0	0	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite
migrastatin	[no description available]	low	0	0	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite
allobetulinol	[no description available]	low	0	0	cyclic ether; secondary alcohol; triterpenoid
brivanib	[no description available]	low	0	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
alpha-onocerin	[no description available]	low	0	0	diol; olefinic compound; secondary alcohol; triterpenoid	plant metabolite
cortistatin a	[no description available]	low	0	0	cortistatins; diol; secondary alcohol
amrubicinol	[no description available]	low	0	0	diastereoisomeric mixture; quinone; secondary alcohol; tetracenes	antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor
cytotrienin a	[no description available]	low	0	0	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite
pyrostatin a	[no description available]	low	0	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; iminium betaine; monocarboxylic acid; secondary alcohol
oplodiol	[no description available]	low	0	0	carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol	plant metabolite
simalikalactone D	[no description available]	low	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
monacolin l	[no description available]	low	0	0	2-pyranones; hexahydronaphthalenes; polyketide; secondary alcohol	anticholesteremic drug; Aspergillus metabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor
2,3-dihydrowithaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	plant metabolite
adonixanthin	[no description available]	low	0	0	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite
3'-hydroxyechinenone	[no description available]	low	0	0	carotenone; enone; secondary alcohol	bacterial metabolite; biological pigment; cofactor
tubocapsanolide a	[no description available]	low	0	0	4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide	antineoplastic agent; NF-kappaB inhibitor
pyranonigrin a	[no description available]	low	0	0	cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol	antioxidant; Aspergillus metabolite; marine metabolite
benzoylaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether	[no description available]	low	0	0	dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol	plant metabolite
lucidenic acid n	[no description available]	low	0	0	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
deoxyaconitine	[no description available]	low	0	0	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite
4'-epichaetoviridin A	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	Chaetomium metabolite
eliglustat	[no description available]	low	0	0	benzodioxine; carboxamide; N-alkylpyrrolidine; secondary alcohol	EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
borrelidin	[no description available]	low	0	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
aspergillide b	[no description available]	low	0	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
delanzomib	[no description available]	low	0	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
benzoylmesaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite
papuamide b	[no description available]	low	0	0	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite
albiflorin	[no description available]	low	0	0	benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol	neuroprotective agent; plant metabolite
antroquinonol d	[no description available]	low	0	0	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite
bacillaene	[no description available]	low	0	0	enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol	antibacterial agent; antimicrobial agent; bacterial metabolite
fumonisin b4	[no description available]	low	0	0	diester; fumonisin; primary amino compound; secondary alcohol	Aspergillus metabolite
cay 10580	[no description available]	low	0	0	hydroxy monocarboxylic acid; pyrrolidin-2-ones; secondary alcohol	prostaglandin receptor agonist
debromoaplysiatoxin	[no description available]	low	0	0	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
aplysiatoxin	[no description available]	low	0	0	aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
eurycomanone	[no description available]	low	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite
crambescidin 800	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
afidopyropen	[no description available]	low	0	0	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator
orobanchol	[no description available]	low	0	0	indenofuran; secondary alcohol; strigolactone	plant metabolite
asperfuranone	[no description available]	low	0	0	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite
aspergillide a	[no description available]	low	0	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
capilliposide b	[no description available]	low	0	0	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite
myriaporone 3	[no description available]	low	0	0	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite
cyclooctatin	[no description available]	low	0	0	carbotricyclic compound; diterpenoid; primary alcohol; secondary alcohol; tertiary alcohol	bacterial metabolite; EC 3.1.1.5 (lysophospholipase) inhibitor
entecavir	[no description available]	low	0	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
chrysogine	[no description available]	low	0	0	cyclic amide; quinazoline alkaloid; quinazolines; secondary alcohol; secondary amide	Aspergillus metabolite; biological pigment; marine metabolite
resveratrol	[no description available]	low	0	0	polyphenol; resorcinols; stilbenol	antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin
resacetophenone	[no description available]	low	0	0	dihydroxyacetophenone; resorcinols	plant metabolite
alpha-resorcylic acid	[no description available]	low	0	0	dihydroxybenzoic acid; resorcinols	metabolite
olivetol	[no description available]	low	0	0	resorcinols	lichen metabolite
pyoluteorin	[no description available]	low	0	0	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite
orsellinic acid	[no description available]	low	0	0	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite
5-methoxyresorcinol	[no description available]	low	0	0	monomethoxybenzene; resorcinols	Brassica napus metabolite
Zearalanone	[no description available]	low	0	0	macrolide; resorcinols
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone	[no description available]	low	0	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone	[no description available]	low	0	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
2,4,6-triiodoresorcinol	[no description available]	low	0	0	resorcinols
cannabidiolic acid	[no description available]	low	0	0	dihydroxybenzoic acid; phytocannabinoid; polyketide; resorcinols
stemphol	[no description available]	low	0	0	resorcinols
4-n-butylresorcinol	[no description available]	low	0	0	resorcinols
dihydropinosylvin	[no description available]	low	0	0	diphenylethane; resorcinols	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
knipholone	[no description available]	low	0	0	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite
3,5-dihydroxyphenylglycine	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
gancaonin I	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
licocoumarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
vedelianin	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
cannabidiol	[no description available]	low	0	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
3,3',4,5'-tetrahydroxystilbene	[no description available]	low	0	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
cct018159	[no description available]	low	0	0	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
olivetolic acid	[no description available]	low	0	0	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
ver-49009	[no description available]	low	0	0	aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols	Hsp90 inhibitor
zearalenone	[no description available]	low	0	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
kuwanon g	[no description available]	low	0	0	resorcinols; tetrahydroxyflavone	anti-inflammatory agent; plant metabolite
kuwanon h	[no description available]	low	0	0	resorcinols; tetrahydroxyflavone	plant metabolite
cannabigerol	[no description available]	low	0	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
glycycoumarin	[no description available]	low	0	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
isosalipurposide	[no description available]	low	0	0	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside	[no description available]	low	0	0	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor
noreugenin	[no description available]	low	0	0	chromones; resorcinols	plant metabolite
ascofuranone	[no description available]	low	0	0	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite
cannabigerolic acid	[no description available]	low	0	0	dihydroxybenzoic acid; diterpenoid; phytocannabinoid; polyketide; resorcinols
LL-Z1640-1	[no description available]	low	0	0	macrolide; resorcinols	metabolite
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone	[no description available]	low	0	0	chalcones; monomethoxybenzene; resorcinols	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
ascochlorin	[no description available]	low	0	0	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite
at 13387	[no description available]	low	0	0	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	0	0	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite
4-methyl-5-pentylbenzene-1,3-diol	[no description available]	low	0	0	resorcinols	antineoplastic agent
schweinfurthin g	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
violaceol II	[no description available]	low	0	0	aromatic ether; catechols; resorcinols	mycotoxin
schweinfurthin f	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
3,5-dimethylorsellinic acid	[no description available]	low	0	0	dihydroxybenzoic acid; resorcinols	Aspergillus metabolite
brartemicin	[no description available]	low	0	0	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite

Article	Year
[Effectiveness and safety of atosiban vs. pulsatile administration of fenoterol in the treatment of preterm labour]. Zeitschrift fur Geburtshilfe und Neonatologie, Volume: 213, Issue: 5	2009
Efficacy and safety of ipratropium bromide plus fenoterol inhaled via Respimat Soft Mist Inhaler vs. a conventional metered dose inhaler plus spacer in children with asthma. Pediatric pulmonology, Volume: 37, Issue: 3	2004
Maternal and fetal side effects of tocolysis using transdermal nitroglycerin or intravenous fenoterol combined with magnesium sulfate. European journal of obstetrics, gynecology, and reproductive biology, Jan-10, Volume: 106, Issue: 1	2003
Fenoterol hydrobromide delivered via HFA-MDI or CFC-MDI in patients with asthma: a safety and efficacy comparison. Respiratory medicine, Volume: 94, Issue: 10	2000
Comparison of the safety of drug delivery via HFA- and CFC-metered dose inhalers in CAO. The European respiratory journal, Volume: 15, Issue: 4	2000
Reducing adverse effects of inhaled fenoterol through optimization of the aerosol formulation. Journal of aerosol medicine : the official journal of the International Society for Aerosols in Medicine,Winter, Volume: 12, Issue: 4	1999
Pulsatile vs. continuous parenteral tocolysis: comparison of side effects. European journal of obstetrics, gynecology, and reproductive biology, Volume: 85, Issue: 2	1999
Efficacy and side effects of beta 2-agonists by inhaled route in acute asthma in children: comparison of salbutamol, terbutaline, and fenoterol. The Journal of asthma : official journal of the Association for the Care of Asthma, Volume: 33, Issue: 6	1996
Cardiovascular safety of high doses of inhaled fenoterol and albuterol in acute severe asthma. Chest, Volume: 110, Issue: 3	1996
[Comparative study of maternal side effects of various forms of intravenous therapy with fenoterol in premature labor]. Gynakologisch-geburtshilfliche Rundschau, Volume: 35 Suppl 1	1995
The effect of a warning about putative adverse events on drug prescribing in general practice. Social science & medicine (1982), Volume: 37, Issue: 7	1993
[Investigations in animal experiments into the influence of the beta-1-selective blocking agent metoprolol on the cardiovascular and metabolic side effects of the tocolytic fenoterol]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 185, Issue: 6	1981
The effect of fasting on oral acute toxicity of drugs in rats and mice. Laboratory animals, Volume: 15, Issue: 4	1981
Isoproterenol-induced cytotoxicity in neonatal rat heart cell cultures is mediated by free radical formation. Journal of molecular and cellular cardiology, Volume: 21, Issue: 12	1989
[The bronchospasmolytics salbutamol, fenoterol, terbutaline and reproterol. Their effects and side effects in asthmatics after inhalation with an electric nebulizer]. Schweizerische medizinische Wochenschrift, Aug-05, Volume: 108, Issue: 31	1978
[Treatment of premature labour and antagonization of the side effects of tocolytic therapy with verapamil (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 181, Issue: 5	1977
[Newborn cardiotoxicity after tocolysis with fenoterolhydrobromide]. Padiatrie und Padologie, Volume: 14, Issue: 4	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effects of clenbuterol on contractility and Ca2+ homeostasis of isolated rat ventricular myocytes. American journal of physiology. Heart and circulatory physiology, Volume: 295, Issue: 5	2008
[Experience in long-term use of berodual in the treatment of patients with chronic obstructive bronchitis]. Terapevticheskii arkhiv, Volume: 71, Issue: 3	1999
Regular inhaled beta agonist in asthma: effects on exacerbations and lung function. Thorax, Volume: 48, Issue: 2	1993
[Increased activity of aminotransferases (ALAT, AspAT) in pregnant women threatened with immature and premature delivery treated with fenoterol]. Ginekologia polska, Volume: 64, Issue: 3	1993
Chronic exposure to a beta 2-adrenoceptor agonist increases the airway response to methacholine. European journal of pharmacology, Sep-07, Volume: 241, Issue: 1	1993
Assessment of a new device (aerochamber) for use with aerosol drugs in asthmatic children. Annals of allergy, Volume: 50, Issue: 3	1983
Anticholinergic and sympathomimetic combination therapy of asthma. The Journal of allergy and clinical immunology, Volume: 71, Issue: 3	1983
Comparison of the bronchodilator effects of aerosol fenoterol and isoproterenol. Chest, Volume: 72, Issue: 6	1977
[Platelet function during long term inhibition of labour by fenoterol/verapamil (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 182, Issue: 6	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Semi-automated in vivo solid-phase microextraction sampling and the diffusion-based interface calibration model to determine the pharmacokinetics of methoxyfenoterol and fenoterol in rats. Analytica chimica acta, Sep-12, Volume: 742	2012
Pharmacokinetics and metabolism of (R,R)-methoxyfenoterol in rat. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 40, Issue: 3	2010
Bronchodilatation effects of a small volume spacer used with a metered-dose inhaler. The Journal of asthma : official journal of the Association for the Care of Asthma, Volume: 46, Issue: 7	2009
Preparation and in-vivo pharmacokinetic study of a novel extended release compression coated tablets of fenoterol hydrobromide. AAPS PharmSciTech, Volume: 9, Issue: 3	2008
Bronchodilator response in residual volume in irreversible airway obstruction. Swiss medical weekly, May-03, Volume: 138, Issue: 17-18	2008
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7	2008
[Effect of changes in airway pressure and the inspiratory volume on the fluid filtration rate and pulmonary artery pressure in isolated rabbit lungs perfused with blood and acellular solution]. Investigacion clinica, Volume: 47, Issue: 4	2006
Reproducibility of forced inspiratory and expiratory volumes after bronchodilation in patients with COPD or asthma. Respiratory medicine, Volume: 97, Issue: 5	2003
[Pharmacodynamics of inhalation broncholytic agents introduced in a single dose by nebulizer in patients with severe exacerbation of bronchial asthma]. Terapevticheskii arkhiv, Volume: 74, Issue: 3	2002
Pharmacokinetics of beta2-sympathomimetics at the example of fenoterol and conclusion for the administration. Wiadomosci lekarskie (Warsaw, Poland : 1960), Volume: 51, Issue: 1-2	1998
Relationship between bronchial reversibility and tracheobronchial clearance in patients with chronic bronchitis. Thorax, Volume: 52, Issue: 2	1997
Pharmacokinetics and pharmacodynamics of beta 2-agonists (in the light of fenoterol). Respiration; international review of thoracic diseases, Volume: 62, Issue: 4	1995
Pharmacokinetics of fenoterol in pregnant and nonpregnant women. European journal of clinical pharmacology, Volume: 45, Issue: 3	1993
Pharmacokinetics of fenoterol in pregnant women. Arzneimittel-Forschung, Volume: 45, Issue: 2	1995
133Xenon clearance from amniotic fluid in baboons during administration of oxytocin, prostaglandin F2 alpha and a beta-mimetic agent. Acta obstetricia et gynecologica Scandinavica, Volume: 62, Issue: 1	1983
Investigation into the effect of Fenoterol on mucociliary clearance in patients with chronic bronchitis. European journal of nuclear medicine, Volume: 14, Issue: 11	1988
Action of tulobuterol and fenoterol on the mucociliary clearance. Respiration; international review of thoracic diseases, Volume: 51, Issue: 2	1987
Fatal asthma in a young patient with severe bronchial hyperresponsiveness but stable peak flow records. The European respiratory journal, Volume: 2, Issue: 10	1989
[Standards in evaluating the test of obstruction reversibility based on the flow-volume curves]. Pneumonologia i alergologia polska, Volume: 59, Issue: 11-12	1991
Effects of adrenoreceptor antagonists and agonists on clearance of emulsion models of triacylglycerol-rich lipoproteins from plasma in rats. Clinical and experimental pharmacology & physiology, Volume: 18, Issue: 11	1991
Pharmacokinetic/dynamic correlation of pulmonary and cardiac effects of fenoterol in asthmatic patients after different routes of administration. Pharmaceutical research, Volume: 9, Issue: 3	1992
The pharmacokinetics of the beta 2-adrenoceptor agonist fenoterol in healthy women. European journal of clinical pharmacology, Volume: 43, Issue: 6	1992
Pharmacokinetic/pharmacodynamic characteristics of the beta-2-agonists terbutaline, salbutamol and fenoterol. International journal of clinical pharmacology, therapy, and toxicology, Volume: 30, Issue: 9	1992
[Pharmacokinetic investigations of verapamil used as a concomitant drug in treatment of premature labor]. Ginekologia polska, Volume: 63, Issue: 4	1992
Influence of beta-2 agonist aerosols on pressure-volume characteristics of the lungs. The American review of respiratory disease, Volume: 118, Issue: 6	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A comparison of the duration of action of fenoterol and salbutamol in asthma. Current medical research and opinion, Volume: 7, Issue: 6	1981
A comparison between fenoterol/ipratropium bromide combinations and salbutamol administered as nebulizer solutions assessing dose-response and duration of action. Pharmatherapeutica, Volume: 4, Issue: 7	1986
[Onset of action and maximum effect of bronchodilators administered by a metered dose inhaler. Clinical investigations with fenoterol, hexoprenaline, ipratropium bromide, isoprenaline, orciprenaline, salbutamol and terbutaline (author's transl)]. Wiener klinische Wochenschrift, Oct-29, Volume: 88, Issue: 20	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Highly predictive and interpretable models for PAMPA permeability. Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue: 3	2017
Development and validation of a sensitive LC-MS/MS method for the determination of fenoterol in human plasma and urine samples. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Aug-15, Volume: 933	2013
The stereoselective sulfate conjugation of 4'-methoxyfenoterol stereoisomers by sulfotransferase enzymes. Chirality, Volume: 24, Issue: 10	2012
Prediction of drug intestinal absorption by new linear and non-linear QSPR. European journal of medicinal chemistry, Volume: 46, Issue: 1	2011
QSAR model for drug human oral bioavailability. Journal of medicinal chemistry, Jun-29, Volume: 43, Issue: 13	2000
Deposition of fenoterol from pressurized metered dose inhalers containing hydrofluoroalkanes. The Journal of allergy and clinical immunology, Volume: 104, Issue: 6	1999
Pharmacokinetics of beta2-sympathomimetics at the example of fenoterol and conclusion for the administration. Wiadomosci lekarskie (Warsaw, Poland : 1960), Volume: 51, Issue: 1-2	1998
Determination of bioavailability on the basis of tachycardia after intravenous and oral administration of fenoterol, orciprenaline and salbutamol in non-anaesthetized rats. Arzneimittel-Forschung, Volume: 35, Issue: 1A	1985
Pharmacokinetic/pharmacodynamic characteristics of the beta-2-agonists terbutaline, salbutamol and fenoterol. International journal of clinical pharmacology, therapy, and toxicology, Volume: 30, Issue: 9	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

berotek

Description

Cross-References

Synonyms (94)

Roles (4)

Drug Classes (3)

Protein Targets (9)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (54)

Molecular Functions (16)

Ceullar Components (20)

Bioassays (107)

Research

Studies (1,631)

Study Types

Research Highlights

Safety/Toxicity (19)

Long-term Use (9)

Pharmacokinetics (28)

Onset of Action (3)

Bioavailability (9)

Dosage (117)

Interactions (6)

Article	Year
Beta2-adrenergic agonist use and the risk of multiple sclerosis: a total population-based case-control study. Multiple sclerosis (Houndmills, Basingstoke, England), Volume: 20, Issue: 12	2014
[Effectiveness and safety of atosiban vs. pulsatile administration of fenoterol in the treatment of preterm labour]. Zeitschrift fur Geburtshilfe und Neonatologie, Volume: 213, Issue: 5	2009
Diagnosis, treatment, observation and outcome of fetal supraventricular tachycardia in a twin pregnancy. Fetal diagnosis and therapy, Volume: 24, Issue: 4	2008
Effects of short-acting bronchodilators added to maintenance tiotropium therapy. Chest, Volume: 132, Issue: 5	2007
A review of ipratropium bromide/fenoterol hydrobromide (Berodual) delivered via Respimat Soft Mist Inhaler in patients with asthma and chronic obstructive pulmonary disease. Drugs, Volume: 64, Issue: 15	2004
Improved delivery of ipratropium bromide/fenoterol from Respimat Soft Mist Inhaler in patients with COPD. Respiratory medicine, Volume: 98, Issue: 5	2004
Efficacy and safety of ipratropium bromide plus fenoterol inhaled via Respimat Soft Mist Inhaler vs. a conventional metered dose inhaler plus spacer in children with asthma. Pediatric pulmonology, Volume: 37, Issue: 3	2004
Beta 2-agonist administration reverses muscle wasting and improves muscle function in aged rats. The Journal of physiology, Feb-15, Volume: 555, Issue: Pt 1	2004
Fenoterol delivery by Respimat soft mist inhaler versus CFC metered dose inhaler: cumulative dose-response study in asthma patients. The Journal of asthma : official journal of the Association for the Care of Asthma, Volume: 40, Issue: 6	2003
Spectrophotometric determination of fenoterol hydrobromide in pure form and dosage forms. Farmaco (Societa chimica italiana : 1989), Volume: 58, Issue: 10	2003
Airway responsiveness and airway remodeling after chronic exposure to procaterol and fenoterol in guinea pigs in vivo. International archives of allergy and immunology, Volume: 129, Issue: 4	2002
Improved delivery of fenoterol plus ipratropium bromide using Respimat compared with a conventional metered dose inhaler. The European respiratory journal, Volume: 17, Issue: 2	2001
Voltammetric determination of isoxsuprine and fenoterol in dosage forms and biological fluids through nitrosation. Journal of pharmaceutical and biomedical analysis, Volume: 23, Issue: 6	2000
beta-agonistic bronchodilators: comparison of dose/response in working rat hearts. Chest, Volume: 117, Issue: 2	2000
[What dosage is sufficient in combined inhalation therapy (fenoterol + ipratropium bromide) in patients with exacerbation of chronic obstructive lung disease?]. Vnitrni lekarstvi, Volume: 44, Issue: 7	1998
Pharmacokinetics of beta2-sympathomimetics at the example of fenoterol and conclusion for the administration. Wiadomosci lekarskie (Warsaw, Poland : 1960), Volume: 51, Issue: 1-2	1998
Oral fenoterol versus sustained release theophylline in adult asthmatics. International journal of clinical pharmacology and therapeutics, Volume: 35, Issue: 1	1997
[Does lung maturation therapy with 16-methylene-prednisolone modify maternal infection parameters in threatened premature labor?]. Geburtshilfe und Frauenheilkunde, Volume: 56, Issue: 6	1996
Effects of prior treatment with salmeterol and formoterol on airway and systemic beta 2 responses to fenoterol. Thorax, Volume: 51, Issue: 6	1996
Pharmacokinetics and pharmacodynamics of beta 2-agonists (in the light of fenoterol). Respiration; international review of thoracic diseases, Volume: 62, Issue: 4	1995
Bronchodilator effects of oxitropium bromide, fenoterol, and their combination in normal subjects. Clinical autonomic research : official journal of the Clinical Autonomic Research Society, Volume: 3, Issue: 1	1993
Dose-effect relationship of the beta-agonists fenoterol and salbutamol in patients with asthma. Chest, Volume: 105, Issue: 6	1994
Chronic fenoterol exposure increases in vivo and in vitro airway responses in guinea pigs. American journal of respiratory and critical care medicine, Volume: 149, Issue: 4 Pt 1	1994
A cohort analysis of excess mortality in asthma and the use of inhaled beta-agonists. American journal of respiratory and critical care medicine, Volume: 149, Issue: 3 Pt 1	1994
Single dosing comparison of the relative cardiac beta 1/beta 2 activity of inhaled fenoterol and salbutamol in normal subjects. Thorax, Volume: 48, Issue: 6	1993
Comparative dose-response study of three anticholinergic agents and fenoterol using a metered dose inhaler in patients with chronic obstructive pulmonary disease. Thorax, Volume: 50, Issue: 1	1995
Comparison of the relative airways and systemic potencies of inhaled fenoterol and salbutamol in asthmatic patients. Thorax, Volume: 50, Issue: 1	1995
The effects of sympathomimetics on the cardiovascular system of sheep. Clinical and experimental pharmacology & physiology, Volume: 21, Issue: 10	1994
[Use of ipratropium bromide by inhalation in the treatment of acute asthma in children. Clinical experience]. Archives de pediatrie : organe officiel de la Societe francaise de pediatrie, Volume: 2 Suppl 2	1995
Dose-response study of fenoterol on uterine activity in labor at term. Gynecologic and obstetric investigation, Volume: 11, Issue: 4	1980
Dose-response study of oral fenoterol in asthmatic children. Developmental pharmacology and therapeutics, Volume: 1, Issue: 5	1980
Fenoterol hydrobromide (Berotec, Th 1165a) 0.1% solution in the treatment of allergic rhinitis. Annals of allergy, Volume: 44, Issue: 2	1980
[Investigations in animal experiments into the influence of the beta-1-selective blocking agent metoprolol on the cardiovascular and metabolic side effects of the tocolytic fenoterol]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 185, Issue: 6	1981
A comparison between aerosol and inhaled powder administration of fenoterol in adult asthmatics. The New Zealand medical journal, Dec-09, Volume: 94, Issue: 697	1981
Effect of aerosol and oral fenoterol on histamine and methacholine challenge in asthmatic subjects. Thorax, Volume: 36, Issue: 8	1981
[The cardiac hazard of tocolysis and antagonising possibilities. I. The haemodynamic situation of the patient during tocolysis/Protection of the myocardium by means of cardioselective beta-blockade. Experimental results (author's transl)]. Geburtshilfe und Frauenheilkunde, Volume: 42, Issue: 4	1982
[Clinical study of the labour inhibiting effects an side effects of acetylsalicylic acid (ASA) (author's transl)]. Geburtshilfe und Frauenheilkunde, Volume: 41, Issue: 2	1981
Dose-response characteristics of nebulized fenoterol in asthmatic children. The Journal of pediatrics, Volume: 103, Issue: 1	1983
Effects of inhaled fenoterol on the circadian rhythm of expiratory flow in allergic bronchial asthma. Chest, Volume: 83, Issue: 2	1983
[Occurrence of pulmonary oedemas without myocardial necroses under beta 2-sympathomimetic therapy with fenoterol (experimental investigations in the rabbit (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 184, Issue: 5	1980
A comparative double-blind study of the bronchodilator effects and side effects of inhaled fenoterol and terbutaline administered in equipotent doses. British journal of diseases of the chest, Volume: 76, Issue: 4	1982
Fenoterol dose-response study in children with asthma. The Journal of allergy and clinical immunology, Volume: 73, Issue: 3	1984
[Tocolysis with beta sympathomimetics alone or combined with the calcium antagonist verapamil? Influence of verapamil on the fetus]. Geburtshilfe und Frauenheilkunde, Volume: 43, Issue: 8	1983
[Tocolysis with beta sympathomimetics alone or combined with the calcium antagonist verapamil? I. Effect of verapamil on maternal cardiovascular parameters and the course of pregnancy]. Geburtshilfe und Frauenheilkunde, Volume: 43, Issue: 7	1983
Drug intake and plasma concentrations in acute asthma. Respiration; international review of thoracic diseases, Volume: 45, Issue: 4	1984
Pretreatment of exercise-induced asthma in adults with aerosols and pulverized tablets. Allergy, Volume: 35, Issue: 8	1980
[Cardiotoxic effect of the tocolytic agent fenoterol (partusisten) in the neonate (author's transl)]. MMW, Munchener medizinische Wochenschrift, Jan-09, Volume: 123, Issue: 2	1981
Double-blind crossover study on the protective effect of fenoterol--administered by pressurized aerosol and in powder form--in allergen-induced asthma. Respiration; international review of thoracic diseases, Volume: 45, Issue: 3	1984
Double-blind pretreatment of exercise-induced asthma with sequential inhalations of fenoterol from an aerosol and as a powder (second of two parts). European journal of respiratory diseases. Supplement, Volume: 130	1983
A dose-response study on fenoterol (Berotec) solution by inhalation in asthmatic children. Developmental pharmacology and therapeutics, Volume: 6, Issue: 6	1983
The anti-allergic effect of the beta 2-adrenergic agent fenoterol in the nose. European journal of respiratory diseases. Supplement, Volume: 128 (Pt 1)	1983
Drug effect on bronchial response to PGF2 alpha and water inhalation. European journal of respiratory diseases. Supplement, Volume: 128 (Pt 1)	1983
A dose-response and duration of action assessment of a combined preparation of fenoterol and ipratropium bromide (Duovent). Postgraduate medical journal, Volume: 60 Suppl 1	1984
Inhibition of IgE-mediated histamine release from human basophils and mast cells by fenoterol. International archives of allergy and applied immunology, Volume: 74, Issue: 4	1984
Dispersed human lung mast cells. Pharmacologic aspects and comparison with human lung tissue fragments. The American review of respiratory disease, Volume: 126, Issue: 6	1982
[Dosage related effect of fenoterol on fetal hemoglobin oxygen affinity (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 184, Issue: 1	1980
Repairability of drug-induced "wavy ribs" in rat offspring. Arzneimittel-Forschung, Volume: 32, Issue: 12	1982
Does the administration of the calcium-antagonist verapamil in tocolysis with beta-sympathicomimetics still make sense? Journal of perinatal medicine, Volume: 9, Issue: 5	1981
Cardiac effects of fenoterol hydrobromide on newborn versus adult rats. Arzneimittel-Forschung, Volume: 35, Issue: 1A	1985
[Effect of the oral beta-mimetic drug clenbuterol (Contraspasmin, Spiropent) and orally and intravenously administered Partusisten on the rheobase]. Zentralblatt fur Gynakologie, Volume: 107, Issue: 11	1985
[Analysis of the correlation between the dose-response curve for prostaglandin F2alpha and the progress of pregnancy, cervix ripening, pharmacologic estrogen premedication and Partusisten administration in prostaglandin-induced labor]. Zentralblatt fur Gynakologie, Volume: 107, Issue: 2	1985
Effects of inhaled oxitropium and fenoterol, alone and in combination, in chronic airflow obstruction. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Oxitropium bromide. Dose-response and time-response study of a new anticholinergic bronchodilator drug. Chest, Volume: 89, Issue: 2	1986
Fenoterol solution via nebuliser--optimum dosage. European journal of respiratory diseases, Volume: 71, Issue: 5	1987
Interaction between fenoterol, ipratropium, and acetylcholine on human isolated bronchus. The Journal of allergy and clinical immunology, Volume: 82, Issue: 1	1988
[Anticholinergics as bronchodilators. An action profile]. Arzneimittel-Forschung, Volume: 37, Issue: 10	1987
Comparison between fenoterol/ipratropium bromide combinations and salbutamol administered as nebulizer solution assessing dose-response and duration of action. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Comparison of two aerosols containing both fenoterol and ipratropium in a high (Duovent) and low (Berodual) concentration, respectively. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Exercise-induced asthma (EIA): its prevention with the combined use of ipratropium bromide and fenoterol. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Controlled clinical study of a long-term treatment of chronic obstructive lung disease using a combination of fenoterol and ipratropium bromide in aerosol form. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
The combination of fenoterol and ipratropium bromide in bronchial asthma: comparison of the acute effects of two different dosages. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Acute controlled study of the dose-response relationship of fenoterol, ipratropium bromide and their combination. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
Dose-response relationship: fenoterol, ipratropium bromide and their combination. Respiration; international review of thoracic diseases, Volume: 50 Suppl 2	1986
A comparison between fenoterol/ipratropium bromide combinations and salbutamol administered as nebulizer solutions assessing dose-response and duration of action. Pharmatherapeutica, Volume: 4, Issue: 7	1986
Clinical experience with a bronchospasmolytic aerosol combination. Zeitschrift fur Erkrankungen der Atmungsorgane, Volume: 166, Issue: 1	1986
Pronounced facilitation of endogenous noradrenaline release by presynaptic beta 2-adrenoceptors in the vasculature of freely moving rats. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 338, Issue: 3	1988
Hypokalaemia and other non-bronchial effects of inhaled fenoterol and salbutamol: a placebo-controlled dose-response study in healthy volunteers. British journal of clinical pharmacology, Volume: 24, Issue: 5	1987
Controlled trial of oral fenoterol in the treatment of childhood asthma. Annals of allergy, Volume: 63, Issue: 1	1989
Bolus tocolysis: treatment of preterm labor with pulsatile administration of a beta-adrenergic agonist. American journal of obstetrics and gynecology, Volume: 160, Issue: 3	1989
The effect of anticholinergic and beta-agonist pretreatment on bronchoconstriction induced by N-formyl-methionyl-leucyl-phenylalanine. The European respiratory journal, Volume: 2, Issue: 10	1989
Comparison of a combination of fenoterol with ipratropium bromide (Duovent) and salbutamol in young adults with nocturnal asthma. Respiration; international review of thoracic diseases, Volume: 55, Issue: 3	1989
[Cardiac tolerance of a beta-2-sympathomimetic spray: fenoterol. Apropos of 37 patients followed using a Holter monitor during a brief treatment protocol]. Revue des maladies respiratoires, Volume: 2, Issue: 4	1985
Dose-response effects and time course of effects of inhaled fenoterol on respiratory mechanics and arterial oxygen tension in mechanically ventilated patients with chronic airflow obstruction. Intensive care medicine, Volume: 16, Issue: 2	1990
Dissociation constants and relative efficacies estimated from the functional antagonism of beta-adrenoceptor agonists on transmural stimulation in rat vas deferens. European journal of pharmacology, Nov-27, Volume: 191, Issue: 2	1990
Comparison of bronchodilatation produced by an anticholinergic (ipratropium bromide), a beta-2 adrenergic (fenoterol) and their combination in patients with chronic obstructive airway disease. An open trial. The Journal of the Association of Physicians of India, Volume: 39, Issue: 9	1991
The assessment of the behavioural teratogenic risk of the tocolytic drug phenoterol. Homeostasis in health and disease : international journal devoted to integrative brain functions and homeostatic systems, Volume: 33, Issue: 1-2	1991
Comparison of isotachophoresis, capillary zone electrophoresis and high-performance liquid chromatography for the determination of salbutamol, terbutaline sulphate and fenoterol hydrobromide in pharmaceutical dosage forms. Journal of chromatography, Jan-31, Volume: 590, Issue: 2	1992
Increased inhaled bronchodilator vs increased inhaled corticosteroid in the control of moderate asthma. Chest, Volume: 102, Issue: 6	1992
The protective effect of low-dose inhaled fenoterol against methacholine and exercise-induced bronchoconstriction in asthma: a dose-response study. The Journal of allergy and clinical immunology, Volume: 90, Issue: 5	1992
Metabolic effects of inhaled fenoterol in normal subjects. Chest, Volume: 102, Issue: 4	1992
Pharmacokinetic/pharmacodynamic characteristics of the beta-2-agonists terbutaline, salbutamol and fenoterol. International journal of clinical pharmacology, therapy, and toxicology, Volume: 30, Issue: 9	1992
Dysfunctional presynaptic alpha 2-adrenoceptors expose facilitatory beta 2-adrenoceptors in the vasculature of spontaneously hypertensive rats. European journal of pharmacology, Feb-11, Volume: 211, Issue: 2	1992
[Pharmacokinetic investigations of verapamil used as a concomitant drug in treatment of premature labor]. Ginekologia polska, Volume: 63, Issue: 4	1992
[In vitro responsiveness of fenoterol in fetal and maternal hearts (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 179, Issue: 1	1975
[Changes in maternal cardiovascular parameter during tocolysis and in the dorsal position shock syndrome (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 180, Issue: 5	1976
Cumulative dose-response curves for comparison of oral bronchodilating drugs. A study of salbutamol and fenoterol. Annals of allergy, Volume: 39, Issue: 5	1977
[The possible maternal risk of tocolytic therapy with fenoterol (partusisten) (author's transl)]. Geburtshilfe und Frauenheilkunde, Volume: 37, Issue: 8	1977
Comparison of the bronchodilator effects of oral therapy with fenoterol hydrobromide and ephedrine. Chest, Volume: 72, Issue: 3	1977
[Erythrocyte alteration in long standing labor inhibition with a beta-sympathicomimetic drug (Partusisten) (author's transl)]. Archives of gynecology, Nov-30, Volume: 226, Issue: 3	1978
[Newborn cardiotoxicity after tocolysis with fenoterolhydrobromide]. Padiatrie und Padologie, Volume: 14, Issue: 4	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Maternal and fetal side effects of tocolysis using transdermal nitroglycerin or intravenous fenoterol combined with magnesium sulfate. European journal of obstetrics, gynecology, and reproductive biology, Jan-10, Volume: 106, Issue: 1	2003
[Efficency of tocoylsis by fenoterol and fenoterol in combination with a beta-1-blocking compound (author's transl)]. Geburtshilfe und Frauenheilkunde, Volume: 40, Issue: 7	1980
The management of preterm labor with the calcium channel-blocking agent nifedipine combined with the beta-mimetic terbutaline. Drug intelligence & clinical pharmacy, Volume: 19, Issue: 5	1985
Hemodynamic effects of inhaled ipratropium bromide, alone and combined with an inhaled beta 2-agonist. The American review of respiratory disease, Volume: 132, Issue: 4	1985
[Behaviour of serum concentrations of glucose, immunoreactive insulin and potassium ions in newborns after long term or crash treatments with Partusisten or Partusisten in combination with Isoptin (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 180, Issue: 4	1976
[Cardiac effect of fenoterol alone or combined with Verapamil (author's transl)]. Zeitschrift fur Geburtshilfe und Perinatologie, Volume: 183, Issue: 5	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]