phenacetin profile

Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Pathways (3)

phenacetin is involved in 3 pathway(s), involving a total of 1715 unique proteins and 1559 unique compounds

ID Source	ID
PubMed CID	4754
CHEMBL ID	16073
CHEBI ID	8050
SCHEMBL ID	23280
SCHEMBL ID	20476396
MeSH ID	M0016487

Synonym
MLS002153862
BRD-K38323065-001-05-8
n-acetyl-p-phenetidine
acet-p-phenetidin
acetamide, n-(4-ethoxyphenyl)-
p-acetphenetidin
nsc-7651
p-acetophenetidide
pertonal
phenedina
n-(4-ethoxyphenyl)acetamide
4-ethoxyacetanilide
phenazetin
acetanilide, 4'-ethoxy-
wln: 2or dmv1
phenacet
4'-ethoxyacetanilide
pyraphen
kalmin
fenidina
phenacetine
phenin
acet-p-phenalide
p-ethoxyacetanilide
acetophenetin
aceto-4-phenetidine
fenina
phenidin
p-phenetidine, n-acetyl-
p-acetophenetide
nsc7651
phenacitin
p-acetophenetidine
acetophenetidine
phenodyne
KBIO1_000580
DIVK1C_000580
n-[4-(ethyloxy)phenyl]acetamide
AE-848/04969036
inchi=1/c10h13no2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7h,3h2,1-2h3,(h,11,12
SPECTRUM_000782
PRESTWICK2_000533
CHEBI:8050 ,
PRESTWICK_862
cas-62-44-2
NCGC00016281-01
n4e ,
IDI1_000580
BPBIO1_000601
phenaphen plus
citra-fort
hocophen
4-(acetylamino)phenetole
paracetophenetidin
pyrroxate
saridon
aceto-para-phenalide
acetic acid amide, n-(4-ethoxyphenyl)-
coriforte
achrocidin
edrisal
aceto-para-phenetidide
seranex
para-acetophenetidide
fenacetina
viden
daprisal
fortacyl
malex
sinedal
hjorton's powder
p-ethoxyanilid kyseliny octove [czech]
hsdb 3152
clistanol
anapac
commotional
para-acetphenetidin
contradouleur
bromo seltzer
pamprin
contradol
empiral
dasikon
dolostop
fenia
emprazil
coricidin
xaril
coryban-d
stellacyl
gewodin
veganine
fenacetin [czech]
para-phenacetin
super anahist
acetphenetidin
para-ethoxyacetanilide
codempiral
melaforte
1-acetyl-p-phenetidin
p-acetophenetidide (8ci)
thephorin a-c
emprazil-c
rcra waste number u187
fenacetina [inn-spanish]
buff-a-comp
paramette
acetamide, n-(4-ethoxyphenyl)- (9ci)
acetamide, n-(4-ethoxyphenol)-
brn 1869238
ai3-00783
paratodol
acetylphenetidin
melabon
para-acetophenetidine
phenacetinum
salgydal
robaxisal-ph
quadronal
sinutabs
epragen
ccris 496
sinutab
gelonida
sinubid
kafa
treupel
sanalgine
1-acetamido-4-ethoxybenzene
synalogos
tacol
tetracydin
phenazetina
dasin ch
helvagit
fiorinal
NCGC00091376-01
BIM-0051571.0001
AB00052135
n-(4-ethoxyphenyl)-acetamide
n-acetyl-4-ethoxyaniline
paracetophentidin
rcra waste no. u187
einecs 200-533-0
phenacetine [inn-french]
phenacetinum [inn-latin]
nsc 7651
n-acetyl-para-phenetidine
n-para-ethoxyphenylacetamide
PHENACETIN ,
62-44-2
acetophenetidin
C07591
DB03783
phenacetin (jan/inn)
D00569
phenacetin, 97%
NCGC00091376-02
NCGC00091376-04
NCGC00091376-05
NCGC00091376-03
KBIOSS_001262
KBIO2_001262
KBIO3_002268
KBIOGR_001089
KBIO2_006398
KBIO2_003830
SPBIO_002466
SPBIO_001979
NINDS_000580
SPECTRUM3_001404
PRESTWICK0_000533
PRESTWICK1_000533
SPECTRUM2_001940
SPECTRUM4_000515
SPECTRUM1500642
BSPBIO_000545
PRESTWICK3_000533
BSPBIO_003048
SPECTRUM5_001902
smr000752916
MLS001304971
STK011463
phenacetin, >=98.0% (hplc)
HMS2092E14
P1669
MLS002303055
AKOS000370201
CHEMBL16073
phenacetin melting point standard
HMS501M22
phenacetin-d5
HMS1569L07
HMS1921M21
NCGC00016281-06
A833774
HMS2096L07
NCGC00256345-01
dtxcid001116
dtxsid1021116 ,
tox21_302895
tox21_201926
NCGC00259475-01
nsc-757401
pharmakon1600-01500642
nsc757401
tox21_110347
HMS2234P11
CCG-39439
NCGC00016281-07
NCGC00016281-05
NCGC00016281-03
NCGC00016281-04
NCGC00016281-02
NCGC00016281-08
bdbm50420191
FT-0673664
fenacetin
phenacetin [usp:inn:jan]
er0cth01h9 ,
unii-er0cth01h9
p-ethoxyanilid kyseliny octove
FT-0631277
phenacetin [iarc]
phenacetin [inn]
phenacetin [usp-rs]
phenacetin [jan]
phenacetin [vandf]
phenacetin [mart.]
phenacetin [inci]
4-ethoxy-1-acetylaminobenzene
phenacetin [mi]
phenacetin [who-dd]
phenacetinum [hpus]
phenacetin [hsdb]
S2577
69323-74-6
HMS3373I02
gtpl7402
HY-B0476
SCHEMBL23280
tox21_110347_1
NCGC00016281-11
n-acetylphenetylamine
acetamide,n-(4-ethoxyphenyl)-
terracydin
4-ethoxy-acetanilide
asa compound
n-acetyl-p-ethoxyaniline
butigetic (salt/mix)
zactirin compound
p-acetophenetitide
4-ethoxy-acetanilid
acetanilide, p-ethoxy-
p-a-c compound (salt/mix)
AC-28909
AB00052135_10
AB00052135_11
mfcd00009094
SR-01000787183-2
sr-01000787183
SR-01000787183-3
phenacetin, united states pharmacopeia (usp) reference standard
phenacetin melting point standard, united states pharmacopeia (usp) reference standard
HMS3651N07
D84419
EN300-178258
phenacetin melting point standard, pharmaceutical secondary standard; certified reference material
phenacetin, vetec(tm) reagent grade, 98%
phenacetin 1.0 mg/ml in acetonitrile
SBI-0051571.P002
HMS3713L07
SW196989-3
SCHEMBL20476396
Q419175
BCP09084
BRD-K38323065-001-09-0
HMS3884H10
n-(4-ethoxyphenyl)ethanamide
acetophenetidine acetophenidin acetylphenetidine phenacetin
40674-52-0
phenacetin (136 degrees c) melting point standard
CS-0694917
phenacetin (standard)
HY-B0476R
phenacetin-d3
acetamide, n-[4-(ethoxy-1-13c)phenyl]-
Z27807932
4'ethoxyacetanilide
p-phenetidine, n-acetyl
n-(4-ethoxyphenol)acetamide
acetic acid, amide, n(4-ethoxyphenyl)-
para-acetophenetide
phenacetin (mart.)
n02be03
phenacetin (usp-rs)
para-ethoxy-acetanilid
para-acetophenetidin
fenedina
n-para-ethoxyphenyl-acetamide
para acetylphenetidin
acet-para-phenalide
phenacetin (iarc)
4-ethoxy acetanilide
acetanilide,4'-ethoxy-
phenacetin (p-acetophenetidide)
phenacetin (p-acetophenetidide), 1mg/ml in methanol

Excerpt	Reference
"Phenacetin is an analgesic that causes renal diseases and cancers of the upper-urinary tract (UUT). "	( Antoni, S; Ferlay, J; Forman, D; Moore, S; Sitas, F; Smith, DP; Soerjomataram, I, 2014)
"Phenacetin is a common analgesic, anti-arthritic and anti-rheumatic drug. "	( Xiao, M; Zhang, Y, 2016)
"Phenacetin is a pharmaceutical closely related to acetaminophen that has been banned in France for a long time due to its nephritic and carcinogenic adverse effects. "	( Besacier, F; Dujourdy, L; Jame, P; Ladroue, V, 2017)
"Phenacetin is an aromatic amide with N-hydroxylated metabolites, closely related to known carcinogenic amines like the naphthylamines which earlier caused occupational bladder cancer."	( Angervall, L; Bengtsson, U; Johansson, S, 1978)
"Phenacetin is an N-acetylated secondary amine; chloroquine and primaquine are secondary amines; methadone and chlorpromazine are tertiary amines; and chloroquine is also a tertiary amine."	( Akintonwa, DA, 1985)

Excerpt	Reference
"Phenacetin has been considered as hepatotoxic at high therapeutic amounts, which is why it was chosen as a model to prove the applicability of the analytical method."	( Akoka, S; Boujtita, M; Bussy, U; Ferchaud-Roucher, V; Giraudeau, P; Jaunet-Lahary, T; Krempf, M; Silvestre, V; Tea, I, 2013)
"Phenacetin has been used as an analgesic antipyretic but has now been withdrawn from the market due to adverse effects such as methemoglobinemia and renal failure. "	( Fukami, T; Higuchi, R; Kobayashi, Y; Nakajima, M; Yokoi, T, 2012)

Excerpt	Reference
"Phenacetin displays two peaks at 60% ethanol in ethyl acetate (23.30 MPa(1/2)) and 90% ethanol in water (delta(1) = 28.64 MPa(1/2))."	( Bustamante, P; Escalera, B; Peña, MA; Reíllo, A; Sánchez, AB, 2009)
"Phenacetin displays two solubility maxima, at delta1=25.71 (ethanol-water) and at delta1=23.30 (ethyl acetate-ethanol)."	( Bustamante, P; Escalera, B; Peña, MA; Reíllo, A, 2006)
"Phenacetin appeared to enhance the development of renal pelvic tumors in FANFT-induced urinary tract carcinogenesis."	( Anderström, C; Johansson, SL; von Schultz, L, 1983)

Excerpt	Reference
"Phenacetin treatments induced significant changes of various hematological parameters (including hemoglobin and reticulocytes), some organ weights (including liver and spleen), and some hematology-related pathological parameters in the liver, spleen and bone marrow."	( Danbayashi, K; Higuchi, T; Iwai, A; Jinno, F; Kandori, H; Kitaura, H; Mori, K; Nakai, K; Nitta, SI; Ohtsuka, H; Saito, K; Saito, Y; Takahashi, K, 2022)
"Phenacetin pretreatment (597 mg/kg) was less effective, while paracetamol (503 mg/kg) was without effect in this regard."	( Arnold, L; Collins, C; Starmer, GA, 1976)
"treatment with phenacetin (rats and dogs: 200 mg/kg; humans: three single doses of 0.5 g)."	( Dittmann, B; Renner, G, 1977)

Role	Description
non-narcotic analgesic	A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
peripheral nervous system drug	A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system.
cyclooxygenase 3 inhibitor	A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 3.
[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
acetamides	Compounds with the general formula RNHC(=O)CH3.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
[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]

Pathway	Proteins	Compounds
Metabolism	1496	1108
Biological oxidations	150	276
Phase I - Functionalization of compounds	69	175

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	12.5893	0.0040	23.8416	100.0000	AID485290
TDP1 protein	Homo sapiens (human)	Potency	4.1095	0.0008	11.3822	44.6684	AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	18.1160	0.0007	14.5928	83.7951	AID1259369; AID1259392
Smad3	Homo sapiens (human)	Potency	3.9811	0.0052	7.8098	29.0929	AID588855
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	55.3905	0.0010	22.6508	76.6163	AID1224838; AID1224893
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	11.7056	0.0002	14.3764	60.0339	AID588532; AID720691
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	68.5896	0.0030	41.6115	22,387.1992	AID1159552
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	51.5202	0.0015	30.6073	15,848.9004	AID1224848; AID1224849
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	13.2225	0.0002	29.3054	16,493.5996	AID743069
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	50.1187	0.0010	19.4141	70.9645	AID588537
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	36.4132	0.0007	23.0674	1,258.9301	AID743122
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	76.9588	0.0017	23.8393	78.1014	AID743083
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	100.0000	0.3548	28.0659	89.1251	AID504847
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.0018	0.0100	39.5371	1,122.0200	AID588547
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	54.0464	0.0006	27.2152	1,122.0200	AID651741; AID743219
geminin	Homo sapiens (human)	Potency	0.5623	0.0046	11.3741	33.4983	AID624297
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	8.9125	0.2512	15.8432	39.8107	AID504327
lamin isoform A-delta10	Homo sapiens (human)	Potency	14.1254	0.8913	12.0676	28.1838	AID1487
ATPase family AAA domain-containing protein 5	Homo sapiens (human)	Potency	61.1306	0.0119	17.9420	71.5630	AID651632
Ataxin-2	Homo sapiens (human)	Potency	61.1306	0.0119	12.2221	68.7989	AID651632
[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)
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
Solute carrier family 22 member 6	Rattus norvegicus (Norway rat)	Ki	488.0000	1.6000	5.7440	10.0000	AID681340
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	134.0000	0.1100	7.1903	10.0000	AID1443980; AID1473738
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	0.0287	0.0001	1.7740	10.0000	AID1862573; AID1884501
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0000	2.8005	10.0000	AID1210069
UDP-glucuronosyltransferase 2B7	Homo sapiens (human)	IC50 (µMol)	300.0000	0.1000	2.5000	4.9000	AID1802994
UDP-glucuronosyltransferase 1-6	Homo sapiens (human)	IC50 (µMol)	300.0000	4.9000	4.9000	4.9000	AID1802994
UDP-glucuronosyltransferase 1A1	Homo sapiens (human)	IC50 (µMol)	300.0000	0.3000	3.2580	7.3000	AID1802994
UDP-glucuronosyltransferase 1A4	Homo sapiens (human)	IC50 (µMol)	300.0000	4.7200	4.8100	4.9000	AID1802994
UDP-glucuronosyltransferase 2B10	Homo sapiens (human)	IC50 (µMol)	300.0000	4.9000	4.9000	4.9000	AID1802994
Cytochrome P450 2J2	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0120	2.5312	9.4700	AID1210069
Solute carrier family 22 member 6	Homo sapiens (human)	IC50 (µMol)	200.0000	0.2700	4.5306	9.9000	AID681160
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
Multidrug and toxin extrusion protein 1	Homo sapiens (human)	IC50 (µMol)	500.0000	0.0100	2.7656	10.0000	AID721754
[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)
Cytochrome P450 1A2	Rattus norvegicus (Norway rat)	Km	16.0500	4.7000	4.7000	4.7000	AID1210877; AID1210878
Cytochrome P450 1A2	Rattus norvegicus (Norway rat)	KmH	8.7000	3.8000	3.8000	3.8000	AID1210864; AID1210871
Cytochrome P450 1A2	Homo sapiens (human)	Km	9.0000	5.0000	7.0000	9.0000	AID1209253
Arylacetamide deacetylase	Homo sapiens (human)	Km	2.3509	0.0018	2.3509	4.7000	AID1210878; AID1210916
Arylacetamide deacetylase	Mus musculus (house mouse)	Km	8.0268	0.0016	1.5691	4.7000	AID1210877; AID1210878; AID1210926; AID1210936
Arylacetamide deacetylase	Rattus norvegicus (Norway rat)	Km	0.0058	0.0058	0.0058	0.0058	AID1210926
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
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)
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
lipid metabolic process	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
xenobiotic metabolic process	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
androgen metabolic process	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
estrogen metabolic process	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
cellular glucuronidation	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
xenobiotic metabolic process	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
cellular glucuronidation	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
liver development	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
bilirubin conjugation	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
xenobiotic metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
acute-phase response	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
response to nutrient	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
steroid metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
estrogen metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
animal organ regeneration	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
response to lipopolysaccharide	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
retinoic acid metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
response to starvation	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
negative regulation of steroid metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
flavone metabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
cellular glucuronidation	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
flavonoid glucuronidation	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
xenobiotic glucuronidation	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
biphenyl catabolic process	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
cellular response to ethanol	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
cellular response to glucocorticoid stimulus	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
cellular response to estradiol stimulus	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
bilirubin conjugation	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
heme catabolic process	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
cellular glucuronidation	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
vitamin D3 metabolic process	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
lipid metabolic process	Arylacetamide deacetylase	Homo sapiens (human)
xenobiotic metabolic process	Arylacetamide deacetylase	Homo sapiens (human)
positive regulation of triglyceride catabolic process	Arylacetamide deacetylase	Homo sapiens (human)
lipid metabolic process	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
cellular glucuronidation	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
estrogen metabolic process	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
fatty acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
icosanoid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
regulation of heart contraction	Cytochrome P450 2J2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
organic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
monoatomic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
response to organic cyclic compound	Solute carrier family 22 member 6	Homo sapiens (human)
inorganic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
organic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 6	Homo sapiens (human)
alpha-ketoglutarate transport	Solute carrier family 22 member 6	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 6	Homo sapiens (human)
sodium-independent organic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
transmembrane transport	Solute carrier family 22 member 6	Homo sapiens (human)
metanephric proximal tubule development	Solute carrier family 22 member 6	Homo sapiens (human)
renal tubular secretion	Solute carrier family 22 member 6	Homo sapiens (human)
xenobiotic metabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of gene expression	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bile acid and bile salt transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
heme catabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic export from cell	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transepithelial transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
leukotriene transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
monoatomic anion transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
organic cation transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
putrescine transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
xenobiotic transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
thiamine transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
amino acid import across plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-arginine import across plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-alpha-amino acid transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
proton transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-arginine transmembrane transport	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
xenobiotic detoxification by transmembrane export across the plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
cell population proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of B cell proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nuclear DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
signal transduction in response to DNA damage	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
isotype switching	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of isotype switching to IgG isotypes	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloading	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
regulation of mitotic cell cycle phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of cell cycle G2/M phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
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)
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C9	Homo sapiens (human)
retinoic acid binding	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
glucuronosyltransferase activity	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
retinoic acid binding	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
glucuronosyltransferase activity	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
enzyme binding	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
protein homodimerization activity	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
protein heterodimerization activity	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
retinoic acid binding	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
enzyme inhibitor activity	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
steroid binding	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
glucuronosyltransferase activity	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
enzyme binding	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
protein homodimerization activity	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
protein heterodimerization activity	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
retinoic acid binding	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
glucuronosyltransferase activity	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
enzyme binding	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
protein homodimerization activity	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
protein heterodimerization activity	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
catalytic activity	Arylacetamide deacetylase	Homo sapiens (human)
triglyceride lipase activity	Arylacetamide deacetylase	Homo sapiens (human)
protein binding	Arylacetamide deacetylase	Homo sapiens (human)
lipase activity	Arylacetamide deacetylase	Homo sapiens (human)
serine hydrolase activity	Arylacetamide deacetylase	Homo sapiens (human)
deacetylase activity	Arylacetamide deacetylase	Homo sapiens (human)
glucuronosyltransferase activity	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
UDP-glycosyltransferase activity	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
iron ion binding	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
hydroperoxy icosatetraenoate isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 5,6-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
heme binding	Cytochrome P450 2J2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2J2	Homo sapiens (human)
solute:inorganic anion antiporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
protein binding	Solute carrier family 22 member 6	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
alpha-ketoglutarate transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
antiporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
chloride ion binding	Solute carrier family 22 member 6	Homo sapiens (human)
identical protein binding	Solute carrier family 22 member 6	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
sodium-independent organic anion transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
protein binding	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
organic cation transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
thiamine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
antiporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
putrescine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-arginine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
polyspecific organic cation:proton antiporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
protein binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP hydrolysis activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloader activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
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)
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
endoplasmic reticulum membrane	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
membrane	UDP-glucuronosyltransferase 2B7	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
endoplasmic reticulum membrane	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
intracellular membrane-bounded organelle	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1-6	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
endoplasmic reticulum membrane	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
plasma membrane	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
perinuclear region of cytoplasm	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
endoplasmic reticulum chaperone complex	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
cytochrome complex	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1A1	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
endoplasmic reticulum membrane	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
endoplasmic reticulum	UDP-glucuronosyltransferase 1A4	Homo sapiens (human)
endoplasmic reticulum membrane	Arylacetamide deacetylase	Homo sapiens (human)
endoplasmic reticulum membrane	Arylacetamide deacetylase	Homo sapiens (human)
endoplasmic reticulum membrane	UDP-glucuronosyltransferase 2B10	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2J2	Homo sapiens (human)
extracellular exosome	Cytochrome P450 2J2	Homo sapiens (human)
cytoplasm	Cytochrome P450 2J2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2J2	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
caveola	Solute carrier family 22 member 6	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
extracellular exosome	Solute carrier family 22 member 6	Homo sapiens (human)
protein-containing complex	Solute carrier family 22 member 6	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
basolateral plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
apical plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
Elg1 RFC-like complex	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nucleus	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (201)

Assay ID	Title	Year	Journal	Article
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	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.
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.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical 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.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID1756363	Metabolic stability in rat hepatocytes assessed as intrinsic clearance incubated up to 120 mins measured per million cells by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Mar-05, Volume: 213	Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis.
AID1210871	Activity of rat recombinant CYP1A2 expressed in Escherichia coli assessed as enzyme-mediated O-deethylation after 7.5 mins by Michaelis-Menten equation analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1210929	Activity of AADAC in rat kidney microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1209255	Drug metabolism in assessed as human CYP1A2-mediated intrinsic clearance per mg protein	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
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.
AID1210870	Drug metabolism in human liver microsomes assessed as enzyme-mediated O-deethylation incubated for 5 mins prior to NADPH addition measured after 25 mins by Michaelis-Menten equation analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID257050	Inhibition of recombinant human AKR1C3 at 50 uM	2005	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 15, Issue:23	Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents.
AID1292837	Drug metabolism in human assessed as de-alkylation to paracetamol	1980	British journal of clinical pharmacology, Oct, Volume: 10 Suppl 2	Kinetics and metabolism of paracetamol and phenacetin.
AID1209248	Drug metabolism in human liver microsomes assessed as intrinsic clearance per mg protein by optimal design approach	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1209256	Drug metabolism in assessed as human CYP1A2-mediated maximum rate of reaction per mg protein	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1210877	Activity of rat recombinant CYP1A2 expressed in Escherichia coli assessed as enzyme-mediated O-deethylation after 7.5 mins by Eadie-Hoftsee plot analysis in presence of fatty acid mixture	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
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.
AID1211796	Intrinsic clearance in cryopreserved human HepaRG cells assessed per 10'6 cells by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
AID1211794	Fraction unbound in blood (not specified)	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
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.
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.
AID592682	Apparent permeability from apical to basolateral side of human Caco2 cells after 2 hrs by LC/MS/MS analysis	2011	Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8	QSAR-based permeability model for drug-like compounds.
AID1212282	Ratio of Km for CYP1A1 (unknown origin) expressed in Escherichia coli DH5alpha to Km for CYP1A2 (unknown origin) expressed in Escherichia coli DH5alpha	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Preferred binding orientations of phenacetin in CYP1A1 and CYP1A2 are associated with isoform-selective metabolism.
AID1210938	Activity of AADAC in mouse jejunum microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1739433	Metabolic stability in human liver microsomes assessed as half life at 100 uM measured upto 30 mins	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Substituted benzothiophene and benzofuran derivatives as a novel class of bone morphogenetic Protein-2 upregulators: Synthesis, anti-osteoporosis efficacies in ovariectomized rats and a zebrafish model, and ADME properties.
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]
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1210918	Activity of AADAC in human jejunum microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID721754	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID1211795	Dissociation constant, pKa of the compound	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID699541	Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1212281	Ratio of Kcat for CYP1A2 (unknown origin) expressed in Escherichia coli DH5alpha to Kcat for CYP1A1 (unknown origin) expressed in Escherichia coli DH5alpha	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Preferred binding orientations of phenacetin in CYP1A1 and CYP1A2 are associated with isoform-selective metabolism.
AID1210894	Intrinsic clearance in human Liver microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
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.
AID588209	Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset	2010	Chemical research in toxicology, Jul-19, Volume: 23, Issue:7	Developing structure-activity relationships for the prediction of hepatotoxicity.
AID1210867	Binding affinity to rat recombinant CYP1A2 expressed in Escherichia coli assessed as fraction unbound by equilibrium dialysis method in presence of BSA	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
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.
AID1209258	Drug metabolism in human liver microsomes assessed as maximum rate of reaction per mg protein by multiple depletion curves method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1210926	Activity of rat recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
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.
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.
AID1739434	Metabolic stability in human liver microsomes assessed as intrinsic clearance at 100 uM measured per mg protein upto 30 mins	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Substituted benzothiophene and benzofuran derivatives as a novel class of bone morphogenetic Protein-2 upregulators: Synthesis, anti-osteoporosis efficacies in ovariectomized rats and a zebrafish model, and ADME properties.
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.
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.
AID1210880	Hepatic clearance in healthy human at 250 mg, iv	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1210915	Activity of AADAC in human lung microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210899	Intrinsic clearance in rat jejunum microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID625295	Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in Pfizer data	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1210889	Ratio Vmax to Km in mouse recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210883	Drug metabolism in human liver microsomes assessed as retention time at 2 to 2000 uM incubated for 5 mins prior to NADPH addition measured after 25 mins by HPLC analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1210919	Activity of AADAC in human kidney microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210931	Ratio Vmax to Km in rat recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210900	Intrinsic clearance in rat kidney microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1756362	Metabolic stability in rat hepatocytes assessed as half life measured upto 120 mins by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Mar-05, Volume: 213	Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis.
AID1210939	Activity of AADAC in mouse kidney microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID527494	Octanol-water partition coefficient, log P of the compound	2010	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 20, Issue:22	A practical deuterium-free NMR method for the rapid determination of 1-octanol/water partition coefficients of pharmaceutical agents.
AID1654581	Substrate activity at cytochrome p450 in phenobarbital-induced rat liver microsomes assessed as cytochrome p450-mediated-deethoxylation per mg of protein	2020	Journal of medicinal chemistry, 06-25, Volume: 63, Issue:12	Metabolic and Pharmaceutical Aspects of Fluorinated Compounds.
AID1756360	Metabolic stability in human hepatocytes assessed as clearance incubated up to 120 mins measured per million cells by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Mar-05, Volume: 213	Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis.
AID1210902	Intrinsic clearance in mouse Liver microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
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]
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]
AID1211798	Intrinsic clearance in human using well stirred liver model by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
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.
AID1210865	Drug metabolism in human liver microsomes assessed as enzyme-mediated O-deethylation incubated for 5 mins prior to NADPH addition measured after 25 mins by Michaelis-Menten equation analysis in presence of BSA	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID373867	Hepatic clearance in human hepatocytes in absence of fetal calf serum	2009	European journal of medicinal chemistry, Apr, Volume: 44, Issue:4	First-principle, structure-based prediction of hepatic metabolic clearance values in human.
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.
AID1210917	Activity of AADAC in human liver microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID527491	Octanol-water partition coefficient, log P of the compound by deuterium-free NMR method	2010	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 20, Issue:22	A practical deuterium-free NMR method for the rapid determination of 1-octanol/water partition coefficients of pharmaceutical agents.
AID1210888	Activity of AADAC in mouse lung microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210930	Activity of AADAC in rat lung microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID699539	Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID681340	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes	1999	Molecular pharmacology, May, Volume: 55, Issue:5	Transport properties of nonsteroidal anti-inflammatory drugs by organic anion transporter 1 expressed in Xenopus laevis oocytes.
AID1210920	Ratio Vmax to Km in human recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
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.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1210928	Activity of AADAC in rat jejunum microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1210876	Intrinsic clearance in healthy human at 250 mg, iv	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
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
AID1209259	Drug metabolism in human liver microsomes assessed as maximum rate of reaction per mg protein by optimal design approach	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
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.
AID1210895	Intrinsic clearance in human jejunum microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210869	Fraction unbound in human liver microsomes by equilibrium dialysis method in presence of BSA	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1209247	Drug metabolism in human liver microsomes assessed as intrinsic clearance per mg protein by multiple depletion curves method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1292891	Drug excretion in human urine assessed as unchanged parent compound level	1980	British journal of clinical pharmacology, Oct, Volume: 10 Suppl 2	Kinetics and metabolism of paracetamol and phenacetin.
AID681160	TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells	2000	The Journal of pharmacology and experimental therapeutics, Oct, Volume: 295, Issue:1	Nonsteroidal anti-inflammatory drugs efficiently reduce the transport and cytotoxicity of adefovir mediated by the human renal organic anion transporter 1.
AID1210866	Binding affinity to rat recombinant CYP1A2 expressed in Escherichia coli assessed as fraction unbound by equilibrium dialysis method	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1210864	Activity of rat recombinant CYP1A2 expressed in Escherichia coli assessed as enzyme-mediated O-deethylation after 7.5 mins by Michaelis-Menten equation analysis in presence of BSA	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1210898	Intrinsic clearance in rat Liver microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210878	Activity of rat recombinant CYP1A2 expressed in Escherichia coli assessed as enzyme-mediated O-deethylation after 7.5 mins by Eadie-Hoftsee plot analysis in presence of BSA and fatty acid mixture	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1862573	Inhibition of CYP1A2 (unknown origin)
AID1210937	Activity of AADAC in mouse liver microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID384955	Intrinsic aqueous solubility at pH 10 by shake-flask method	2008	Journal of medicinal chemistry, May-22, Volume: 51, Issue:10	Molecular characteristics for solid-state limited solubility.
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]
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.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1292838	Half life in human	1980	British journal of clinical pharmacology, Oct, Volume: 10 Suppl 2	Kinetics and metabolism of paracetamol and phenacetin.
AID1210069	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	2013	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 41, Issue:1	Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.
AID699540	Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1210936	Activity of mouse recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1884501	Inhibition of CYP1A2 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH	2022	European journal of medicinal chemistry, Aug-05, Volume: 238	Expansion of the S-CN-DABO scaffold to exploit the impact on inhibitory activities against the non-nucleoside HIV-1 reverse transcriptase.
AID1209251	Drug metabolism in human liver microsomes by optimal design approach	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1209253	Drug metabolism in assessed as human CYP1A2-mediated metabolism	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1211791	Fraction unbound in human hepatocytes	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
AID721753	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells at 20 uM after 1.5 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
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.
AID1209250	Drug metabolism in human liver microsomes by multiple depletion curves method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Optimized experimental design for the estimation of enzyme kinetic parameters: an experimental evaluation.
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.
AID1210927	Activity of AADAC in rat liver microsome	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210868	Fraction unbound in human liver microsomes by equilibrium dialysis method	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1210916	Activity of human recombinant AADAC	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210905	Intrinsic clearance in mouse lung microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210904	Intrinsic clearance in mouse kidney microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1211792	Hepatic clearance in human	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' 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.
AID1210896	Intrinsic clearance in human kidney microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID404304	Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control	2008	Journal of medicinal chemistry, Jun-12, Volume: 51, Issue:11	Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
AID1756359	Metabolic stability in human hepatocytes assessed as half life measured upto 120 mins by LC-MS/MS analysis	2021	European journal of medicinal chemistry, Mar-05, Volume: 213	Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis.
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.
AID1210901	Intrinsic clearance in rat lung microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210903	Intrinsic clearance in mouse jejunum microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
AID1210887	Stability of the compound assessed as retention time by HPLC analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 40, Issue:5	Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.
AID592683	Apparent permeability from basolateral side to apical side of human Caco2 cells by LC/MS/MS analysis	2011	Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8	QSAR-based permeability model for drug-like compounds.
AID19262	Aqueous solubility	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Prediction of drug solubility from Monte Carlo simulations.
AID1210897	Intrinsic clearance in human lung microsome at 0.05 to 4 mM	2012	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 40, Issue:4	Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.
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.
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.
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.
AID588210	Human drug-induced liver injury (DILI) modelling dataset from Ekins et al	2010	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12	A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1211797	Intrinsic clearance in cryopreserved human hepatocytes cells assessed per 10'6 cells by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID408486	Inhibition of recombinant Curvularia lunata trihydroxynaphthalene reductase	2008	Bioorganic & medicinal chemistry, Jun-01, Volume: 16, Issue:11	Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening.
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]
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.
AID1443980	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-tauroch	2010	Toxicological sciences : an official journal of the Society of Toxicology, Dec, Volume: 118, Issue:2	Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.
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.
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.
AID540237	Phospholipidosis-positive literature compound observed in rat
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.
AID1652309	Inhibition of human CYP1A2 at 10 uM	2020	Journal of medicinal chemistry, 07-09, Volume: 63, Issue:13	Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
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.
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.
AID1802994	UDP-glucuronosyltransferase Activity Assay from Article 10.3109/14756366.2010.518965: \\The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors.\\	2011	Journal of enzyme inhibition and medicinal chemistry, Jun, Volume: 26, Issue:3	The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1754 (78.73)	18.7374
1990's	154 (6.91)	18.2507
2000's	133 (5.97)	29.6817
2010's	149 (6.69)	24.3611
2020's	38 (1.71)	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	75 (3.16%)	5.53%
Reviews	135 (5.69%)	6.00%
Case Studies	119 (5.01%)	4.05%
Observational	0 (0.00%)	0.25%
Other	2,044 (86.14%)	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
acetaminophen	[no description available]	high	431	18	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
acetaminophen	[no description available]	high	431	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
acetaminophen sulfate ester	[no description available]	medium	3	0	acetamides; aryl sulfate	drug metabolite
acetaminophen glucuronide	[no description available]	medium	5	0	beta-D-glucosiduronic acid	drug metabolite
salicylic acid	[no description available]	medium	15	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
antipyrine	[no description available]	high	109	5	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
antipyrine	[no description available]	high	109	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
aspirin	[no description available]	high	533	41	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]	high	533	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
diclofenac	[no description available]	high	38	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
diflunisal	[no description available]	medium	11	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
flurbiprofen	[no description available]	high	13	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ibuprofen	[no description available]	high	28	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
indomethacin	[no description available]	high	44	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	16	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
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
oxyphenbutazone	[no description available]	high	16	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
phenylbutazone	[no description available]	high	92	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
tolmetin	[no description available]	medium	11	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tolmetin	[no description available]	medium	11	6	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
aminopyrine	[no description available]	high	123	2	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
aminopyrine	[no description available]	high	123	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
benzylamine	[no description available]	medium	1	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
salicylurate	[no description available]	medium	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
naproxen	[no description available]	high	21	1	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
naproxen	[no description available]	high	21	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
piroxicam	[no description available]	medium	14	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
ethylene dichloride	[no description available]	medium	3	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
acetamide	[no description available]	medium	2	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	4	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
benzaldehyde	[no description available]	medium	1	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzene	[no description available]	medium	5	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid	[no description available]	medium	2	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
propionaldehyde	[no description available]	medium	1	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
dibenzofuran	[no description available]	medium	1	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
cytosine	[no description available]	medium	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
alanine	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion	fundamental metabolite
hexachlorocyclohexane	[no description available]	medium	4	0	chlorocyclohexane
indole	[no description available]	medium	2	0	indole; polycyclic heteroarene	Escherichia coli metabolite
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
acetanilide	[no description available]	medium	29	0	acetamides; anilide	analgesic
naphthalene	[no description available]	medium	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
phenol	[no description available]	medium	3	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
1-propanol	[no description available]	medium	3	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
pyridine	[no description available]	medium	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
dimethyl sulfide	[no description available]	medium	1	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
succinic acid	[no description available]	medium	2	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
toluene	[no description available]	medium	4	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethylamine	[no description available]	medium	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
uracil	[no description available]	medium	4	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
phenytoin	[no description available]	medium	33	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
theophylline	[no description available]	medium	47	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
theophylline	[no description available]	medium	47	2	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
atrazine	[no description available]	medium	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
barbital	[no description available]	medium	5	0	barbiturates	drug allergen
benzamide	[no description available]	medium	4	0	benzamides
benzocaine	[no description available]	medium	7	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
bay h 4502	[no description available]	medium	4	0	biphenyls; imidazoles
bromazepam	[no description available]	medium	2	0	organic molecular entity
caffeine	[no description available]	medium	390	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
caffeine	[no description available]	medium	390	38	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
chlorpromazine	[no description available]	medium	38	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
4-cresol	[no description available]	medium	1	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
desipramine	[no description available]	medium	18	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
diazepam	[no description available]	medium	20	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
ddt	[no description available]	medium	6	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
ether	[no description available]	medium	3	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
fenbufen	[no description available]	medium	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
fluconazole	[no description available]	medium	8	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
lidocaine	[no description available]	medium	33	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
imipramine	[no description available]	medium	25	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indoprofen	[no description available]	medium	2	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2-propanol	[no description available]	medium	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
lorazepam	[no description available]	medium	6	0	benzodiazepine
nevirapine	[no description available]	medium	9	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nifedipine	[no description available]	medium	18	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
oxazepam	[no description available]	medium	10	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
perphenazine	[no description available]	medium	9	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenobarbital	[no description available]	medium	80	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	medium	80	5	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
procaine	[no description available]	high	14	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
promazine	[no description available]	medium	8	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
promazine	[no description available]	medium	8	1	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
thioridazine	[no description available]	medium	9	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
thioridazine	[no description available]	medium	9	1	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
trifluoperazine	[no description available]	medium	6	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	3	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
triflupromazine	[no description available]	medium	3	1	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
corticosterone	[no description available]	medium	4	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
prednisone	[no description available]	medium	12	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
chloramphenicol	[no description available]	medium	31	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aniline	[no description available]	medium	6	0	anilines; primary arylamine
mannitol	[no description available]	medium	7	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
4-toluenesulfonamide	[no description available]	medium	1	0	sulfonamide
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
nitromethane	[no description available]	medium	1	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
tert-butyl alcohol	[no description available]	medium	1	0	tertiary alcohol	human xenobiotic metabolite
methylethyl ketone	[no description available]	medium	1	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
trichloroethylene	[no description available]	medium	5	0	chloroethenes	inhalation anaesthetic; mouse metabolite
methyl acetate	[no description available]	medium	1	0	acetate ester; methyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent
nitroethane	[no description available]	medium	1	0	primary nitroalkane
fluorene	[no description available]	medium	1	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
hexamethylbenzene	[no description available]	medium	1	0	methylbenzene
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
diphenyl	[no description available]	medium	1	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
benzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	carcinogenic agent
methyl benzoate	[no description available]	medium	1	0	benzoate ester; methyl ester	insect attractant; metabolite
benzotrifluoride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; fluorohydrocarbon	environmental contaminant; NMR chemical shift reference compound; solvent
butylphen	[no description available]	medium	1	0	phenols	allergen
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
nitrobenzene	[no description available]	medium	3	0	nitroarene; nitrobenzenes
carvone	[no description available]	medium	1	0	botanical anti-fungal agent; carvones	allergen
benzonitrile	[no description available]	medium	1	0	benzenes; nitrile
anisole	[no description available]	medium	1	0	monomethoxybenzene	plant metabolite
4-chloroaniline	[no description available]	medium	1	0	chloroaniline; monochlorobenzenes
propionitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	polar aprotic solvent
bromobenzene	[no description available]	medium	3	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
chlorobenzene	[no description available]	medium	1	0	monochlorobenzenes	solvent
pentane	[no description available]	medium	1	0	alkane; volatile organic compound	non-polar solvent; refrigerant
dimethoxymethane	[no description available]	medium	1	0	acetal; diether
tetrahydrofuran	[no description available]	medium	1	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
furan	[no description available]	medium	2	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes	[no description available]	medium	3	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n-hexane	[no description available]	medium	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
cyclohexane	[no description available]	medium	1	0	cycloalkane; volatile organic compound	non-polar solvent
cyclohexene	[no description available]	medium	1	0	cycloalkene
morpholine	[no description available]	medium	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
ethyl-p-hydroxybenzoate	[no description available]	medium	3	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
3-nitrobenzoic acid	[no description available]	medium	1	0
2-naphthol	[no description available]	medium	5	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
ethyl acetate	[no description available]	medium	2	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
ephedrine	[no description available]	medium	17	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fluorobenzenes	[no description available]	medium	1	0	monofluorobenzenes	NMR chemical shift reference compound
4-chloroacetanilide	[no description available]	medium	4	0	acetamides; monochlorobenzenes
1-chloropropane	[no description available]	medium	1	0
2,3-dichlorophenol	[no description available]	medium	1	0
methyl butyrate	[no description available]	medium	1	0	fatty acid ester
decachlorobiphenyl	[no description available]	medium	1	0	pentachlorobenzenes; polychlorobiphenyl
desmedipham	[no description available]	medium	1	0	carbamate ester	agrochemical; environmental contaminant; herbicide; xenobiotic
menthone	[no description available]	medium	1	0	menthone
dimethylacetamide	[no description available]	medium	1	0	acetamides; monocarboxylic acid amide	human metabolite
pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
fenoxycarb	[no description available]	medium	1	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic
fenclofenac	[no description available]	medium	1	0	aromatic ether
camphora	[no description available]	medium	1	0	camphor
atropine	[no description available]	medium	20	0
(+)-limonene	[no description available]	medium	3	0	limonene	plant metabolite
griseofulvin	[no description available]	medium	8	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cocaine	[no description available]	medium	21	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
diethylstilbestrol	[no description available]	medium	9	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
sulindac	[no description available]	medium	11	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
dinoprostone	[no description available]	medium	6	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
codeine	[no description available]	medium	151	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
codeine	[no description available]	medium	151	21	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
morphine	[no description available]	medium	38	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
morphine	[no description available]	medium	38	3	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
nifuroxime	[no description available]	medium	2	0
nitrofurantoin	[no description available]	medium	16	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
warfarin	[no description available]	medium	36	0	benzenes; hydroxycoumarin; methyl ketone
guanine	[no description available]	medium	3	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allopurinol	[no description available]	medium	13	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
etodolac	[no description available]	medium	5	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
probenecid	[no description available]	medium	17	0	benzoic acids; sulfonamide	uricosuric drug
betamipron	[no description available]	medium	4	0	organonitrogen compound; organooxygen compound
benzoic anhydride	[no description available]	medium	1	0
4-methylbenzophenone	[no description available]	medium	1	0
3-phenoxybenzoic acid	[no description available]	medium	1	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
N-benzoylanthranilic acid	[no description available]	medium	1	0	amidobenzoic acid
4-methoxybenzophenone	[no description available]	medium	1	0
n-(2-carboxyphenyl)phenoxyacetamide	[no description available]	medium	1	0
diclofenac sodium	[no description available]	medium	2	0	organic sodium salt
quinacrine	[no description available]	high	8	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
bupropion	[no description available]	medium	18	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
3-methylcholanthrene	[no description available]	medium	23	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
tacrine	[no description available]	medium	9	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
amiodarone	[no description available]	medium	13	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	13	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
bicalutamide	[no description available]	medium	6	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
carbamazepine	[no description available]	high	18	1	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
carbamazepine	[no description available]	high	18	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
chlorcyclizine	[no description available]	medium	3	0	diarylmethane
chloroquine	[no description available]	medium	24	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
ciprofibrate	[no description available]	medium	8	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
citalopram	[no description available]	medium	9	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clofibrate	[no description available]	medium	8	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomipramine	[no description available]	medium	11	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
deferoxamine	[no description available]	medium	4	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
donepezil	[no description available]	medium	5	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxapram	[no description available]	medium	3	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
ethyl loflazepate	[no description available]	medium	4	0	organic molecular entity
felbamate	[no description available]	medium	5	0	carbamate ester	anticonvulsant; neuroprotective agent
fenfluramine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
fenofibrate	[no description available]	medium	9	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fluoxetine	[no description available]	medium	12	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flutamide	[no description available]	medium	13	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
gemfibrozil	[no description available]	medium	11	0	aromatic ether	antilipemic drug
homochlorocyclizine	[no description available]	medium	3	0	diarylmethane
hydroxyurea	[no description available]	medium	9	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
hydroxyzine	[no description available]	medium	9	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ketoconazole	[no description available]	medium	14	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
maprotiline	[no description available]	medium	10	0	anthracenes
meclizine	[no description available]	medium	3	0	diarylmethane
metformin	[no description available]	medium	11	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	10	0	benzenes; diarylmethane; ketone; tertiary amino compound
methapyrilene	[no description available]	medium	6	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
oxidopamine	[no description available]	medium	2	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
perhexiline	[no description available]	medium	8	0	piperidines	cardiovascular drug
suramin	[no description available]	medium	5	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
temozolomide	[no description available]	medium	6	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
tilorone	[no description available]	medium	5	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
pirinixic acid	[no description available]	medium	5	0	aryl sulfide; organochlorine compound; pyrimidines
carbon tetrachloride	[no description available]	medium	9	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
physostigmine	[no description available]	medium	8	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
ethinyl estradiol	[no description available]	medium	11	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
colchicine	[no description available]	medium	15	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
chloroform	[no description available]	medium	8	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
triparanol	[no description available]	medium	3	0	stilbenoid	anticoronaviral agent
cyclizine	[no description available]	medium	6	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
hydrazine	[no description available]	medium	7	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
norchlorcyclizine	[no description available]	medium	3	0
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	3	0	aromatic amine
cyproterone acetate	[no description available]	medium	5	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
chlorphentermine	[no description available]	medium	3	0	amphetamines
emetine	[no description available]	medium	7	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
1-naphthylisothiocyanate	[no description available]	medium	6	0	isothiocyanate	insecticide
erythromycin	[no description available]	medium	20	0	cyclic ketone; erythromycin
paraquat	[no description available]	medium	5	0	organic cation	geroprotector; herbicide
stavudine	[no description available]	medium	7	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
clomacran	[no description available]	medium	3	0	acridines
iprindole	[no description available]	medium	3	0	indoles
ethionine	[no description available]	medium	4	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
indoramin	[no description available]	medium	6	0	tryptamines
amineptin	[no description available]	medium	5	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
zidovudine	[no description available]	medium	14	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
tobramycin	[no description available]	medium	9	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
etoposide	[no description available]	medium	14	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
amikacin	[no description available]	medium	7	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
methyldopa	[no description available]	high	16	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
nonachlazine	[no description available]	medium	3	0
zileuton	[no description available]	medium	6	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
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	3	0	stilbenoid
synthalin a	[no description available]	medium	3	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
disobutamide	[no description available]	medium	3	0	acetamides
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	3	0
methotrexate	[no description available]	medium	15	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
glucosamine	[no description available]	medium	5	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
abacavir	[no description available]	medium	5	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
netilmicin	[no description available]	medium	6	0
clindamycin	[no description available]	medium	6	0
azaserine	[no description available]	medium	5	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
dibekacin	[no description available]	medium	4	0	kanamycins	antibacterial agent; protein synthesis inhibitor
thioacetamide	[no description available]	medium	4	0	thiocarboxamide	hepatotoxic agent
tamoxifen	[no description available]	medium	14	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
stilbamidine	[no description available]	medium	4	0
zimeldine	[no description available]	medium	3	0	styrenes
ceftazidime	[no description available]	medium	7	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
famotidine	[no description available]	medium	9	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
dantrolene	[no description available]	medium	3	0
gentamicin sulfate	[no description available]	medium	5	0
azacosterol	[no description available]	medium	3	0
hypoglycin a	[no description available]	medium	2	0	L-alpha-amino acid
amodiaquine hydrochloride	[no description available]	medium	7	0
valproate sodium	[no description available]	medium	2	0	organic sodium salt	geroprotector
chlortetracycline	[no description available]	medium	8	0
demeclocycline	[no description available]	medium	5	0
rolitetracycline	[no description available]	medium	5	0
rifampin	[no description available]	medium	15	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	12	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
alprazolam	[no description available]	medium	5	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	7	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amobarbital	[no description available]	medium	11	0	barbiturates
chlordiazepoxide	[no description available]	medium	12	0	benzodiazepine
chlorpropamide	[no description available]	medium	14	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
disopyramide	[no description available]	medium	8	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
furosemide	[no description available]	medium	21	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
glipizide	[no description available]	medium	7	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
labetalol	[no description available]	medium	11	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
metolazone	[no description available]	medium	5	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
omeprazole	[no description available]	high	26	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
phenazopyridine	[no description available]	medium	3	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
primaquine	[no description available]	high	14	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
propranolol	[no description available]	medium	21	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
secobarbital	[no description available]	medium	7	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
secobarbital	[no description available]	medium	7	1	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
triazolam	[no description available]	medium	5	0	triazolobenzodiazepine	sedative
delavirdine	[no description available]	medium	2	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
hydrocortisone acetate	[no description available]	medium	2	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	2	0	corticosteroid hormone
prednisolone acetate	[no description available]	medium	1	0	corticosteroid hormone
cyclobarbital	[no description available]	medium	3	0	barbiturates
triamcinolone diacetate	[no description available]	medium	2	0	corticosteroid hormone
betamethasone	[no description available]	medium	9	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
heptabarbital	[no description available]	medium	1	0	barbiturates
didesethylflurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound	anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative
alclofenac	[no description available]	high	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
triamcinolone	[no description available]	medium	6	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
trimazosin	[no description available]	medium	2	0	N-arylpiperazine
5,5-diphenylbarbituric acid	[no description available]	medium	1	0
epinastine	[no description available]	medium	1	0	corticosteroid hormone
almokalant	[no description available]	medium	1	0
alprostadil	[no description available]	medium	5	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
aminocaproic acid	[no description available]	medium	6	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
1-(3-chlorophenyl)piperazine	[no description available]	medium	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acebutolol	[no description available]	medium	5	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetazolamide	[no description available]	medium	9	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
albuterol	[no description available]	medium	5	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	2	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
amantadine	[no description available]	medium	8	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amlodipine	[no description available]	medium	6	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amsacrine	[no description available]	medium	3	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
atenolol	[no description available]	medium	9	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; 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
betaxolol	[no description available]	medium	3	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	1	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
biperiden	[no description available]	medium	1	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bisoprolol	[no description available]	medium	4	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromopride	[no description available]	medium	2	0	benzamides
brotizolam	[no description available]	medium	2	0	organic molecular entity
buflomedil	[no description available]	medium	1	0	aromatic ketone
bumetanide	[no description available]	medium	8	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bunazosin	[no description available]	medium	1	0	quinazolines
bupivacaine	[no description available]	medium	5	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
busulfan	[no description available]	medium	8	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
verapamil	[no description available]	high	14	0	aromatic ether; nitrile; polyether; tertiary amino compound
metrizoate	[no description available]	medium	2	0	monocarboxylic acid	radioopaque medium
carmustine	[no description available]	medium	6	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carvedilol	[no description available]	medium	6	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	5	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlorpheniramine	[no description available]	medium	8	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorthalidone	[no description available]	medium	4	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	2	0	diarylmethane
cimetidine	[no description available]	medium	22	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
ciprofloxacin	[no description available]	medium	6	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
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
clonidine	[no description available]	medium	9	1	clonidine; imidazoline
chlorazepate	[no description available]	medium	2	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
dapsone	[no description available]	medium	10	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
nordazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
amphetamine	[no description available]	medium	29	0	primary amine
amphetamine	[no description available]	medium	29	2	primary amine
diazoxide	[no description available]	medium	6	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
diphenhydramine	[no description available]	medium	12	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	9	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
domperidone	[no description available]	medium	6	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	2	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
doxepin	[no description available]	medium	4	0	dibenzooxepine; tertiary amino compound	antidepressant
dyphylline	[no description available]	medium	2	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	4	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
ethacrynic acid	[no description available]	medium	4	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
etilefrine	[no description available]	medium	1	0	phenols
felodipine	[no description available]	medium	8	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
berotek	[no description available]	medium	5	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fenspiride	[no description available]	medium	1	0	azaspiro compound
fentanyl	[no description available]	medium	8	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	7	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin	[no description available]	medium	3	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
flucytosine	[no description available]	medium	7	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flumazenil	[no description available]	medium	7	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
fluorescite	[no description available]	medium	4	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
fluorouracil	[no description available]	medium	10	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
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	4	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	7	0	sulfonamide
glyburide	[no description available]	medium	10	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
granisetron	[no description available]	medium	3	0	aromatic amide; indazoles
guanfacine	[no description available]	medium	3	0	acetamides
haloperidol	[no description available]	medium	11	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexobarbital	[no description available]	medium	15	0	barbiturates
hydralazine	[no description available]	medium	7	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydroflumethiazide	[no description available]	medium	3	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hypericin	[no description available]	medium	1	0
ifosfamide	[no description available]	medium	5	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
amrinone	[no description available]	medium	9	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iohexol	[no description available]	medium	3	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	2	0	organic molecular entity
avapro	[no description available]	medium	7	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoniazid	[no description available]	medium	27	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	4	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	5	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	5	0	piperazines
ketamine	[no description available]	medium	6	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	5	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketorolac	[no description available]	medium	2	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	9	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
letrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
losartan	[no description available]	medium	5	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
mebendazole	[no description available]	medium	5	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meperidine	[no description available]	medium	20	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
meperidine	[no description available]	medium	20	2	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mepivacaine	[no description available]	medium	3	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	17	0	organic molecular entity
mesalamine	[no description available]	medium	3	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
methylphenidate	[no description available]	medium	6	0	beta-amino acid ester; methyl ester; piperidines
metoclopramide	[no description available]	medium	6	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	high	21	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	12	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mexiletine	[no description available]	medium	5	0	aromatic ether; primary amino compound	anti-arrhythmia drug
midazolam	[no description available]	medium	41	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	1	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	3	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitoxantrone	[no description available]	medium	6	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
moclobemide	[no description available]	medium	5	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	3	0	acetamides; benzamides	anti-arrhythmia drug
naratriptan	[no description available]	medium	1	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nefazodone	[no description available]	medium	9	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam	[no description available]	medium	3	0	benzoxazocine; tertiary amino compound
nicardipine	[no description available]	medium	6	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nimodipine	[no description available]	medium	9	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	5	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	9	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
nomifensine	[no description available]	medium	5	0	isoquinolines	dopamine uptake inhibitor
nortriptyline	[no description available]	medium	11	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ofloxacin	[no description available]	medium	7	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
ondansetron	[no description available]	medium	8	0	carbazoles
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	3	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	4	0	phosphonoacetic acid
pantoprazole	[no description available]	medium	5	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	9	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	9	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	6	0	oxopurine
moxonidine	[no description available]	medium	2	0	organohalogen compound; pyrimidines
pimobendan	[no description available]	medium	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pindolol	[no description available]	medium	9	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piretanide	[no description available]	medium	1	0	aromatic ether
prazosin	[no description available]	medium	9	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
prilocaine	[no description available]	medium	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
procainamide	[no description available]	medium	9	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	5	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	3	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promethazine	[no description available]	medium	15	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
promethazine	[no description available]	medium	15	3	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone	[no description available]	medium	5	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propofol	[no description available]	medium	4	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pyridostigmine	[no description available]	medium	1	0	pyridinium ion
pyrimethamine	[no description available]	medium	7	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
ranitidine	[no description available]	medium	12	0	aralkylamine
risperidone	[no description available]	medium	8	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
rizatriptan	[no description available]	medium	2	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
sulfadiazine	[no description available]	medium	6	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
risedronic acid	[no description available]	medium	2	0	pyridines
sotalol	[no description available]	medium	9	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
imatinib	[no description available]	medium	4	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	4	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfamethoxazole	[no description available]	medium	8	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
sulfinpyrazone	[no description available]	medium	7	0	pyrazolidines; sulfoxide	uricosuric drug
sulfisoxazole	[no description available]	medium	7	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sumatriptan	[no description available]	medium	9	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
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
gatifloxacin	[no description available]	medium	5	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terazosin	[no description available]	medium	4	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	8	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thalidomide	[no description available]	medium	9	0	phthalimides; piperidones
thiotepa	[no description available]	medium	5	0	aziridines
tinidazole	[no description available]	medium	3	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tizanidine	[no description available]	medium	7	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	55	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
ultram	[no description available]	medium	4	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	3	0	amino acid
trazodone	[no description available]	medium	5	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	6	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	13	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimetrexate	[no description available]	medium	2	0
trimipramine	[no description available]	medium	4	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	4	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
viloxazine	[no description available]	medium	1	0	aromatic ether
zaleplon	[no description available]	medium	2	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zolpidem	[no description available]	medium	4	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zopiclone	[no description available]	medium	3	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
prednisolone	[no description available]	medium	21	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
cephaloridine	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
penicillin g	[no description available]	medium	11	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
vincristine	[no description available]	medium	5	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	4	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	3	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	5	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	8	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	3	0	penicillin allergen; penicillin	antibacterial drug
oxacillin	[no description available]	medium	2	0	penicillin	antibacterial agent; antibacterial drug
ampicillin	[no description available]	medium	4	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	3	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	4	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
methylprednisolone	[no description available]	medium	9	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
penicillin v	[no description available]	medium	4	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	5	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	high	12	1	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
ergotamine	[no description available]	high	12	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	2	0	bromide salt
nafcillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
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	6	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
galantamine	[no description available]	medium	3	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
dextropropoxyphene	[no description available]	medium	47	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
dextropropoxyphene	[no description available]	medium	47	7	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
ketobemidone	[no description available]	medium	1	0	piperidines
chlormethiazole	[no description available]	medium	4	0	thiazoles
methamphetamine	[no description available]	medium	6	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	6	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
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	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
vinblastine	[no description available]	medium	7	0
ethambutol	[no description available]	medium	2	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
vancomycin	[no description available]	medium	4	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	2	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
dronabinol	[no description available]	high	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
benperidol	[no description available]	medium	1	0	aromatic ketone
chlordesmethyldiazepam	[no description available]	medium	1	0	benzodiazepine
doxifluridine	[no description available]	medium	4	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
dicloxacillin	[no description available]	medium	4	0	dichlorobenzene; penicillin	antibacterial drug
streptomycin	[no description available]	medium	8	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	5	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	3	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	3	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
zalcitabine	[no description available]	medium	6	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
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
selegiline	[no description available]	medium	4	0	selegiline; terminal acetylenic compound	geroprotector
cephalexin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	4	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
cephapirin	[no description available]	medium	2	0	cephalosporin	antibacterial drug
pregnanolone	[no description available]	medium	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
du-21220	[no description available]	medium	2	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
cefazolin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	12	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	10	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
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
paclitaxel	[no description available]	medium	14	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
ticarcillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
ribavirin	[no description available]	medium	6	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
tolamolol	[no description available]	medium	1	0
cephradine	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
tocainide	[no description available]	medium	3	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sulbenicillin	[no description available]	medium	1	0	penicillin
sq-11725	[no description available]	medium	7	0
diltiazem	[no description available]	medium	13	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
vecuronium bromide	[no description available]	medium	3	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
meptazinol	[no description available]	medium	1	0	azepanes
sufentanil	[no description available]	medium	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
torsemide	[no description available]	medium	1	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
medroxalol	[no description available]	medium	1	0	salicylamides
epirubicin	[no description available]	medium	5	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
lorcainide	[no description available]	medium	4	0	acetamides
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
paroxetine	[no description available]	medium	6	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	9	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	2	0	cephalosporin	antibacterial drug
atracurium	[no description available]	medium	2	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
moxalactam	[no description available]	medium	2	0	cephalosporin; oxacephem	antibacterial drug
endralazine	[no description available]	medium	1	0	benzamides
cefadroxil anhydrous	[no description available]	medium	7	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	2	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
pefloxacin	[no description available]	medium	3	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
alfentanil	[no description available]	medium	6	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	7	0
recainam	[no description available]	medium	1	0
lovastatin	[no description available]	medium	6	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
flupirtine	[no description available]	medium	3	0	aminopyridine
enoximone	[no description available]	medium	3	0	aromatic ketone
idazoxan	[no description available]	medium	3	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	3	0	dimethoxybenzene
pravastatin	[no description available]	medium	5	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	5	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	5	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	3	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	1	0
esmolol	[no description available]	medium	2	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin	[no description available]	medium	3	0	quinolines
adefovir	[no description available]	medium	2	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	4	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
cidofovir anhydrous	[no description available]	medium	3	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
tiagabine	[no description available]	medium	2	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
mibefradil	[no description available]	medium	6	0	tetralins	T-type calcium channel blocker
topotecan	[no description available]	medium	3	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
bromfenac	[no description available]	medium	5	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemcitabine	[no description available]	medium	1	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	3	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	6	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	5	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	6	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	3	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	2	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	5	0
cefprozil	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
iopamidol	[no description available]	medium	3	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	2	0	pyridoindole
repaglinide	[no description available]	medium	3	0	piperidines
telmisartan	[no description available]	medium	10	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	5	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	4	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
diprafenone	[no description available]	medium	1	0	aromatic compound
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
uk 68798	[no description available]	medium	4	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
ljc 10627	[no description available]	medium	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
dexrazoxane	[no description available]	medium	2	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
bufuralol	[no description available]	medium	14	0	benzofurans
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
methotrimeprazine	[no description available]	high	4	1	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
methotrimeprazine	[no description available]	high	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
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
atovaquone	[no description available]	medium	2	0	hydroxy-1,2-naphthoquinone
rivastigmine	[no description available]	medium	1	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	3	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone	[no description available]	medium	7	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	8	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
nicotine	[no description available]	high	10	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
mci 9038	[no description available]	medium	1	0	peptide
imipenem, anhydrous	[no description available]	medium	1	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
bosentan anhydrous	[no description available]	medium	7	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	2	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	1	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663	[no description available]	medium	4	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
gefitinib	[no description available]	medium	6	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	3	0	penicillanic acids
dilevalol	[no description available]	medium	2	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
docetaxel	[no description available]	medium	2	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	9	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	1	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	1	0	methoxybenzenes
conivaptan	[no description available]	medium	1	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	2	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	1	0	dihydropyridine
solifenacin	[no description available]	medium	1	0	isoquinolines
xamoterol	[no description available]	medium	2	0	morpholines
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	1	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	3	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	3	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	3	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	3	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
quinidine	[no description available]	medium	27	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
meropenem	[no description available]	medium	3	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin	[no description available]	medium	8	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	7	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
miglitol	[no description available]	medium	2	0	piperidines
linezolid	[no description available]	medium	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
tolterodine	[no description available]	medium	2	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	2	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	3	0	amino cyclitol; glycoside
tacrolimus	[no description available]	medium	3	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	5	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
fosfomycin	[no description available]	medium	3	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	7	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	3	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	1	0
teniposide	[no description available]	medium	4	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	4	0	cephalosporin; semisynthetic derivative	antibacterial drug
tiazofurin	[no description available]	medium	3	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	6	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	3	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
micafungin	[no description available]	medium	2	0	antibiotic antifungal drug; echinocandin	antiinfective agent
mezlocillin	[no description available]	medium	2	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	5	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
mercaptopurine	[no description available]	medium	12	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
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	7	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
drotaverin	[no description available]	medium	3	0	isoquinolines
digoxin	[no description available]	medium	11	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	3	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
lincomycin	[no description available]	medium	3	1	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	6	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
hmr 3647	[no description available]	medium	6	0
nelarabine	[no description available]	medium	2	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	2	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	6	0	steroid	estrogen
quinine	[no description available]	high	38	1	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
quinine	[no description available]	high	38	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
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	3	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	7	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin	[no description available]	medium	7	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
clavulanic acid	[no description available]	medium	3	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	5	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	6	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	5	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	5	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	3	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclosporine	[no description available]	medium	11	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
hydromorphone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene	[no description available]	medium	4	0	morphinane alkaloid
naloxone	[no description available]	medium	11	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
naloxone	[no description available]	medium	11	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	19	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxycodone	[no description available]	medium	19	2	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
alvocidib	[no description available]	medium	2	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]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nalbuphine	[no description available]	medium	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
nateglinide	[no description available]	medium	2	0	phenylalanine derivative
vinorelbine	[no description available]	medium	4	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
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	7	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
naltrexone	[no description available]	medium	4	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
morphine-6-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
butorphanol	[no description available]	medium	5	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	1	0	phenanthrenes
cefixime	[no description available]	medium	6	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	8	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate	[no description available]	medium	7	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	3	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	6	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
cefetamet	[no description available]	medium	1	0	cephalosporin
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	4	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	2	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	2	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	2	0
ceftizoxime	[no description available]	medium	2	0	cephalosporin	antibacterial drug
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
artesunate	[no description available]	medium	3	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	2	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
bn 52020	[no description available]	medium	1	0
vindesine	[no description available]	medium	3	0
scopolamine hydrobromide	[no description available]	medium	5	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	1	0
ly-146032	[no description available]	medium	2	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
tetracycline	[no description available]	medium	21	0
oxytetracycline, anhydrous	[no description available]	medium	4	0
minocycline	[no description available]	medium	5	0
roquinimex	[no description available]	medium	2	0	aromatic amide
mobic	[no description available]	medium	5	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	8	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
isoxicam	[no description available]	medium	4	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
tigecycline	[no description available]	medium	2	0
acyclovir	[no description available]	medium	8	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
dacarbazine	[no description available]	medium	7	0	dacarbazine
didanosine	[no description available]	medium	5	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	6	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	6	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
penciclovir	[no description available]	medium	2	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	3	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	2	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	2	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
aprepitant	[no description available]	medium	2	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	6	0
carnitine	[no description available]	medium	3	0	amino-acid betaine	human metabolite; mouse metabolite
hoe 33342	[no description available]	medium	2	0	bibenzimidazole; N-methylpiperazine	fluorochrome
p-aminohippuric acid	[no description available]	medium	3	0	N-acylglycine	Daphnia magna metabolite
astemizole	[no description available]	medium	7	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone	[no description available]	medium	8	0	1-benzofurans; aromatic ketone	uricosuric drug
celecoxib	[no description available]	medium	6	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chlorzoxazone	[no description available]	medium	27	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
clotrimazole	[no description available]	medium	5	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
dipyridamole	[no description available]	medium	7	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
fendiline	[no description available]	medium	2	0	diarylmethane
fexofenadine	[no description available]	medium	6	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
gliclazide	[no description available]	medium	6	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
hydrochlorothiazide	[no description available]	medium	11	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
loperamide	[no description available]	medium	3	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
loratadine	[no description available]	medium	5	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
pramoxine	[no description available]	medium	1	0	aromatic ether; morpholines	local anaesthetic
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
sulfanitran	[no description available]	medium	2	0	sulfonamide
sulfasalazine	[no description available]	medium	11	0
terfenadine	[no description available]	medium	7	0	diarylmethane
reserpine	[no description available]	medium	11	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
spironolactone	[no description available]	medium	6	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
sulfobromophthalein sodium	[no description available]	medium	4	0	organic sodium salt	dye
tryptophan	[no description available]	medium	7	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
taurocholic acid	[no description available]	medium	3	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
rotenone	[no description available]	medium	4	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
phenformin	[no description available]	medium	10	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
nandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
chenodeoxycholic acid	[no description available]	medium	4	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
medroxyprogesterone	[no description available]	medium	3	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
dehydroepiandrosterone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
glycyrrhizic acid	[no description available]	medium	2	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
amiloride	[no description available]	medium	2	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
phenethyl isothiocyanate	[no description available]	medium	2	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
ergocristine	[no description available]	medium	1	0	ergot alkaloid
1-methyl-4-phenylpyridinium	[no description available]	medium	2	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
simvastatin	[no description available]	medium	6	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
mifepristone	[no description available]	medium	4	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
n-methylnicotinamide	[no description available]	medium	2	0	pyridinecarboxamide	metabolite
baicalin	[no description available]	medium	4	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
glutathione disulfide	[no description available]	medium	3	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
sanguinarine chloride	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	1	0
4-nitrophenylglucuronide	[no description available]	medium	1	0	beta-D-glucosiduronic acid; C-nitro compound	chromogenic compound
lopinavir	[no description available]	medium	5	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
fluo-3	[no description available]	medium	2	0	xanthene dye	fluorochrome
elacridar	[no description available]	medium	2	0
imatinib mesylate	[no description available]	medium	2	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
5-carboxyfluorescein diacetate	[no description available]	medium	2	0
disopyramide, (s)-isomer	[no description available]	medium	1	0
erlotinib	[no description available]	medium	2	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
cholic acid	[no description available]	medium	2	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
noscapine	[no description available]	high	4	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
ritonavir	[no description available]	medium	9	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
naringenin	[no description available]	medium	2	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
taxifolin	[no description available]	medium	1	0	taxifolin	metabolite
taurolithocholic acid	[no description available]	medium	3	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
resveratrol	[no description available]	medium	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
chlorprothixene	[no description available]	medium	2	0	chlorprothixene
fusidic acid	[no description available]	medium	4	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	3	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
biochanin a	[no description available]	medium	2	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
apigenin	[no description available]	medium	3	0	trihydroxyflavone	antineoplastic agent; metabolite
genistein	[no description available]	medium	3	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
chrysin	[no description available]	medium	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
morin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
flupenthixol	[no description available]	medium	3	0	flupenthixol	dopaminergic antagonist
l 660,711	[no description available]	medium	4	0	quinolines
tranilast	[no description available]	medium	3	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
seglitide	[no description available]	medium	1	0
dextromethorphan	[no description available]	medium	24	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
sulindac sulfone	[no description available]	medium	2	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ko 143	[no description available]	medium	2	0	beta-carbolines; tert-butyl ester
nystatin a1	[no description available]	medium	2	0	nystatins
tipranavir	[no description available]	medium	2	0	sulfonamide	antiviral drug; HIV protease inhibitor
valacyclovir	[no description available]	medium	3	0	L-valyl ester	antiviral drug
nabumetone	[no description available]	medium	3	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
1,3-indandione	[no description available]	medium	1	0	aromatic ketone; beta-diketone; indanones
buspirone	[no description available]	medium	8	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
fenoprofen	[no description available]	high	5	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
oxaprozin	[no description available]	medium	5	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
troglitazone	[no description available]	medium	7	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
triprolidine	[no description available]	medium	4	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
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
parathion	[no description available]	medium	4	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	6	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	4	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
ametantrone	[no description available]	medium	1	0
aminoglutethimide	[no description available]	medium	7	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	9	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	4	0	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
carteolol	[no description available]	medium	2	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
celiprolol	[no description available]	medium	1	0	aromatic ketone
chloral hydrate	[no description available]	medium	5	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorothiazide	[no description available]	medium	5	0	benzothiadiazine	antihypertensive agent; diuretic
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol	[no description available]	medium	6	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	15	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	2	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	1	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diethylcarbamazine	[no description available]	medium	3	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	4	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
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	6	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	2	0	carbamate ester; terminal acetylenic compound	sedative
ethosuximide	[no description available]	medium	6	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
fluphenazine	[no description available]	medium	4	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
glutethimide	[no description available]	medium	14	0	piperidines
guanethidine	[no description available]	medium	4	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
halothane	[no description available]	medium	5	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
phenelzine	[no description available]	medium	9	0	primary amine
indapamide	[no description available]	medium	5	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iproniazid	[no description available]	medium	6	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	4	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	27	0	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	high	4	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	2	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	8	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	medium	4	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nylidrin	[no description available]	medium	1	0	alkylbenzene
oxprenolol	[no description available]	medium	4	0	aromatic ether
4-dichlorobenzene	[no description available]	medium	4	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	2	0	acetamides
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
primidone	[no description available]	medium	7	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probucol	[no description available]	medium	5	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procarbazine	[no description available]	medium	4	0	benzamides; hydrazines	antineoplastic agent
resorcinol	[no description available]	medium	2	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	2	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	5	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	4	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	9	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine	[no description available]	medium	2	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; 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
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	2	0	organohalogen compound; pyrimidines
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	3	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	4	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	7	0	oxazolidinone	anticonvulsant; geroprotector
urethane	[no description available]	medium	5	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	1	0	piperidines
floxuridine	[no description available]	medium	6	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	2	0	barbiturates
penicillamine	[no description available]	medium	7	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	4	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
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	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
thiamine	[no description available]	medium	1	0	organic chloride salt; vitamin B1
niridazole	[no description available]	medium	3	0	1,3-thiazoles; C-nitro compound
cloxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
zoxazolamine	[no description available]	medium	3	0	benzoxazole
uracil mustard	[no description available]	medium	3	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	medium	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	2	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
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
cytarabine	[no description available]	medium	5	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
pseudoephedrine	[no description available]	medium	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	6	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
phenetidine	[no description available]	high	20	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
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	3	0	benzenes; sulfonamide
hydantoins	[no description available]	medium	7	0	imidazolidine-2,4-dione
hydantoins	[no description available]	medium	7	1	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
pamaquine	[no description available]	medium	2	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
apronalide	[no description available]	medium	2	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	4	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	2	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	3	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	7	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
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
razoxane	[no description available]	medium	2	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	3	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
bromocriptine	[no description available]	medium	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
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
dobutamine	[no description available]	medium	2	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
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	3	0	cephalosporin	antibacterial drug; drug allergen
piritrexim	[no description available]	medium	3	0
caracemide	[no description available]	medium	1	0
quinapril	[no description available]	medium	6	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	2	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	2	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	3	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	2	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	2	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
estramustine	[no description available]	medium	3	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	2	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pentostatin	[no description available]	medium	2	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	1	0	amino sugar
retinol	[no description available]	medium	4	0	retinol; vitamin A	human metabolite; mouse metabolite; 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
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
dipyrone	[no description available]	high	8	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	3	0
amygdalin	[no description available]	medium	1	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	3	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
thioguanine anhydrous	[no description available]	medium	4	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
6-thioguanosine	[no description available]	medium	1	0	purine nucleoside
streptozocin	[no description available]	medium	4	0
ethionamide	[no description available]	medium	4	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
hymecromone	[no description available]	medium	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
amphotericin b	[no description available]	medium	5	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
cynarine	[no description available]	medium	3	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	5	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	3	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	5	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	3	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	2	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	2	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	20	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	6	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
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	3	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	2	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
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
betaine	[no description available]	medium	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
creatine	[no description available]	medium	5	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	3	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	high	4	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	3	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
glycine	[no description available]	medium	6	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
glycerol	[no description available]	medium	4	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	4	0	cyclitol; hexol
niacinamide	[no description available]	medium	7	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	8	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
orotic acid	[no description available]	medium	2	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	5	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenylacetic acid	[no description available]	medium	2	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyridoxal phosphate	[no description available]	medium	2	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	5	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	6	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	23	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
urea	[no description available]	medium	23	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	2	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
acetohydroxamic acid	[no description available]	medium	3	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	6	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
ambroxol	[no description available]	medium	3	0	aromatic amine
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
anastrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	3	0	anthracenes	antipsoriatic
baclofen	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
bromisovalum	[no description available]	medium	2	0	N-acylurea; organobromine compound
butalbital	[no description available]	medium	2	0	barbiturates	analgesic; sedative
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carisoprodol	[no description available]	medium	9	0	carbamate ester	muscle relaxant
carprofen	[no description available]	medium	2	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
cetirizine	[no description available]	medium	4	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
cisapride	[no description available]	medium	4	0	benzamides
clobazam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	4	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clomiphene	[no description available]	medium	3	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
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
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
brl 42810	[no description available]	medium	3	0	2-aminopurines; acetate ester	antiviral drug; prodrug
flufenamic acid	[no description available]	high	12	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fomepizole	[no description available]	medium	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	high	5	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
hexachlorophene	[no description available]	medium	5	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	2	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
iodipamide	[no description available]	medium	2	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
isoflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
isoxsuprine	[no description available]	medium	2	0	alkylbenzene
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
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
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	6	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
lofepramine	[no description available]	medium	3	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	2	0	organic molecular entity
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	18	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
mefenamic acid	[no description available]	medium	18	1	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
vitamin k 3	[no description available]	medium	5	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	high	3	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methyprylon	[no description available]	medium	2	0	organic molecular entity
metyrapone	[no description available]	medium	6	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	7	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
miconazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles
mitotane	[no description available]	medium	1	0	diarylmethane
modafinil	[no description available]	medium	2	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	6	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimesulide	[no description available]	medium	6	1	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	5	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
orphenadrine	[no description available]	medium	12	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
orphenadrine	[no description available]	medium	12	4	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	2	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
aminosalicylic acid	[no description available]	medium	7	0	aminobenzoic acid; phenols	antitubercular agent
pemoline	[no description available]	medium	4	0	1,3-oxazoles	central nervous system stimulant
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenolphthalein	[no description available]	medium	2	0	phenols
phenoxybenzamine	[no description available]	medium	3	0	aromatic amine
pinacidil	[no description available]	medium	3	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	4	0	isoquinolines
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
opc 12759	[no description available]	medium	1	0	secondary carboxamide
riluzole	[no description available]	medium	5	0	benzothiazoles
rofecoxib	[no description available]	medium	5	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	8	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
sulfadimethoxine	[no description available]	high	4	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethizole	[no description available]	medium	3	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaphenazole	[no description available]	medium	10	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	3	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
temazepam	[no description available]	medium	2	0	benzodiazepine
tiaprofenic acid	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	8	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	2	0	N-acyl-amino acid
tolperisone	[no description available]	medium	2	0	aromatic ketone
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	5	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
estriol	[no description available]	medium	2	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
phentolamine	[no description available]	medium	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	4	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
piperonyl butoxide	[no description available]	medium	2	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	3	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	7	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	high	3	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
estrone	[no description available]	medium	3	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
pilocarpine	[no description available]	medium	7	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
sucrose	[no description available]	medium	5	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
testosterone propionate	[no description available]	medium	1	0	steroid ester
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
phenylephrine	[no description available]	medium	3	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	10	0	lactose
lactose	[no description available]	medium	10	1	lactose
methionine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
norethindrone	[no description available]	medium	4	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
benziodarone	[no description available]	medium	1	0	aromatic ketone
medroxyprogesterone acetate	[no description available]	medium	4	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	3	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	3	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
arginine	[no description available]	medium	4	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	2	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
mephobarbital	[no description available]	medium	4	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	6	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	3	0	quinolines
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	3	0	mixture	bronchodilator agent; cardiotonic drug
phenyramidol	[no description available]	medium	1	0	aminopyridine
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
dihydralazine	[no description available]	medium	2	0	phthalazines
phenylpropanolamine	[no description available]	medium	7	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	2	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	2	0	glycosylfructose	gastrointestinal drug; laxative
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
estradiol valerate	[no description available]	medium	1	0	steroid ester
d-alpha tocopherol	[no description available]	medium	3	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
pimozide	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
sulfadoxine	[no description available]	medium	3	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
iproclozide	[no description available]	medium	1	0	aromatic ether
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	2	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
vidarabine	[no description available]	medium	3	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
levamisole	[no description available]	medium	11	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
thiamphenicol	[no description available]	medium	3	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
oxyphenisatin	[no description available]	medium	1	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
pirprofen	[no description available]	medium	3	0	pyrroline
ticrynafen	[no description available]	high	4	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	3	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
benoxaprofen	[no description available]	medium	4	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
permethrin	[no description available]	medium	3	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
foscarnet sodium	[no description available]	medium	2	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
atomoxetine hydrochloride	[no description available]	medium	3	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
gepirone	[no description available]	medium	1	0	N-arylpiperazine
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
atorvastatin	[no description available]	medium	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
duloxetine	[no description available]	medium	1	0	duloxetine
adefovir dipivoxil	[no description available]	medium	2	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	5	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	4	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	4	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	4	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
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
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	6	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	2	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1	0
olmesartan medoxomil	[no description available]	medium	3	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ezetimibe	[no description available]	medium	3	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
jtt 501	[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
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	3	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
troleandomycin	[no description available]	medium	5	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	2	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	2	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
nexavar	[no description available]	medium	1	0	organosulfonate salt
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	4	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
doxorubicin hydrochloride	[no description available]	medium	3	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	2	0	organic molecular entity
tretinoin	[no description available]	medium	4	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
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
drf 2725	[no description available]	medium	3	0
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
dactinomycin	[no description available]	medium	4	0	actinomycin	mutagen
rubitecan	[no description available]	medium	2	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
riboflavin	[no description available]	medium	2	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
sodium bicarbonate	[no description available]	medium	2	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	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
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
prothionamide	[no description available]	medium	1	0	pyridines
capsaicin	[no description available]	high	5	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
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
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
orlistat	[no description available]	medium	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
dinoprost	[no description available]	medium	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	3	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
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
oxymetholone	[no description available]	medium	3	0
mycophenolate mofetil	[no description available]	medium	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
etretinate	[no description available]	medium	3	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	4	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	2	0
ozagrel	[no description available]	medium	2	0	cinnamic acids
pitavastatin	[no description available]	medium	2	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
natamycin	[no description available]	medium	3	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
acitretin	[no description available]	medium	4	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	3	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	6	0	morphinane alkaloid
nalorphine	[no description available]	medium	6	2	morphinane alkaloid
oxymorphone	[no description available]	medium	2	0	morphinane 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
topiramate	[no description available]	medium	3	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	2	0
furazolidone	[no description available]	medium	3	0
fluvoxamine	[no description available]	medium	12	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
molsidomine	[no description available]	medium	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
imidapril	[no description available]	medium	1	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
ximelagatran	[no description available]	medium	2	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
trandolapril	[no description available]	medium	3	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
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
proguanil	[no description available]	medium	2	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
dantrolene sodium	[no description available]	medium	3	0
nifurtimox	[no description available]	medium	2	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	3	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	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
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	2	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	1	0	organic molecular entity
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
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	3	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	2	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	2	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
dicumarol	[no description available]	medium	5	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
acenocoumarol	[no description available]	medium	4	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
phenprocoumon	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
lornoxicam	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1	0
entecavir	[no description available]	medium	2	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	4	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
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
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	2	0	N-acyl-amino acid
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	6	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
antazoline	[no description available]	medium	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
bendroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzquinamide	[no description available]	medium	1	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
bepridil	[no description available]	medium	3	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
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	1	0	aromatic ether
carbazochrome	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
chloroxine	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
cyclofenil	[no description available]	medium	1	0	organic molecular entity
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
doxylamine	[no description available]	medium	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
profenamine	[no description available]	medium	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
etizolam	[no description available]	medium	1	0	organic molecular entity
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
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
hexylresorcinol	[no description available]	medium	1	0	resorcinols
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
ketotifen	[no description available]	medium	4	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
memantine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mesoridazine	[no description available]	medium	2	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methocarbamol	[no description available]	medium	1	0	aromatic ether; carbamate ester; secondary alcohol
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
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	5	0	aromatic amine
phenindione	[no description available]	medium	6	0	aromatic ketone; beta-diketone	anticoagulant
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
pyranoprofen	[no description available]	medium	3	0	pyridochromene
proglumide	[no description available]	medium	2	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
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
proxyphylline	[no description available]	medium	1	0	oxopurine
salicylsalicylic acid	[no description available]	medium	1	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
ipodate	[no description available]	medium	1	0
succinylcholine	[no description available]	medium	8	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	3	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
tiaramide	[no description available]	medium	1	0	benzothiazoles
trifluperidol	[no description available]	medium	1	0	aromatic ketone
trimebutine	[no description available]	medium	1	0	trihydroxybenzoic acid
tripelennamine	[no description available]	medium	4	0	aromatic amine
lysergic acid diethylamide	[no description available]	medium	4	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
lysine	[no description available]	medium	3	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	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
leucine	[no description available]	medium	3	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	3	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	1	0	diarylmethane
carbromal	[no description available]	medium	2	0	N-acylurea
pantothenic acid	[no description available]	medium	1	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
propylparaben	[no description available]	medium	2	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
estradiol dipropionate	[no description available]	medium	1	0	steroid ester
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
ditiocarb	[no description available]	medium	4	0	dithiocarbamic acids	chelator; copper chelator
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	1	0	xanthenes
opipramol	[no description available]	medium	1	0	dibenzoazepine
glymidine	[no description available]	medium	1	0	diether; pyrimidines; sulfonamide	hypoglycemic agent
prenylamine	[no description available]	medium	2	0	diarylmethane
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
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
methallenestril	[no description available]	medium	1	0	naphthalenes
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
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	1	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
clothiapine	[no description available]	medium	1	0	dibenzothiazepine
cephaloglycin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
noxiptilin	[no description available]	medium	2	0	organic tricyclic compound
metocurine	[no description available]	medium	3	0	isoquinolines
isometheptene	[no description available]	medium	2	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
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
proquazone	[no description available]	medium	1	0	pyrimidines
halazepam	[no description available]	medium	2	0	organic molecular entity
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
feprazone	[no description available]	medium	2	0	organic molecular entity
halofantrine	[no description available]	medium	2	0	phenanthrenes
prenalterol	[no description available]	medium	1	0	aromatic ether
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
ceftezole	[no description available]	medium	1	0	cephalosporin; thiadiazoles
clociguanil	[no description available]	medium	3	0
lividomycin	[no description available]	medium	1	0	lividomycins	metabolite
gentamicin c1	[no description available]	medium	2	0
moexipril	[no description available]	medium	1	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	5	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
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
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	1	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	2	0
lobeline	[no description available]	medium	1	0
thiothixene	[no description available]	medium	3	0	N-methylpiperazine	anticoronaviral agent
benztropine	[no description available]	medium	1	0	diarylmethane
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
zeranol	[no description available]	medium	1	0	macrolide
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
bilirubin	[no description available]	medium	7	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
ethchlorvynol	[no description available]	medium	2	0
rokitamycin	[no description available]	medium	1	0	organic molecular entity
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
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
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
proscillaridin	[no description available]	medium	2	0	organic molecular entity
abt-770	[no description available]	medium	2	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	2	0
homatropine methylbromide	[no description available]	medium	1	0
bephenium hydroxynaphthoate	[no description available]	medium	1	0
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
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
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	1	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
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
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
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	2	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine	[no description available]	medium	1	0	chlorphenamine
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	3	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	2	0	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
pirlindole	[no description available]	medium	1	0	carbazoles
artemether	[no description available]	medium	2	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	3	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
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
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
ethylene glycol	[no description available]	medium	2	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
melatonin	[no description available]	high	4	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
2,4-dinitrophenol	[no description available]	medium	2	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
amoxapine	[no description available]	medium	3	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
bithionol	[no description available]	medium	3	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
candesartan	[no description available]	medium	3	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ciclopirox	[no description available]	medium	4	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	4	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cromolyn	[no description available]	medium	2	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fipexide	[no description available]	medium	2	0	benzodioxoles
fluspirilene	[no description available]	medium	2	0	diarylmethane
hycanthone	[no description available]	medium	3	0	thioxanthenes	mutagen; schistosomicide drug
isocarboxazid	[no description available]	medium	3	0	benzenes
meclofenamate sodium anhydrous	[no description available]	medium	2	0	organic sodium salt
nocodazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
oxibendazole	[no description available]	medium	2	0	benzimidazoles; carbamate ester
pioglitazone	[no description available]	medium	5	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
raloxifene	[no description available]	medium	3	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
sulfabenzamide	[no description available]	medium	2	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
zomepirac	[no description available]	medium	9	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
zomepirac	[no description available]	medium	9	6	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
oxyphenonium	[no description available]	medium	2	0	acylcholine
isoproterenol hydrochloride	[no description available]	medium	2	0	catechols
promazine hydrochloride	[no description available]	medium	2	0	hydrochloride
2-acetylaminofluorene	[no description available]	medium	10	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
promethazine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
acetylcholine chloride	[no description available]	medium	2	0	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	2	0	dimethoxybenzene
dimethylnitrosamine	[no description available]	medium	2	0	nitrosamine	geroprotector; mutagen
primaquine phosphate	[no description available]	medium	2	0
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
tromethamine	[no description available]	medium	4	0	primary amino compound; triol	buffer
hexachlorobutadiene	[no description available]	medium	1	0	organochlorine compound
phenothiazine	[no description available]	medium	4	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
2-bromophenol	[no description available]	medium	2	0	bromophenol	marine metabolite
3-dinitrobenzene	[no description available]	medium	1	0	dinitrobenzene	neurotoxin
pyridostigmine bromide	[no description available]	medium	3	0	pyridinium salt
4,4'-diaminodiphenylmethane	[no description available]	medium	3	0	aromatic amine	allergen; carcinogenic agent
phenylisothiocyanate	[no description available]	medium	2	0	isothiocyanate	allergen; reagent
4-bromophenol	[no description available]	medium	2	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
2-bromoethylamine	[no description available]	medium	2	0
allyl alcohol	[no description available]	medium	2	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
imipramine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant
edrophonium chloride	[no description available]	medium	2	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate	[no description available]	medium	2	0	diester; phthalate ester	plasticiser
phenazopyridine hydrochloride	[no description available]	medium	2	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	2	0	benzoate ester
diphenhydramine hydrochloride	[no description available]	medium	5	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
tripelennamine hydrochloride	[no description available]	medium	2	0
ethynodiol diacetate	[no description available]	medium	2	0	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
monocrotaline	[no description available]	medium	2	0	pyrrolizidine alkaloid
pseudoephedrine hydrochloride	[no description available]	medium	2	0	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	3	0	hydrochloride	antineoplastic agent
lithocholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
amitriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound
isoxsuprine hydrochloride	[no description available]	medium	2	0	alkylbenzene
betaine hydrochloride	[no description available]	medium	2	0
3-hydroxyacetanilide	[no description available]	high	2	0	acetamides; phenols	non-narcotic analgesic
methoxyacetic acid	[no description available]	medium	2	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	2	0	hydrochloride
pregnenolone carbonitrile	[no description available]	medium	2	0	aliphatic nitrile
ibufenac	[no description available]	medium	2	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	0	polychlorinated dibenzodioxine
clonidine hydrochloride	[no description available]	medium	2	0	dichlorobenzene
ethylene dimethanesulfonate	[no description available]	medium	2	0
mexiletine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
metoclopramide hydrochloride	[no description available]	medium	2	0
carbendazim	[no description available]	medium	2	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
disopyramide phosphate	[no description available]	medium	2	0	organoammonium phosphate
butylated hydroxytoluene	[no description available]	medium	2	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
moricizine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
serentil	[no description available]	medium	2	0	organosulfonate salt	dopaminergic antagonist; first generation antipsychotic
propafenone hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
carbidopa	[no description available]	medium	2	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
flecainide acetate	[no description available]	medium	2	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	2	0	dihydropyridine	geroprotector
indacrinone	[no description available]	medium	2	0
butoconazole nitrate	[no description available]	medium	2	0	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
fialuridine	[no description available]	medium	2	0
mitoxantrone hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
alpidem	[no description available]	medium	2	0	imidazoles
temafloxacin	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
tasosartan	[no description available]	medium	2	0	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	0	organic molecular entity
allyl formate	[no description available]	medium	2	0
desferrioxamine b mesylate	[no description available]	medium	2	0	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
bupropion hydrochloride	[no description available]	medium	3	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	3	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	2	0
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	2	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
amantadine hydrochloride	[no description available]	medium	2	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
dobutamine hydrochloride	[no description available]	medium	2	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
trimethobenzamide monohydrochloride	[no description available]	medium	2	0
amiloride hydrochloride	[no description available]	medium	2	0	hydrate	diuretic; sodium channel blocker
econazole nitrate	[no description available]	medium	2	0
lomefloxacin hydrochloride	[no description available]	medium	2	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
flunoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	2	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
loperamide hydrochloride	[no description available]	medium	2	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
grepafloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2-naphthylisothiocyanate	[no description available]	medium	2	0
chloroquine diphosphate	[no description available]	medium	2	0
orphenadrine citrate	[no description available]	medium	2	0	citrate salt	H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
ketorolac tromethamine	[no description available]	medium	3	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	2	0	pyrrolidines
phentolamine mesylate	[no description available]	medium	2	0
oxybutynin hydrochloride	[no description available]	medium	2	0	hydrochloride
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	0	secondary alcohol
cordium	[no description available]	medium	2	0	hydrate; hydrochloride
nsc-141549	[no description available]	medium	2	0
aflatoxin b1	[no description available]	high	4	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
fludrocortisone acetate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone
vincristine sulfate	[no description available]	medium	3	0	organic sulfate salt	antineoplastic agent; geroprotector
puromycin	[no description available]	medium	3	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
moxalactam disodium	[no description available]	medium	2	0
mometasone furoate	[no description available]	medium	2	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
nortriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound	geroprotector
kanamycin sulfate	[no description available]	medium	2	0	aminoglycoside sulfate salt	antibacterial drug; geroprotector
paromomycin sulfate	[no description available]	medium	2	0
chloramphenicol palmitate	[no description available]	medium	2	0	hexadecanoate ester
calcium pantothenate	[no description available]	medium	2	0	polymer
maleic acid	[no description available]	medium	2	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
cyanoginosin lr	[no description available]	medium	2	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
arsenic trioxide	[no description available]	medium	2	0	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	0	anthracycline
carbenoxolone sodium	[no description available]	medium	3	0	triterpenoid
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	0	hydrochloride
retinol palmitate	[no description available]	medium	2	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
vitamin d 2	[no description available]	medium	3	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
timolol maleate	[no description available]	medium	2	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	3	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	0	organic molecular entity
clemastine fumarate	[no description available]	medium	2	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	0	ergoline alkaloid	geroprotector
estradiol-17 beta-glucuronide	[no description available]	medium	3	0	3-hydroxy steroid; steroid glucosiduronic acid
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
phenoxybenzamine hydrochloride	[no description available]	medium	2	0	organic molecular entity
octylmethoxycinnamate	[no description available]	medium	2	0	cinnamate ester
benazepril	[no description available]	medium	2	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
vinblastine sulfate	[no description available]	medium	2	0
trientine hydrochloride	[no description available]	medium	2	0
dextromethorphan hydrobromide	[no description available]	medium	2	0	hydrate; hydrobromide
fenoterol	[no description available]	medium	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
enclomiphene citrate	[no description available]	medium	1	0
diphenoxylate hydrochloride	[no description available]	medium	2	0	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	0	maleate salt	diagnostic agent; oxytocic
ursodoxicoltaurine	[no description available]	medium	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
molindone hydrochloride	[no description available]	medium	2	0	indoles
cytidine diphosphate choline	[no description available]	medium	2	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
clindamycin hydrochloride	[no description available]	medium	2	0	S-glycosyl compound
quinine sulfate	[no description available]	medium	2	0	hydrate
cefotiam hydrochloride	[no description available]	medium	2	0
potassium aminobenzoate	[no description available]	medium	2	0
methicillin sodium	[no description available]	medium	2	0	organic sodium salt
nafcillin sodium	[no description available]	medium	2	0	organic sodium salt
penicillin g sodium	[no description available]	medium	2	0	organic sodium salt
cefamandole nafate	[no description available]	medium	2	0	organic sodium salt	antibacterial drug
cephapirin sodium	[no description available]	medium	2	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	2	0	organic sodium salt
dicloxacillin sodium	[no description available]	medium	2	0	hydrate
azlocillin sodium	[no description available]	medium	3	0	organic sodium salt
chlortetracycline hydrochloride	[no description available]	medium	2	0
methacycline monohydrochloride	[no description available]	medium	2	0
minocycline hydrochloride	[no description available]	medium	3	0
demeclocycline hydrochloride	[no description available]	medium	2	0
citrovorum factor	[no description available]	medium	3	0	tetrahydrofolic acid
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	2	0	sulfonamide
nadolol	[no description available]	medium	2	0	tetralins
neostigmine	[no description available]	medium	3	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
zonisamide	[no description available]	medium	2	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
tubocurarine	[no description available]	medium	4	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
antimycin a	[no description available]	medium	2	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
selegiline hydrochloride, (r)-isomer	[no description available]	medium	2	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
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
vincaleukoblastine	[no description available]	medium	2	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
wortmannin	[no description available]	medium	2	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
cinnarizine	[no description available]	medium	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
valinomycin	[no description available]	medium	2	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
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
4-aminophenol	[no description available]	medium	7	0	aminophenol	allergen; metabolite
telenzepine	[no description available]	medium	1	0	benzodiazepine
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	1	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
tolrestat	[no description available]	medium	1	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
cox 189	[no description available]	medium	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
olmesartan	[no description available]	medium	2	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
indinavir sulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt
ampicillin sodium	[no description available]	medium	1	0	organic sodium salt
sudoxicam	[no description available]	medium	1	0
coumarin	[no description available]	medium	13	0	coumarins	fluorescent dye; human metabolite; plant metabolite
furafylline	[no description available]	medium	5	0	oxopurine
furafylline	[no description available]	medium	5	1	oxopurine
alpha-naphthoflavone	[no description available]	medium	11	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
oleandomycin	[no description available]	medium	1	0	oleandomycins
(S)-Mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione
bremazocine	[no description available]	medium	1	0
alminoprofen	[no description available]	medium	1	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
amfenac	[no description available]	medium	1	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
practolol	[no description available]	high	2	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
propantheline	[no description available]	medium	1	0	xanthenes
cn 100	[no description available]	medium	1	0	organic molecular entity
guanoxan	[no description available]	medium	1	0	benzodioxine
tiotidine	[no description available]	medium	1	0	thiazoles
5-propynylarabinofuranosyluracil	[no description available]	medium	1	0
tenidap	[no description available]	medium	1	0
befloxatone	[no description available]	medium	1	0
ibuproxam	[no description available]	medium	1	0	hydroxamic acid	iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug
n-methylscopolamine	[no description available]	medium	1	0
fluparoxan	[no description available]	medium	1	0
glycylsarcosine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide
indobufen	[no description available]	medium	1	0	isoindoles
cortisone	[no description available]	medium	4	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
ouabain	[no description available]	medium	4	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
arginine vasopressin	[no description available]	medium	2	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
raclopride	[no description available]	medium	1	0	salicylamides
olopatadine	[no description available]	medium	1	0
acrivastine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
guanabenz	[no description available]	medium	1	0	dichlorobenzene
ro 42-5892	[no description available]	medium	1	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
tiacrilast	[no description available]	medium	1	0
(S)-warfarin	[no description available]	medium	1	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
monoethylglycinexylidide	[no description available]	medium	1	0	amino acid amide	drug metabolite
lidocaine hydrochloride	[no description available]	medium	1	0	hydrate	anti-arrhythmia drug; local anaesthetic
osteum	[no description available]	medium	1	0	organic molecular entity
berberine	[no description available]	medium	3	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
chelerythrine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
pilsicainide	[no description available]	medium	1	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
tetraethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
1-methylpyridinium	[no description available]	medium	1	0	methylpyridines
ranolazine	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
emtricitabine	[no description available]	medium	2	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
ubenimex	[no description available]	medium	1	0
varenicline	[no description available]	medium	1	0
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
nootkatone	[no description available]	medium	1	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
sodium taurodeoxycholate	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite
glycylproline	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	metabolite
glycodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
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
sincalide	[no description available]	medium	1	0	oligopeptide
amodiaquine	[no description available]	medium	3	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
benzydamine	[no description available]	medium	2	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
camostat	[no description available]	medium	1	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
epinastine	[no description available]	medium	1	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
gabexate	[no description available]	medium	1	0	benzoate ester
nifekalant	[no description available]	medium	1	0	amine
rimantadine	[no description available]	medium	1	0	alkylamine
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
dabigatran	[no description available]	medium	1	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
maraviroc	[no description available]	medium	2	0	tropane alkaloid
chlorhexidine	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
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
bronopol	[no description available]	medium	1	0	nitro compound
cilostazol	[no description available]	medium	1	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
ebastine	[no description available]	medium	1	0	organic molecular entity
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
piribedil	[no description available]	medium	1	0	N-arylpiperazine
ono 1078	[no description available]	medium	1	0	chromones
tazarotene	[no description available]	medium	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
tiapride	[no description available]	medium	1	0	benzamides
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
thenoyltrifluoroacetone	[no description available]	medium	1	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
dimenhydrinate	[no description available]	medium	2	0	diarylmethane
hydroxychloroquine sulfate	[no description available]	medium	1	0
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
etidronate disodium	[no description available]	medium	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
mafenide acetate	[no description available]	medium	1	0	carboxylic acid
diacerein	[no description available]	medium	1	0	anthraquinone
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
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
nitazoxanide	[no description available]	medium	1	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
talniflumate	[no description available]	medium	1	0	benzofurans
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
cabergoline	[no description available]	medium	1	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
adapalene	[no description available]	medium	1	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
aromasil	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
gemcitabine hydrochloride	[no description available]	medium	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
atorvastatin calcium anhydrous	[no description available]	medium	1	0	organic calcium salt
duloxetine hydrochloride	[no description available]	medium	1	0	duloxetine hydrochloride	antidepressant
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
bupivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
plerixafor	[no description available]	medium	1	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
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
miconazole nitrate	[no description available]	medium	1	0
artemisinin	[no description available]	medium	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide	[no description available]	medium	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
uroxatral	[no description available]	medium	1	0	hydrochloride
thiocolchicoside	[no description available]	medium	1	0	glycoside
doripenem	[no description available]	medium	1	0	carbapenems
tamiflu	[no description available]	medium	1	0	phosphate salt
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098	[no description available]	medium	1	0	acetamides
flunisolide	[no description available]	medium	1	0	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
gliquidone	[no description available]	medium	1	0	isoquinolines
moxifloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antibacterial drug
fulvestrant	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
racecadotril	[no description available]	medium	1	0	N-acyl-amino acid
tadalafil	[no description available]	medium	1	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
plavix	[no description available]	medium	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
pramipexole	[no description available]	medium	1	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
valdecoxib	[no description available]	medium	1	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
abiraterone	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat	[no description available]	medium	1	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro	[no description available]	medium	1	0
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
telbivudine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ramelteon	[no description available]	medium	1	0	indanes
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
pemirolast potassium salt	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
loteprednol etabonate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
valrubicin	[no description available]	medium	1	0	anthracycline; trifluoroacetamide
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
trilostane	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	medium	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
eszopiclone	[no description available]	medium	1	0	zopiclone	central nervous system depressant; sedative
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
latoconazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug
toremifene citrate	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
azilect	[no description available]	medium	1	0
dasatinib	[no description available]	medium	1	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
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
travoprost	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
imipenem	[no description available]	medium	1	0	carbapenems
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
rosuvastatin calcium	[no description available]	medium	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
acipimox	[no description available]	medium	1	0	pyrazinecarboxylic acid
atosiban	[no description available]	medium	1	0	oligopeptide
bimatoprost	[no description available]	medium	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
cci 15641	[no description available]	medium	1	0	cephalosporin
tenofovir disoproxil fumarate	[no description available]	medium	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
dexbrompheniramine maleate	[no description available]	medium	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
fluphenazine	[no description available]	medium	1	0
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1	0
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
dutasteride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna	[no description available]	medium	1	0	fumarate salt	antihypertensive agent
vildagliptin	[no description available]	medium	1	0	amino acid amide
sgd 301-76	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
gemifloxacin mesylate	[no description available]	medium	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
rivaroxaban	[no description available]	medium	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib	[no description available]	medium	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib	[no description available]	medium	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
amg 009	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
losartan potassium	[no description available]	medium	2	0
dactolisib	[no description available]	medium	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone
warfarin sodium	[no description available]	medium	1	0
pravastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium	[no description available]	medium	1	0
sl 80.0750	[no description available]	medium	1	0
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
valtrex	[no description available]	medium	1	0	organic molecular entity
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
fluoroacetic acid	[no description available]	medium	1	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
alanine	[no description available]	medium	4	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
trifluoroethanol	[no description available]	medium	1	0	fluoroalcohol
1-chloro-2-nitrobenzene	[no description available]	medium	1	0	C-nitro compound; monochlorobenzenes
phenetole	[no description available]	medium	1	0	aromatic ether
2-chloropyridine	[no description available]	medium	1	0	monochloropyridine
tetrafluoroethylene	[no description available]	medium	1	0	fluorocarbon
hexafluoropropene	[no description available]	medium	1	0
2-bromopropionic acid, (dl)-isomer	[no description available]	medium	1	0
2-chloropropionic acid	[no description available]	medium	1	0
alpha-fluoro-beta-alanine	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
7-ethoxycoumarin	[no description available]	medium	8	0	aromatic ether; coumarins
perfluoroisobutylene	[no description available]	medium	1	0
fludioxonil	[no description available]	medium	1	0	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
2,6-diamino-9-(2-hydroxyethoxymethyl)purine	[no description available]	medium	1	0
pa 824	[no description available]	medium	1	0
3,3,3-trifluoroalanine	[no description available]	medium	1	0
benzyloxycarbonyl-phe-ala-fluormethylketone	[no description available]	medium	1	0
fluticasone furoate	[no description available]	medium	1	0	11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester	anti-allergic agent; anti-asthmatic drug; prodrug
10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone	[no description available]	medium	1	0	anthracenes
anacetrapib	[no description available]	medium	1	0
lumacaftor	[no description available]	medium	1	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
ketoconazole	[no description available]	medium	3	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
afimoxifene	[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
gsk525762a	[no description available]	medium	1	0	benzodiazepine
tranylcypromine	[no description available]	medium	3	0	2-phenylcyclopropan-1-amine
2-acetylbenzothiophene	[no description available]	medium	1	0
beta-naphthoflavone	[no description available]	medium	6	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
etravirine	[no description available]	medium	2	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide	[no description available]	medium	2	0	benzamides
rilpivirine	[no description available]	medium	2	0	aminopyrimidine; nitrile	EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor
doravirine	[no description available]	medium	1	0
n-vinyl-2-pyrrolidinone	[no description available]	medium	5	0	pyrrolidin-2-ones
betadex	[no description available]	medium	3	0	cyclodextrin
pyrazolone	[no description available]	medium	4	0
dikalm	[no description available]	medium	1	0
ammonium hydroxide	[no description available]	medium	3	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
nitrites	[no description available]	medium	9	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
gold	[no description available]	medium	19	0	copper group element atom; elemental gold
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
molybdenum	[no description available]	medium	1	0	chromium group element atom	micronutrient
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
heroin	[no description available]	medium	5	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
etonitazene	[no description available]	medium	1	0
aluminum	[no description available]	medium	2	1	boron group element atom; elemental aluminium; metal atom
1,2-benzisothiazoline-3-one	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound	disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic
suberosin	[no description available]	medium	1	0	aromatic ether; coumarins	anticoagulant; plant metabolite
saccharolactone	[no description available]	medium	1	0	aldarolactone; delta-lactone
uridine diphosphate glucuronic acid	[no description available]	medium	1	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
nadp	[no description available]	medium	16	0
emerimicins	[no description available]	medium	1	0
bismuth	[no description available]	medium	2	0	metal atom; pnictogen
cupric sulfide	[no description available]	medium	1	0
cilnidipine	[no description available]	medium	1	0	2-methoxyethyl ester; C-nitro compound; dihydropyridine	antihypertensive agent; calcium channel blocker; cardiovascular drug
dihydropyridines	[no description available]	medium	1	0
arsenic	[no description available]	medium	3	0	metalloid atom; pnictogen	micronutrient
aristolochic acid i	[no description available]	medium	3	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
7,3'-dihydroxy-4'-methoxyisoflavone	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
4-nitrophenyl acetate	[no description available]	medium	1	0	C-nitro compound; phenyl acetates
4-methylumbelliferyl acetate	[no description available]	medium	1	0	acetate ester; coumarins	plant metabolite
nitrophenols	[no description available]	medium	8	0
imidazole	[no description available]	medium	1	0	imidazole
glaucine	[no description available]	medium	1	0	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite
tetramisole	[no description available]	medium	2	0	imidazothiazole	environmental contaminant; xenobiotic
ecgonine methyl ester	[no description available]	medium	1	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
benzoylecgonine	[no description available]	medium	1	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
neo-gambogic acid	[no description available]	medium	1	0
xanthenes	[no description available]	medium	1	0	xanthene
lignans	[no description available]	medium	2	0
honokiol	[no description available]	medium	2	0	biphenyls
magnolol	[no description available]	medium	1	0	biphenyls
3-n-butylphthalide	[no description available]	medium	1	0	benzofurans
benzofurans	[no description available]	medium	3	0
triazoles	[no description available]	medium	6	0	1,2,3-triazole
angelicin	[no description available]	medium	1	0	furanocoumarin
ficusin	[no description available]	medium	1	0	psoralens	plant metabolite
hydrogen sulfide	[no description available]	medium	1	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
n-acetyl-4-benzoquinoneimine	[no description available]	medium	4	0	ketoimine; quinone imine
zinc oxide	[no description available]	medium	1	0	zinc molecular entity
chalcone	[no description available]	medium	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
hydroxysafflor yellow a	[no description available]	medium	1	0
icaritin	[no description available]	medium	1	0
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
vitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
erlotinib hydrochloride	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
dimethoate	[no description available]	medium	1	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
ethoxyresorufin	[no description available]	medium	7	0	phenoxazine
enrofloxacin	[no description available]	medium	1	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
rifamycins	[no description available]	medium	1	0
phenyl acetate	[no description available]	medium	12	0	benzenes; phenyl acetates
acetonitrile	[no description available]	medium	3	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
formic acid	[no description available]	medium	2	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
cytochrome c-t	[no description available]	medium	1	0
evodiamine	[no description available]	medium	1	0	beta-carbolines
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
hydroxyl radical	[no description available]	medium	1	0	oxygen hydride; oxygen radical; reactive oxygen species
caffeic acid	[no description available]	medium	1	0	caffeic acid	geroprotector; mouse metabolite
isoxazoles	[no description available]	medium	2	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
carboxytolbutamide	[no description available]	medium	1	0	sulfonamide
antofloxacin	[no description available]	medium	1	0
tanshinone	[no description available]	medium	2	0	abietane diterpenoid	anticoronaviral agent
1,7-phenanthroline	[no description available]	medium	3	0	phenanthroline
phenanthrenes	[no description available]	medium	6	0
nad	[no description available]	medium	5	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
indigo carmine	[no description available]	medium	2	0
7-hydroxycoumarin	[no description available]	medium	2	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
heme	[no description available]	medium	3	0
4-nitrophenol	[no description available]	medium	4	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
salicylates	[no description available]	medium	109	3	monohydroxybenzoate	plant metabolite
methylcellulose	[no description available]	medium	4	0
hydroxypropylmethylcellulose acetate succinate	[no description available]	medium	1	0
nuciferine	[no description available]	medium	1	0
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
6-methoxy-8-(3-diethylaminopropylamino)quinoline	[no description available]	medium	1	0	aminoquinoline
dulcin	[no description available]	medium	1	0	ureas
pirarubicin	[no description available]	medium	1	0	anthracycline
albendazole sulfoxide	[no description available]	medium	1	0	sulfoxide
cryptotanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
salvianolic acid B	[no description available]	medium	1	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
valerylsalicylate	[no description available]	medium	1	0	benzoic acids; salicylates; valerate ester	cyclooxygenase 1 inhibitor
lorglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative
scutellarin	[no description available]	medium	1	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
pyrroles	[no description available]	medium	8	6	pyrrole; secondary amine
transforming growth factor beta	[no description available]	medium	1	0
1-hydroxy-2,3,5-trimethoxyxanthene	[no description available]	medium	1	0
hydrogen	[no description available]	medium	2	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
organophosphonates	[no description available]	medium	1	0	divalent inorganic anion; phosphite ion
miltirone	[no description available]	medium	1	0	abietane diterpenoid
beta-escin	[no description available]	medium	1	0
astragaloside a	[no description available]	medium	1	0
allyl sulfide	[no description available]	medium	1	0	organic sulfide
huperzine a	[no description available]	medium	1	0	quinolone
sesquiterpenes	[no description available]	medium	1	0
orobol	[no description available]	medium	1	0	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger
benzyl benzoate	[no description available]	medium	1	0	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
cardiovascular agents	[no description available]	medium	5	0
4-methylacetanilide	[no description available]	medium	1	0	acetamides; toluenes
theobromine	[no description available]	medium	4	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
barbituric acid	[no description available]	medium	4	0	barbiturates	allergen; xenobiotic
mephenesin	[no description available]	medium	3	0	aromatic ether; glycerol ether
iodine	[no description available]	medium	4	0	diatomic iodine	nutrient
methacetin	[no description available]	medium	3	0	acetamides; aromatic ether
4-hydroxyisophthalic acid	[no description available]	medium	1	0
bradykinin	[no description available]	medium	5	0	oligopeptide	human blood serum metabolite; vasodilator agent
pyrithyldione	[no description available]	medium	2	0	tetrahydropyridine
carbamates	[no description available]	medium	2	0	amino-acid anion
phenyltoloxamine	[no description available]	medium	1	0	diarylmethane
aceturic acid	[no description available]	medium	1	0	N-acetyl-amino acid; N-acylglycine	human metabolite
pentylenetetrazole	[no description available]	medium	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
bemegride	[no description available]	medium	2	0	piperidones
azacyclonol	[no description available]	medium	1	0	diarylmethane
piperidines	[no description available]	medium	9	2
kaolinite	[no description available]	medium	2	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
vitamin b 12	[no description available]	medium	2	0
sulfur	[no description available]	medium	2	0	chalcogen; nonmetal atom	macronutrient
methysergide	[no description available]	medium	11	1	ergoline alkaloid
vitamin k 1	[no description available]	medium	1	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
bromide	[no description available]	medium	4	0	halide anion; monoatomic bromine
cysteine	[no description available]	medium	5	0	cysteinium	fundamental metabolite
ergothioneine	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
thiethylperazine	[no description available]	medium	2	0	N-methylpiperazine; phenothiazines	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
iodohippuric acid	[no description available]	medium	2	0	benzamides; N-acylglycine; organoiodine compound
sennoside a&b	[no description available]	medium	1	0
phthalic acid	[no description available]	medium	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
methylene blue	[no description available]	medium	4	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
sodium salicylate	[no description available]	medium	12	0	organic molecular entity
ethoheptazine	[no description available]	medium	1	0	azepanes
isoflurophate	[no description available]	medium	1	0	dialkyl phosphate
stearic acid	[no description available]	medium	3	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
phenylbutazone, propyphenazone drug combination	[no description available]	medium	1	0
glycogen	[no description available]	medium	2	0
phenylbenzoquinone	[no description available]	medium	1	0
oxymatrine	[no description available]	medium	1	0
4-o-methyl-12-o-tetradecanoylphorbol 13-acetate	[no description available]	medium	1	0
tetradecanoylphorbol acetate	[no description available]	medium	1	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
thromboxane b2	[no description available]	medium	1	0	thromboxanes B	human metabolite; mouse metabolite
chlorine	[no description available]	medium	5	0	diatomic chlorine; gas molecular entity	bleaching agent
bromine	[no description available]	medium	2	0	diatomic bromine
dl 111-it	[no description available]	medium	1	0
carbazole	[no description available]	medium	1	0	carbazole
sulfuric acid	[no description available]	medium	1	0	sulfur oxoacid	catalyst
4'-hydroxydiclofenac	[no description available]	medium	1	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
lauric acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
7-ethoxy-4-trifluoromethylcoumarin	[no description available]	medium	1	0
tetracyanoethylene	[no description available]	medium	1	0
pamabrom	[no description available]	medium	1	0
1-octanol	[no description available]	medium	1	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
2,2'-azobis(2-amidinopropane)	[no description available]	medium	1	0	monoazo compound
crocin	[no description available]	medium	1	0
gentamicin	[no description available]	medium	2	0
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
cadmium chloride	[no description available]	medium	1	0	cadmium coordination entity
cupric chloride	[no description available]	medium	1	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
cellulose	[no description available]	medium	6	0	glycoside
arachidonic acid	[no description available]	medium	4	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
sc 560	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
dextrorphan	[no description available]	medium	1	0	morphinane alkaloid
buprenorphine	[no description available]	medium	1	0	morphinane alkaloid	delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic
7-methoxyresorufin	[no description available]	medium	1	0
salophen	[no description available]	medium	1	0	carbonyl compound
helium	[no description available]	medium	1	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
naphthoquinones	[no description available]	medium	4	0
methoxamine	[no description available]	medium	1	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
nitrates	[no description available]	medium	3	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
chromates	[no description available]	medium	1	0	chromium oxoanion; divalent inorganic anion	oxidising agent
hydrochloric acid	[no description available]	medium	4	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
n-hydroxyphenacetin	[no description available]	medium	17	0
magnesium carbonate	[no description available]	medium	1	0	carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt	antacid; fertilizer
carbonates	[no description available]	medium	3	1	carbon oxoanion
aspirin, butalbital and caffeine drug combination	[no description available]	medium	13	3
bis(4-nitrophenyl)phosphate	[no description available]	medium	1	0	aryl phosphate
galactose	[no description available]	medium	1	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
pentazocine	[no description available]	medium	11	2	benzazocine
1,3-diphenylisobenzofuran	[no description available]	medium	1	0
acrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
4-nitrosophenetole	[no description available]	medium	12	0
hydrocodone	[no description available]	medium	2	1	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic
cadmium	[no description available]	medium	2	0	cadmium molecular entity; zinc group element atom
fanft	[no description available]	medium	2	0
saccharin	[no description available]	medium	3	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
ovalbumin	[no description available]	medium	4	0
hydroxyacetylaminofluorene	[no description available]	medium	7	0	2-acetamidofluorenes
n-methyl-4-aminoazobenzene	[no description available]	medium	1	0
p-aminoazobenzene	[no description available]	medium	2	0
4-nitroquinoline-1-oxide	[no description available]	medium	1	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
2-naphthylamine	[no description available]	medium	2	0	naphthylamine	carcinogenic agent
potassium phosphate	[no description available]	medium	1	0	inorganic phosphate salt; inorganic potassium salt
thymidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1-aminopyrene	[no description available]	medium	1	0
benzoxazoles	[no description available]	medium	1	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
chlorates	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
n-hydroxyacetaminophen	[no description available]	medium	2	0
paraoxon	[no description available]	medium	1	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
1,2-epoxybutane	[no description available]	medium	1	0	epoxide
2-anthramine	[no description available]	medium	1	0	anthracenamine
n-nitrosopiperidine	[no description available]	medium	1	0	nitrosamine; piperidine	apoptosis inducer; carcinogenic agent; environmental contaminant; mutagen
propyphenazone	[no description available]	medium	1	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
propyphenazone	[no description available]	medium	1	1	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
cyclamic acid	[no description available]	medium	4	0	sulfamic acids	environmental contaminant; human xenobiotic metabolite
deuterium	[no description available]	medium	9	0	dihydrogen
cinnamedrine	[no description available]	medium	1	0
diacetamate	[no description available]	medium	1	0
maleic anhydride	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; furans	allergen
4-nitroacetanilide	[no description available]	medium	1	0
oxalates	[no description available]	medium	2	0
4-anisaldehyde	[no description available]	medium	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
n-hydroxy-4-acetylaminobiphenyl	[no description available]	medium	2	0	hydroxamic acid
vitamin k semiquinone radical	[no description available]	medium	4	0
butyraldehyde	[no description available]	medium	1	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
diisopropanolnitrosamine	[no description available]	medium	1	0	diol; nitrosamine; secondary alcohol	carcinogenic agent
cyclosporine	[no description available]	medium	2	0
atipamezole	[no description available]	medium	1	0
butylhydroxybutylnitrosamine	[no description available]	medium	4	0	nitrosamine; primary alcohol	carcinogenic agent
1,3,7-trimethylurate	[no description available]	medium	1	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
1,7-dimethylxanthine	[no description available]	medium	2	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline	[no description available]	medium	1	1	aromatic amine; imidazoquinoxaline	carcinogenic agent; genotoxin; Maillard reaction product; mutagen
quinoxalines	[no description available]	medium	1	1	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	medium	1	1	imidazopyridine; primary amino compound	carcinogenic agent; mutagen
dinitrochlorobenzene	[no description available]	medium	1	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
s-(2,4-dinitrophenyl)glutathione	[no description available]	medium	1	0	glutathione conjugate
concanavalin a	[no description available]	medium	1	0
thymosin	[no description available]	medium	1	0
1,4-dioxane	[no description available]	medium	2	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
8-fluorociprofloxacin	[no description available]	medium	1	0
venlafaxine hydrochloride	[no description available]	medium	1	0	hydrochloride
cyclohexanol	[no description available]	medium	1	0	cyclohexanols; secondary alcohol	solvent
monoacetyldapsone	[no description available]	medium	1	0	acetamides; anilide; secondary carboxamide; sulfone
ethylmorphine	[no description available]	medium	2	0	morphinane alkaloid
benzphetamine	[no description available]	medium	3	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
pentoxyresorufin	[no description available]	medium	1	0
phosphoric acid	[no description available]	medium	2	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
octadecylsilane	[no description available]	medium	1	0
mequitazine	[no description available]	medium	1	0	phenothiazines
1,2-naphthoquinone-4-sulfonate	[no description available]	medium	1	0	arenesulfonic acid; naphthalenone	colorimetric reagent
tryptamine	[no description available]	medium	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
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
phenanthrene	[no description available]	medium	1	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
eudragit rs	[no description available]	medium	2	0
methylnitrosourea	[no description available]	medium	1	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
cyclin d1	[no description available]	medium	1	0
nitrilotriacetic acid	[no description available]	medium	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
potassium bromate	[no description available]	medium	1	0	bromate salt; potassium salt	flour treatment agent
bromates	[no description available]	medium	1	0	bromine oxoanion; monovalent inorganic anion
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
n-(phenylsulfonyl)glycine	[no description available]	medium	1	0
nicotinohydroxamic acid	[no description available]	medium	1	0	pyridinecarboxamide
flavin-adenine dinucleotide	[no description available]	medium	1	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
salicylhydroxamic acid	[no description available]	medium	1	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
carbon monoxide	[no description available]	medium	4	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
tert-butylhydroperoxide	[no description available]	medium	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
delphinidin	[no description available]	medium	3	0	anthocyanidin chloride
sodium citrate, anhydrous	[no description available]	medium	1	0	organic sodium salt	anticoagulant; flavouring agent
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
8-phenyltheophylline	[no description available]	medium	1	0
1-methylxanthine	[no description available]	medium	1	0	1-methylxanthine	mouse metabolite
flavone	[no description available]	medium	1	0	flavones	metabolite; nematicide
nitrous acid	[no description available]	medium	1	0	nitrogen oxoacid
cobalt	[no description available]	medium	3	0	cobalt group element atom; metal allergen	micronutrient
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acriflavine	[no description available]	medium	1	0
tricalcium phosphate	[no description available]	medium	1	0	calcium phosphate
hydrogen carbonate	[no description available]	medium	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ent-dextilidine	[no description available]	medium	1	0	ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
medazepam	[no description available]	medium	1	0	organic molecular entity
tyrosine	[no description available]	medium	3	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
mercaptoethanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	geroprotector
oxyphenisatin acetate	[no description available]	medium	1	0	benzoate ester; phenols
thiazoles	[no description available]	medium	2	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
cyanides	[no description available]	medium	5	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
lithium	[no description available]	medium	3	0	alkali metal atom
safrole	[no description available]	medium	2	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
acetarsol	[no description available]	medium	1	0	acetamides; anilide
lysophosphatidylcholines	[no description available]	medium	1	0	1-O-acyl-sn-glycero-3-phosphocholine
acid phosphatase	[no description available]	medium	3	0
acetone	[no description available]	medium	2	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
diphenoxylate	[no description available]	medium	2	1	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
methylnitronitrosoguanidine	[no description available]	medium	1	0	nitroso compound	alkylating agent
limestone	[no description available]	medium	1	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
guaifenesin	[no description available]	medium	1	0	methoxybenzenes
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
dichlorvos	[no description available]	medium	1	0	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
proadifen	[no description available]	medium	10	0	diarylmethane
pituitrin	[no description available]	medium	7	1
indophenol	[no description available]	medium	2	0	quinone imine	dye
ammonium sulfate	[no description available]	medium	1	0	ammonium salt; inorganic sulfate salt	fertilizer
perisoxal	[no description available]	medium	1	0	aralkylamine
oxazoles	[no description available]	medium	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
2-amino-3,4-dimethylimidazo(4,5-f)quinoline	[no description available]	medium	1	0	aminoquinoline
uroporphyrinogen iii	[no description available]	medium	1	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
nickel	[no description available]	medium	1	0	metal allergen; nickel group element atom	epitope; micronutrient
3-chloro-4-benzoyloxyphenylacetic acid	[no description available]	medium	2	0
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
hempa	[no description available]	medium	1	0	phosphoramide	insect sterilant; mutagen
isosafrole	[no description available]	medium	1	0	benzodioxoles
sq-18506	[no description available]	medium	1	0
nifuroxazide	[no description available]	medium	1	0	benzoic acids
perhexiline maleate	[no description available]	medium	1	0
benzo(a)pyrene	[no description available]	medium	3	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
1-aminobenzotriazole	[no description available]	medium	2	0
4-biphenylamine	[no description available]	medium	1	0	aminobiphenyl	carcinogenic agent
methylenebis(chloroaniline)	[no description available]	medium	1	0	chloroaniline	metabolite
carbon disulfide	[no description available]	medium	1	0	one-carbon compound; organosulfur compound
4,4'-dichlorobiphenyl	[no description available]	medium	1	0	dichlorobiphenyl; monochlorobenzenes
bucetin	[no description available]	medium	1	0	organic molecular entity
ethenzamide	[no description available]	medium	1	0	organic molecular entity
ethylmaleimide	[no description available]	medium	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
2-aminofluorene	[no description available]	medium	1	0
dithiothreitol	[no description available]	medium	1	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
phorone	[no description available]	medium	1	0	dialkenyl ketone
cobaltous chloride	[no description available]	medium	1	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
morphinans	[no description available]	medium	8	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
silver nitrate	[no description available]	medium	3	0	inorganic nitrate salt; silver salt	astringent
benactyzine	[no description available]	medium	1	0	diarylmethane
potassium chloride	[no description available]	medium	2	1	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
sarin	[no description available]	medium	1	0	fluorine molecular entity; phosphinic ester
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
tetrodotoxin	[no description available]	medium	1	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
pyrimidinones	[no description available]	medium	1	0
edetic acid	[no description available]	medium	2	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
silicon	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
alpha-chymotrypsin	[no description available]	medium	1	0
kallidin	[no description available]	medium	1	0	peptide
histidine	[no description available]	medium	1	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
phenazocine	[no description available]	medium	1	0
fumarates	[no description available]	medium	2	2	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
dihydrotachysterol	[no description available]	medium	1	0
desoxycorticosterone	[no description available]	medium	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
tremorine	[no description available]	medium	2	0	N-alkylpyrrolidine
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
chlorine	[no description available]	medium	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
thiosulfates	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
agar	[no description available]	medium	1	0
caseins	[no description available]	medium	1	0
furazolidone	[no description available]	medium	1	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
cyclazocine	[no description available]	medium	2	2
taurine	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
cerium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
levallorphan	[no description available]	medium	1	0	morphinane alkaloid
levorphanol	[no description available]	medium	1	0	morphinane alkaloid
glycosides	[no description available]	medium	1	0
diiodotyrosine	[no description available]	medium	1	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
isomethyleugenol	[no description available]	medium	4	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
trolamine salicylate	[no description available]	medium	13	1
4-methoxyamphetamine	[no description available]	medium	2	0
apnea	[no description available]	medium	2	0	purine nucleoside
iodinated glycerol	[no description available]	medium	2	0	dioxolane
cetylpyridinium chloride anhydrous	[no description available]	medium	1	0	chloride salt; organic chloride salt	antiseptic drug; surfactant
humulene	[no description available]	medium	1	0	alpha-humulene
sodium ethylxanthate	[no description available]	medium	1	0
acemetacin	[no description available]	low	0	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
ampyrone	[no description available]	low	0	0	primary amino compound; pyrazolone	antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
acetovanillone	[no description available]	low	0	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bufexamac	[no description available]	medium	0	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
kebuzone	[no description available]	low	0	0	methyl ketone; pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
proglumetacin	[no description available]	medium	0	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
suxibuzone	[no description available]	low	0	0	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug
2-thiosalicylic acid	[no description available]	low	0	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
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
mofebutazone	[no description available]	low	0	0	pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
clonixin	[no description available]	low	0	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
oxamethacin	[no description available]	medium	0	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin	[no description available]	low	0	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin meglumine	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dexibuprofen	[no description available]	low	0	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
fendosal	[no description available]	low	0	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tepoxalin	[no description available]	medium	0	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen calcium	[no description available]	low	0	0	hydrate	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lonazolac	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
miroprofen	[no description available]	low	0	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
dihydroergotamine mesylate	[no description available]	low	0	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
tetrahydropalmatine	[no description available]	low	0	0	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
friedelin	[no description available]	low	0	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parecoxib	[no description available]	low	0	0	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
salicin	[no description available]	low	0	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
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
dexketoprofen	[no description available]	low	0	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxol	[no description available]	medium	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deracoxib	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
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
parthenolide	[no description available]	low	0	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate	[no description available]	low	0	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
sodium bromfenac	[no description available]	low	0	0	hydrate	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tofisopam	[no description available]	low	0	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen sodium	[no description available]	low	0	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
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
chloroprocaine	[no description available]	low	0	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
propionylcarnitine	[no description available]	low	0	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
rosmarinic acid	[no description available]	low	0	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
n-acetylserotonin	[no description available]	low	0	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
n'-acetylspermine	[no description available]	low	0	0	acetamides; acetylspermine	human metabolite
6-chloromelatonin	[no description available]	low	0	0	acetamides
6-hydroxymelatonin	[no description available]	low	0	0	acetamides; tryptamines	metabolite; mouse metabolite
4-(acetylamino)benzeneacetic acid	[no description available]	low	0	0	acetamides; anilide
ci 994	[no description available]	low	0	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
colchicine, (+-)-isomer	[no description available]	low	0	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
gr 89696	[no description available]	low	0	0	acetamides
hexamethylene bisacetamide	[no description available]	low	0	0	acetamides
tropicamide	[no description available]	low	0	0	acetamides
talactoferrin alfa	[no description available]	low	0	0	acetamides
acedapsone	[no description available]	low	0	0	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
n-methylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	metabolite
acetopyrrothine	[no description available]	low	0	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
phenylbutyramide	[no description available]	low	0	0	acetamides
N-(2-methoxyphenyl)acetamide	[no description available]	low	0	0	acetamides; methoxybenzenes
arsthinol	[no description available]	low	0	0	acetamides; anilide
nithiamide	[no description available]	low	0	0	acetamides; aromatic amide
4'-(chloroacetyl)acetanilide	[no description available]	low	0	0	acetamides; alpha-chloroketone; aromatic ketone
2-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
n-ethylacetamide	[no description available]	low	0	0	acetamides	metabolite
ethyl n-alpha-acetyl-tyrosinate	[no description available]	low	0	0	acetamides; ethyl ester; L-tyrosine derivative; phenols
2-acetamidoethanethiol	[no description available]	low	0	0	acetamides	metabolite
n,n-diethylphenylacetamide	[no description available]	low	0	0	acetamides
trimethylcolchicinic acid methyl ether	[no description available]	low	0	0	acetamides; alkaloid; carbotricyclic compound
4-acetylaminofluorene	[no description available]	low	0	0	acetamides; fluorenes	mitogen
ioxitalamic acid	[no description available]	low	0	0	acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
bidisomide	[no description available]	low	0	0	acetamides
n(4)-acetylsulfadiazine	[no description available]	low	0	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
oseltamivir	[no description available]	low	0	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
6-sulfatoxymelatonin	[no description available]	low	0	0	acetamides
n-acetylaminoantipyrine	[no description available]	low	0	0	acetamides; pyrazoles	drug metabolite; marine xenobiotic metabolite
milnacipran	[no description available]	low	0	0	acetamides
N(4)-acetylsulfathiazole	[no description available]	low	0	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
glycolamide	[no description available]	low	0	0	acetamides
n-acetylhistamine	[no description available]	low	0	0	acetamides; imidazoles	human metabolite
n-acetyltryptamine	[no description available]	low	0	0	acetamides; indoles
acamprosate	[no description available]	low	0	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
guanfacine hydrochloride	[no description available]	low	0	0	acetamides	geroprotector
epanolol	[no description available]	low	0	0	acetamides
N-Acetylhomoveratrylamine	[no description available]	low	0	0	acetamides
acetaminophen mercapturate	[no description available]	low	0	0	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite
4-(hydroxyphenyl)acetamide	[no description available]	low	0	0	acetamides
n-acetyltryptophanamide	[no description available]	low	0	0	acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide
n-acetyldopamine	[no description available]	low	0	0	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate	[no description available]	low	0	0	acetamides; ethyl ester; tertiary carboxamide
n-acetylcytidine	[no description available]	low	0	0	acetamides; cytidines; secondary carboxamide	metabolite
2-iodomelatonin	[no description available]	low	0	0	acetamides
n-acetyltyramine	[no description available]	low	0	0	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor
luzindole	[no description available]	low	0	0	acetamides; indoles	melatonin receptor antagonist
acetylphenylalanyl-prolyl-boroarginine	[no description available]	low	0	0	acetamides; C-terminal boronic acid peptide; guanidines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
n',n''-diacetylspermine	[no description available]	low	0	0	acetamides
bcx 1812	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
acetyltaurine	[no description available]	low	0	0	acetamides; organosulfonic acid	human blood serum metabolite; human urinary metabolite
milnacipran hydrochloride	[no description available]	low	0	0	acetamides
n(4)-acetylsulfadimethoxine	[no description available]	low	0	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
monoacetylcadaverine	[no description available]	low	0	0	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite
N-hydroxy-2-phenylacetamide	[no description available]	low	0	0	acetamides
N-(1-phenylethyl)acetamide	[no description available]	low	0	0	acetamides; secondary carboxamide
gamma-lumicolchicine	[no description available]	low	0	0	acetamides; alkaloid; carbotricyclic compound
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid	[no description available]	low	0	0	acetamides
mr 16728	[no description available]	low	0	0	acetamides
ammodendrine	[no description available]	low	0	0	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent
laninamivir	[no description available]	low	0	0	acetamides
N-[2-(4-methoxyphenyl)ethyl]acetamide	[no description available]	low	0	0	acetamides
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide	[no description available]	low	0	0	acetamides; anilide
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide	[no description available]	low	0	0	acetamides; piperidines; pyridines; sulfonamide
2-(4-methoxyphenyl)-N-(phenylmethyl)-N-propan-2-ylacetamide	[no description available]	low	0	0	acetamides
N-[4-(4-morpholinylazo)phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide	[no description available]	low	0	0	acetamides; anilide
N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]acetamide	[no description available]	low	0	0	acetamides; aromatic amide
1-(1-azepanyl)-2-(4-bromophenyl)ethanone	[no description available]	low	0	0	acetamides
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide	[no description available]	low	0	0	acetamides
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide	[no description available]	low	0	0	acetamides
N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide	[no description available]	low	0	0	acetamides
2-(3-acetamidophenoxy)-N-phenylacetamide	[no description available]	low	0	0	acetamides; anilide
1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide	[no description available]	low	0	0	acetamides
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
1-[[2-(3-bromo-4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylthiourea	[no description available]	low	0	0	acetamides
4-(2,4-dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide	[no description available]	low	0	0	acetamides
2-acetamido-5-propyl-3-thiophenecarboxamide	[no description available]	low	0	0	acetamides; aromatic amide
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	[no description available]	low	0	0	acetamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	low	0	0	acetamides
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamide	[no description available]	low	0	0	acetamides
2-(4-chlorophenyl)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	[no description available]	low	0	0	acetamides
1-ethyl-3-[(1-oxo-2-phenylethyl)amino]thiourea	[no description available]	low	0	0	acetamides
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide	[no description available]	low	0	0	acetamides
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide	[no description available]	low	0	0	acetamides
2-(4-chlorophenyl)-N-[4-(difluoromethylthio)phenyl]acetamide	[no description available]	low	0	0	acetamides
N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
acetylthiourea	[no description available]	low	0	0	acetamides; thioureas
alpha-acetyllysine methyl ester	[no description available]	low	0	0	acetamides; alpha-amino acid ester; L-lysine derivative; methyl ester; primary amino compound
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone	[no description available]	low	0	0	acetamides
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide	[no description available]	low	0	0	acetamides
ici 199441	[no description available]	low	0	0	acetamides
N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone	[no description available]	low	0	0	acetamides
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide	[no description available]	low	0	0	acetamides
CID 3191469	[no description available]	low	0	0	acetamides; anilide	anticoronaviral agent
CID 3198732	[no description available]	low	0	0	acetamides; anilide	anticoronaviral agent
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone	[no description available]	low	0	0	acetamides
5-methoxycarbonylamino-n-acetyltryptamine	[no description available]	low	0	0	acetamides
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide	[no description available]	low	0	0	acetamides
N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
brl 52537	[no description available]	low	0	0	acetamides
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomer	[no description available]	low	0	0	acetamides
levomilnacipran	[no description available]	low	0	0	acetamides
andarine	[no description available]	low	0	0	acetamides; anilide
ro-28-1675	[no description available]	low	0	0	acetamides
holomycin	[no description available]	low	0	0	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite
N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide	[no description available]	low	0	0	acetamides; anilide
trametinib	[no description available]	low	0	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine	[no description available]	low	0	0	acetamides
2-acetamidoglucal	[no description available]	low	0	0	acetamides; glycal derivative	metabolite
3-[1-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	0	acetamides
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	0	acetamides
3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	0	acetamides
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	0	acetamides
n(alpha)-acetylfusarinines	[no description available]	low	0	0	2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol	siderophore
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide	[no description available]	low	0	0	acetamides; anilide
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide	[no description available]	low	0	0	acetamides; anilide
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide	[no description available]	low	0	0	acetamides
KOM70144	[no description available]	low	0	0	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	[no description available]	low	0	0	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
N-[4-[2-(2-oxolanylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	[no description available]	low	0	0	acetamides; anilide
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
win 52035	[no description available]	low	0	0	aromatic ether
win 52084	[no description available]	low	0	0	aromatic ether
5-(nonyloxy)tryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	serotonergic agonist
methylbufotenin	[no description available]	low	0	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
ro 48-8071	[no description available]	low	0	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite
bufetolol	[no description available]	low	0	0	aromatic ether
cgp 12177	[no description available]	low	0	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
cirazoline	[no description available]	low	0	0	aromatic ether
clofibric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
croconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes
cypermethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
racemethorphan	[no description available]	low	0	0	aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound
dibucaine	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dilacor xr	[no description available]	low	0	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
domiphen	[no description available]	low	0	0	aromatic ether
epirizole	[no description available]	low	0	0	aromatic ether
ethoxyquin	[no description available]	low	0	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
2-hexyloxybenzamide	[no description available]	low	0	0	aromatic ether; benzamides	antifungal agent
fenvalerate	[no description available]	low	0	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
gallamine triethiodide	[no description available]	low	0	0	aromatic ether
haloprogin	[no description available]	low	0	0	aromatic ether
ipriflavone	[no description available]	low	0	0	aromatic ether; isoflavones	bone density conservation agent
ly 171883	[no description available]	low	0	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
methoctramine	[no description available]	low	0	0	aromatic ether; tetramine	muscarinic antagonist
midodrine	[no description available]	low	0	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
nisoxetine	[no description available]	low	0	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	low	0	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
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
propoxur	[no description available]	low	0	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
pyrilamine	[no description available]	low	0	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
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
3,3',5-triiodothyropropionic acid	[no description available]	low	0	0	aromatic ether
visnagin	[no description available]	low	0	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
2-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols
mecoprop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
phenetidine	[no description available]	low	0	0	aromatic ether; substituted aniline
2-methyl-4-chlorophenoxy gamma-butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic
4-bromophenyl phenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
di-(4-aminophenyl)ether	[no description available]	low	0	0	aromatic ether
phenyl ether	[no description available]	low	0	0	aromatic ether	plant metabolite
diglycidyl resorcinol ether	[no description available]	low	0	0	aromatic ether
scoparone	[no description available]	low	0	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
dimethoxyphenylethylamine	[no description available]	low	0	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
dichlorprop	[no description available]	low	0	0	aromatic ether; dichlorobenzene; monocarboxylic acid
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
ethyl vanillin	[no description available]	low	0	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
benzethonium chloride	[no description available]	low	0	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant
peucedanin	[no description available]	low	0	0	aromatic ether; furanocoumarin; lactone	plant metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
3-anisidine	[no description available]	low	0	0	aromatic ether; substituted aniline
domiphen bromide	[no description available]	low	0	0	aromatic ether
dibrompropamidine	[no description available]	low	0	0	aromatic ether
4-Ethoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
bulbocapnine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
xylocholine	[no description available]	low	0	0	aromatic ether
3-methoxycatechol	[no description available]	low	0	0	aromatic ether; catechols	G-protein-coupled receptor agonist
2-phenoxypropanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
6-methoxyquinoline	[no description available]	low	0	0	aromatic ether; quinolines
heliamine	[no description available]	low	0	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
2,4,6-trichlorophenyl 4-nitrophenyl ether	[no description available]	low	0	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
etridiazol	[no description available]	low	0	0	aromatic ether; organochlorine compound; thiadiazole antifungal agent; thiadiazoles	antifungal agrochemical; nitrification inhibitor
toliprolol	[no description available]	low	0	0	aromatic ether
5-methoxyindoleacetic acid	[no description available]	low	0	0	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite
phenoxyacetic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
nafenopin	[no description available]	low	0	0	aromatic ether; monocarboxylic acid
methyl vanillate	[no description available]	low	0	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
5-methoxyindole-2-carboxylic acid	[no description available]	low	0	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite
2-isopropoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
1,2-epoxy-3-(p-nitrophenoxy)propane	[no description available]	low	0	0	aromatic ether; C-nitro compound; epoxide
laurolitsine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
ac 45594	[no description available]	low	0	0	aromatic ether
3-phenoxybenzylalcohol	[no description available]	low	0	0	aromatic ether; benzyl alcohols	marine xenobiotic metabolite
devrinol	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; naphthalenes
fluorodifen	[no description available]	low	0	0	aromatic ether
acridine half-mustard	[no description available]	low	0	0	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen
precocene i	[no description available]	low	0	0	aromatic ether; chromenes	plant metabolite; precocenes
oxadiazon	[no description available]	low	0	0	aromatic ether
lofexidine	[no description available]	low	0	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
phenylglycidyl ether	[no description available]	low	0	0	aromatic ether
phenoxyethanol	[no description available]	low	0	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
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
silybin	[no description available]	low	0	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
canadine	[no description available]	low	0	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
medifoxamine	[no description available]	low	0	0	aromatic ether
chlormethoxynil	[no description available]	low	0	0	aromatic ether
climbazole	[no description available]	low	0	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
4-hexyloxyaniline	[no description available]	low	0	0	aromatic ether; substituted aniline
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; monocarboxylic acid
oxyfluorofen	[no description available]	low	0	0	aromatic ether	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
triadimefon	[no description available]	low	0	0	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles
levobunolol	[no description available]	low	0	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
dichlorfop-methyl	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; methyl ester
decamethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
triadimenol	[no description available]	low	0	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
triclopyr	[no description available]	low	0	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic
st 1059	[no description available]	low	0	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
bopindolol	[no description available]	low	0	0	aromatic ether; benzoate ester; methylindole; secondary amino compound
fenpropathrin, (+-)-isomer	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
triflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
flutolanil	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fenoxaprop ethyl	[no description available]	low	0	0	aromatic ether
triclabendazole	[no description available]	low	0	0	aromatic ether
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
fluvalinate	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
haloxyfop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
fluazifop-butyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
quizalofop-ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative
cetamolol	[no description available]	low	0	0	aromatic ether
methyl bensulfuron	[no description available]	low	0	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
itraconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
loxtidine	[no description available]	low	0	0	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist
disoxaril	[no description available]	low	0	0	aromatic ether
chlorimuron ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
pioglitazone hydrochloride	[no description available]	low	0	0	aromatic ether
sulfametrole	[no description available]	low	0	0	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles
hexamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
fluazuron	[no description available]	low	0	0	aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas	acaricide; mite growth regulator
etiroxate	[no description available]	low	0	0	aromatic ether
etofamide	[no description available]	low	0	0	aromatic ether
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
esreboxetine	[no description available]	low	0	0	aromatic ether
guaethol	[no description available]	low	0	0	aromatic ether; phenols; volatile organic compound	flavouring agent
spiramide	[no description available]	low	0	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
5'-nitro-2'-propoxyacetanilide	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
toltrazuril	[no description available]	low	0	0	aromatic ether
plafibride	[no description available]	low	0	0	aromatic ether
cinitapride	[no description available]	low	0	0	aromatic ether; C-nitro compound
isoscopoletin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	plant metabolite
ethofenprox	[no description available]	low	0	0	aromatic ether	pyrethroid ether insecticide
fenoxypropazine	[no description available]	low	0	0	aromatic ether
fluphenacur	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
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
rubrofusarin	[no description available]	low	0	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite
triasulfuron	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
uvaretin	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
prochloraz	[no description available]	low	0	0	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
stictic acid	[no description available]	low	0	0	aromatic ether
pramoxine hydrochloride	[no description available]	low	0	0	aromatic ether
4-methoxybenzylamine	[no description available]	low	0	0	aralkylamino compound; aromatic ether; primary amino compound
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
adriamycinol	[no description available]	low	0	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite
difenoconazole	[no description available]	low	0	0	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
a 8947	[no description available]	low	0	0	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
thifluzamide	[no description available]	low	0	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ethylhydrocupreine	[no description available]	low	0	0	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
7,8-dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
4,5-dimethoxy-2-nitrobenzaldehyde	[no description available]	low	0	0	aromatic ether; C-nitro compound
bisphenol f diglycidyl ether	[no description available]	low	0	0	aromatic ether; diarylmethane; epoxide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
bitertanol	[no description available]	low	0	0	aromatic ether; biphenyls; secondary alcohol; triazoles
fluazifop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
diflufenican	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
hexafluoron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide
diethofencarb	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical
pyriproxyfen	[no description available]	low	0	0	aromatic ether; pyridines	juvenile hormone mimic
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	[no description available]	low	0	0	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
aclonifen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
cinosulfuron	[no description available]	low	0	0	aromatic ether
clodinafop-propargyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
vestitol	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite
laudanine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate
cryptopleurine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
6-hydroxymethylmexiletine	[no description available]	low	0	0	aromatic ether
4-hydroxymexiletine	[no description available]	low	0	0	aromatic ether; phenols
cloquintocet-mexyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines
novaluron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
bursehernin	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
2,2',4,4'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
allocryptopine	[no description available]	low	0	0	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound
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
syringaresinol	[no description available]	low	0	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite
p-methoxy-n-methylphenethylamine	[no description available]	low	0	0	aromatic ether; secondary amino compound	metabolite
aflatoxin q1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite
u 73122	[no description available]	low	0	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
cyfluthrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
norverapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; secondary amino compound
fumitremorgin a	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	mycotoxin
deguelin	[no description available]	low	0	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
aristolochic acid ii	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
tephrosin	[no description available]	low	0	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
alpha-hydroxymetoprolol	[no description available]	low	0	0	aromatic ether
5-(tetradecyloxy)-2-furancarboxylic acid	[no description available]	low	0	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist
5-hydroxymethylomeprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite
mosapride	[no description available]	low	0	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
ym 12617	[no description available]	low	0	0	aromatic ether; secondary amino compound; sulfonamide
cgp 28392	[no description available]	low	0	0	aromatic ether
sodium-binding benzofuran isophthalate	[no description available]	low	0	0	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome
garenoxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
reboxetine	[no description available]	low	0	0	aromatic ether
b 823-08	[no description available]	low	0	0	aromatic ether
cyclazosin	[no description available]	low	0	0	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist
ivabradine	[no description available]	low	0	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug
marsupsin	[no description available]	low	0	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
xibenolol	[no description available]	low	0	0	aromatic ether
cicloprolol	[no description available]	low	0	0	aromatic ether
chs 828	[no description available]	low	0	0	aromatic ether
2-(4-methoxyphenoxy)propanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
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
2,2',4,4',5,5'-hexabrominated diphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
birb 796	[no description available]	low	0	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
schizandrin b	[no description available]	low	0	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
s 23121	[no description available]	low	0	0	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound
acrovestone	[no description available]	low	0	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
corytuberine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	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
isohomovanillic acid	[no description available]	low	0	0	aromatic ether; phenols; phenylacetic acids	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
7,8-dihydro-5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
4-amino-2-methoxypyrimidine	[no description available]	low	0	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
aristolochic acid D	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
aminopotentidine	[no description available]	low	0	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist
aristolochic acid c	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
pluviatolide	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
erysodine	[no description available]	low	0	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
rubrofusarin B	[no description available]	low	0	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite
ly 293111	[no description available]	low	0	0	aromatic ether
enrasentan	[no description available]	low	0	0	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist
quizalofop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative
cyhalofop-butyl	[no description available]	low	0	0	aromatic ether
cyperin	[no description available]	low	0	0	aromatic ether
5-o-methyllicoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
pronuciferine	[no description available]	low	0	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
dronedarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
famoxadone	[no description available]	low	0	0	aromatic ether; carbohydrazide; oxazolidinone
cimicoxib	[no description available]	low	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
dabuzalgron	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes; sulfonamide	alpha-adrenergic agonist
fonsecin	[no description available]	low	0	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite
lasofoxifene	[no description available]	low	0	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
(+-)-Dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	[no description available]	low	0	0	aromatic ether; substituted aniline
chondocurine (1beta)-(+-)-isomer	[no description available]	low	0	0	aromatic ether
1-methyl-4-prop-2-enoxy-2-pyrimidinone	[no description available]	low	0	0	aromatic ether; pyrimidone
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
lariciresinol	[no description available]	low	0	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
tryptoquivaline	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
win 54954	[no description available]	low	0	0	aromatic ether
silychristin	[no description available]	low	0	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
bispyribac	[no description available]	low	0	0	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide
petunidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
stigmatellin	[no description available]	low	0	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
roflumilast	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
prinomastat	[no description available]	low	0	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
gancaonin I	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
glycyrin	[no description available]	low	0	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
glyasperin D	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite
licoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
egonol	[no description available]	low	0	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite
N-ethylharmine	[no description available]	low	0	0	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent
pf 1163a	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite
pf 1163b	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic	antifungal agent; Penicillium 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
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	[no description available]	low	0	0	aromatic ether
LSM-22807	[no description available]	low	0	0	aromatic ether
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	[no description available]	low	0	0	aromatic ether
piperlactam s	[no description available]	low	0	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one	[no description available]	low	0	0	aromatic ether
antofine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
xanthohumol	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
2-phenoxy-N-(2-pyridinyl)butanamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide	[no description available]	low	0	0	aromatic ether
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol	[no description available]	low	0	0	aromatic ether
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine	[no description available]	low	0	0	aromatic ether
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole	[no description available]	low	0	0	aromatic ether
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone	[no description available]	low	0	0	aromatic ether
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol	[no description available]	low	0	0	aromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	aromatic ether
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	[no description available]	low	0	0	aromatic ether; triazolothiadiazole
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one	[no description available]	low	0	0	aromatic ether
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione	[no description available]	low	0	0	aromatic ether
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester	[no description available]	low	0	0	aromatic ether
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine	[no description available]	low	0	0	aromatic ether
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester	[no description available]	low	0	0	aromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
4-(4-phenylmethoxyphenyl)thiadiazole	[no description available]	low	0	0	aromatic ether
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone	[no description available]	low	0	0	aromatic ether
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole	[no description available]	low	0	0	aromatic ether
curcumin	[no description available]	low	0	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine	[no description available]	low	0	0	aromatic ether
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide	[no description available]	low	0	0	aromatic ether
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone	[no description available]	low	0	0	aromatic ether
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide	[no description available]	low	0	0	aromatic ether
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone	[no description available]	low	0	0	aromatic ether
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide	[no description available]	low	0	0	aromatic ether
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
Src Inhibitor-1	[no description available]	low	0	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile	[no description available]	low	0	0	aromatic ether
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	aromatic ether
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline	[no description available]	low	0	0	aromatic ether
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile	[no description available]	low	0	0	aromatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole	[no description available]	low	0	0	aromatic ether
1-butyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide	[no description available]	low	0	0	aromatic ether
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine	[no description available]	low	0	0	aromatic ether
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine	[no description available]	low	0	0	aromatic ether
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	[no description available]	low	0	0	aromatic ether
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine	[no description available]	low	0	0	aromatic ether
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde	[no description available]	low	0	0	aromatic ether
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione	[no description available]	low	0	0	aromatic ether
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine	[no description available]	low	0	0	aromatic ether
N-butyl-4-phenoxy-1-butanamine	[no description available]	low	0	0	aromatic ether
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester	[no description available]	low	0	0	aromatic ether
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	[no description available]	low	0	0	aromatic ether
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester	[no description available]	low	0	0	aromatic ether
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine	[no description available]	low	0	0	aromatic ether
N4-(2-methoxyphenyl)benzene-1,4-diamine	[no description available]	low	0	0	aromatic ether; substituted aniline
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone	[no description available]	low	0	0	aromatic ether
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine	[no description available]	low	0	0	aromatic ether
5-(3-fluorophenoxy)-8-nitroisoquinoline	[no description available]	low	0	0	aromatic ether
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine	[no description available]	low	0	0	aromatic ether
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide	[no description available]	low	0	0	aromatic ether
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	[no description available]	low	0	0	aromatic ether
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide	[no description available]	low	0	0	aromatic ether
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone	[no description available]	low	0	0	aromatic ether
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one	[no description available]	low	0	0	aromatic ether
2-(4-aminophenoxy)isophthalonitrile	[no description available]	low	0	0	aromatic ether
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine	[no description available]	low	0	0	aromatic ether
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide	[no description available]	low	0	0	aromatic ether
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea	[no description available]	low	0	0	aromatic ether
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol	[no description available]	low	0	0	aromatic ether
1-[4-(3-ethoxyphenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide	[no description available]	low	0	0	aromatic ether
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide	[no description available]	low	0	0	aromatic ether
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide	[no description available]	low	0	0	aromatic ether
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide	[no description available]	low	0	0	aromatic ether
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
dieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
tamoxifen n-oxide	[no description available]	low	0	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
diafenthiuron	[no description available]	low	0	0	aromatic ether; thiourea acaricide; thiourea insecticide	oxidative phosphorylation inhibitor; proinsecticide
ospemifene	[no description available]	low	0	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator
tandutinib	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
adefovir	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide	[no description available]	low	0	0	aromatic ether
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide	[no description available]	low	0	0	aromatic ether
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea	[no description available]	low	0	0	aromatic ether
quinoxyfen	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical
nafadotride	[no description available]	low	0	0	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-methyl-1,3-bis(phenylmethoxy)benzene	[no description available]	low	0	0	aromatic ether
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea	[no description available]	low	0	0	aromatic ether
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine	[no description available]	low	0	0	aromatic ether
1-[4-(2-chlorophenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide	[no description available]	low	0	0	aromatic ether
hydroxypioglitazone	[no description available]	low	0	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite
sc-19220	[no description available]	low	0	0	aromatic ether
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide	[no description available]	low	0	0	aromatic ether
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	[no description available]	low	0	0	aromatic ether; substituted aniline
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol	[no description available]	low	0	0	aromatic ether
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene	[no description available]	low	0	0	aromatic ether
fraxin	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite
fraxetin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
jtk-303	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
coniferin	[no description available]	low	0	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite
daphnoretin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
kavain	[no description available]	low	0	0	2-pyranones; aromatic ether
methysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
yangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
hinokiflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
gentiacaulein	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
gentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
isogentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
swerchirin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
1,2,8-trihydroxy-6-methoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
wedelolactone	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
cyhalothrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
neticonazole	[no description available]	low	0	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
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
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile	[no description available]	low	0	0	aromatic ether
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
glycycoumarin	[no description available]	low	0	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
isoginkgetin	[no description available]	low	0	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
neoglycyrol	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
bosutinib	[no description available]	low	0	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
bw b70c	[no description available]	low	0	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
lichexanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
alternariol monomethyl ether	[no description available]	low	0	0	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin
decussatin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
bedaquiline	[no description available]	low	0	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
dimethomorph	[no description available]	low	0	0	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide
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
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
pradimicin a	[no description available]	low	0	0	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol
clodinafop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
ici 118551	[no description available]	low	0	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
ochnaflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide	[no description available]	low	0	0	aromatic ether
flavasperone	[no description available]	low	0	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite
4-hydroxycordoin	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite
n-feruloylserotonin	[no description available]	low	0	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
tyrphostin ag825	[no description available]	low	0	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist
kresoxim-methyl	[no description available]	low	0	0	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
5-methoxy-3,6-diphenyl-1,2,4-triazine	[no description available]	low	0	0	aromatic ether
pyrachlostrobin	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
piericidin a	[no description available]	low	0	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
metrafenone	[no description available]	low	0	0	aromatic ether; aryl phenyl ketone fungicide; benzophenones; organobromine compound	antifungal agrochemical
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes
b 43	[no description available]	low	0	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
5-(4-phenylbutoxy)psoralen	[no description available]	low	0	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
5-ia-85380	[no description available]	low	0	0	aromatic ether
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
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
altenusin	[no description available]	low	0	0	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite
gw 501516	[no description available]	low	0	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
camostat	[no description available]	low	0	0	aromatic ether; phenols
lenvatinib	[no description available]	low	0	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
nsc 716970	[no description available]	low	0	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent
lobeglitazone	[no description available]	low	0	0	aromatic ether
noviflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound
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
9-methoxycanthin-6-one	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
sb 3ct compound	[no description available]	low	0	0	aromatic ether
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
dapagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
naveglitazar	[no description available]	low	0	0	aromatic ether
tivozanib	[no description available]	low	0	0	aromatic ether
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
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
hypothemycin	[no description available]	low	0	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
tryprostatin a	[no description available]	low	0	0	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor
cediranib	[no description available]	low	0	0	aromatic ether
3-iodothyronamine	[no description available]	low	0	0	aromatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	[no description available]	low	0	0	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator
rubraxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
7,8-Dihydroyangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
sch 51344	[no description available]	low	0	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
ancistroealaine a	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
pimavanserin	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
tolfenpyrad	[no description available]	low	0	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor
SIS3 free base	[no description available]	low	0	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor
apixaban	[no description available]	low	0	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
dihydrokavain	[no description available]	low	0	0	2-pyranones; aromatic ether
troglitazone sulfate	[no description available]	low	0	0	aromatic ether; thiazolidinone
arisugacin	[no description available]	low	0	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium 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
fonsecinone a	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite
crenolanib	[no description available]	low	0	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
aiphanol	[no description available]	low	0	0	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
nigerloxin	[no description available]	low	0	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
msdc-0160	[no description available]	low	0	0	aromatic ether
dihydroxanthohumol	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
PB28	[no description available]	low	0	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
7-phloroeckol	[no description available]	low	0	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
PDGF receptor tyrosine kinase inhibitor III	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
fluoxastrobin	[no description available]	low	0	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
flumorph	[no description available]	low	0	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide
regorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
erastin	[no description available]	low	0	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor
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
fg-4592	[no description available]	low	0	0	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
picoxystrobin	[no description available]	low	0	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
cenicriviroc	[no description available]	low	0	0	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist
mandipropamid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound
glyceryl ferulate	[no description available]	low	0	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
ki 8751	[no description available]	low	0	0	aromatic ether
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
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
dorsomorphin	[no description available]	low	0	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
cj-042794	[no description available]	low	0	0	aromatic ether
hu 308	[no description available]	low	0	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist
ki11502	[no description available]	low	0	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
apremilast	[no description available]	low	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
PF-00835231	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
chir-265	[no description available]	low	0	0	aromatic ether
aminocandin	[no description available]	low	0	0	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent
zk 756326	[no description available]	low	0	0	aromatic ether
bay 60-6583	[no description available]	low	0	0	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent
empagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide	[no description available]	low	0	0	aromatic ether
bgt226	[no description available]	low	0	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethylrosiglitazone	[no description available]	low	0	0	aromatic ether
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide	[no description available]	low	0	0	aromatic ether
verruculogen	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
2,2',4,5'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
hexabromodiphenyl ether 154	[no description available]	low	0	0	aromatic ether; organobromine compound
bde 183	[no description available]	low	0	0	aromatic ether; organobromine compound
l-798106	[no description available]	low	0	0	aromatic ether; bromobenzenes; N-sulfonylcarboxamide	prostaglandin receptor antagonist
aflatoxin m1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
macitentan	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides	antihypertensive agent; endothelin receptor antagonist; orphan drug
CDN1163	[no description available]	low	0	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
e 7050	[no description available]	low	0	0	aromatic ether
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine C	[no description available]	low	0	0	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor
dafadine B	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide	[no description available]	low	0	0	aromatic ether
violaceol II	[no description available]	low	0	0	aromatic ether; catechols; resorcinols	mycotoxin
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
gsk690693	[no description available]	low	0	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024	[no description available]	low	0	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
uk 453,061	[no description available]	low	0	0	aromatic ether
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	[no description available]	low	0	0	aromatic ether; coumarins; pyrrolidines; tertiary amino compound
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
compound w	[no description available]	low	0	0	aromatic ether
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
interiotherin b	[no description available]	low	0	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	[no description available]	low	0	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
ph 797804	[no description available]	low	0	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
diorcinol	[no description available]	low	0	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
mk 5108	[no description available]	low	0	0	aromatic ether
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone	[no description available]	low	0	0	aromatic ether
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor
dafadine D	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine O	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
pci 32765	[no description available]	low	0	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
florbetapir f 18	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
AMG-208	[no description available]	low	0	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor
6-methoxyspirotryprostatin b	[no description available]	low	0	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
lucitanib	[no description available]	low	0	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist
act-132577	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; sulfamides	antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite
cabozantinib	[no description available]	low	0	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; 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
gsk 2126458	[no description available]	low	0	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
gsk 1363089	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide	[no description available]	low	0	0	aromatic ether
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea	[no description available]	low	0	0	aromatic ether
monepantel	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
grazoprevir	[no description available]	low	0	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
hordatine a	[no description available]	low	0	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone	[no description available]	low	0	0	aromatic ether
tak-632	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor
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
quinolobactin	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
AZD1979	[no description available]	low	0	0	aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes	melanin-concentrating hormone receptor antagonist
ML240	[no description available]	low	0	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
aripiprazole lauroxil	[no description available]	low	0	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist
abt-199	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
xl765	[no description available]	low	0	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
DMH1	[no description available]	low	0	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor
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
pf 4800567	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
propenylphosphonic acid	[no description available]	low	0	0	aromatic ether
abt-333	[no description available]	low	0	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor
naloxegol	[no description available]	low	0	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
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
MK-8353	[no description available]	low	0	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein 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
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide	[no description available]	low	0	0	aromatic ether
saroglitazar	[no description available]	low	0	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist
fertaric acid	[no description available]	low	0	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles
pf-06463922	[no description available]	low	0	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
DDR1-IN-1	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
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
MLI-2	[no description available]	low	0	0	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187	[no description available]	low	0	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
tak 491	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug
azilsartan	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent
hydrazinocurcumin	[no description available]	low	0	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
mirodenafil	[no description available]	low	0	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
cerulomycin	[no description available]	low	0	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
sb-590885	[no description available]	low	0	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
PF-07304814	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug

Article	Year
No obvious toxicological influences of 50 μL microsampling from rats administered phenacetin as a drug with hematological toxicity. The Journal of toxicological sciences, Volume: 47, Issue: 5	2022
Acetaminophen Has Lipid Composition-Dependent Membrane Interactivity That Could Be Related to Nephrotoxicity but Not to Analgesic Activity and Hepatotoxicity. Medical principles and practice : international journal of the Kuwait University, Health Science Centre, Volume: 31, Issue: 2	2022
Construction of DOX/APC co-loaded BiOI@CuS NPs for safe and highly effective CT imaging and chemo-photothermal therapy of lung cancer. Journal of materials chemistry. B, 12-07, Volume: 7, Issue: 45	2019
[Role of Human Orphan Esterases in Drug-induced Toxicity]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, Volume: 135, Issue: 11	2015
Genotoxicity of phenacetin in the kidney and liver of Sprague-Dawley gpt delta transgenic rats in 26-week and 52-week repeated-dose studies. Toxicology, Oct-03, Volume: 324	2014
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
Developing structure-activity relationships for the prediction of hepatotoxicity. Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7	2010
Nuclear magnetic resonance spectroscopy as a quantitative tool to determine the concentrations of biologically produced metabolites: implications in metabolites in safety testing. Chemical research in toxicology, Volume: 22, Issue: 2	2009
Prevention of acetaminophen (APAP)-induced hepatotoxicity by leflunomide via inhibition of APAP biotransformation to N-acetyl-p-benzoquinone imine. Toxicology letters, Aug-28, Volume: 180, Issue: 3	2008
Long-term functional stability of human HepaRG hepatocytes and use for chronic toxicity and genotoxicity studies. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 6	2008
In vitro cytotoxicity assay with selected chemicals using human cells to predict target-organ toxicity of liver and kidney. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 21, Issue: 4	2007
Nonsteroidal anti-inflammatory drugs efficiently reduce the transport and cytotoxicity of adefovir mediated by the human renal organic anion transporter 1. The Journal of pharmacology and experimental therapeutics, Volume: 295, Issue: 1	2000
Role of CYP1A2 in the toxicity of long-term phenacetin feeding in mice. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 50, Issue: 1	1999
Hepatotoxicity of mild analgesics. British journal of clinical pharmacology, Volume: 10 Suppl 2	1980
Nephrotoxicity of mild analgesics in the Gunn strain of rat. British journal of clinical pharmacology, Volume: 10 Suppl 2	1980
Metabolic activation and genotoxicity of N-hydroxy-2-acetylaminofluorene and N-hydroxyphenacetin derivatives in Reuber (H4-II-E) hepatoma cells. Cancer research, Volume: 44, Issue: 3	1984
Evidence for the nephrotoxicity of analgesics. Canadian Medical Association journal, Oct-21, Volume: 107, Issue: 8	1972
Metabolism and nephrotoxicity of phenacetin and sulfanilamide. Journal of pharmacobio-dynamics, Volume: 8, Issue: 2	1985
Species differences in cytotoxic and genotoxic effects of phenacetin and paracetamol in primary monolayer cultures of hepatocytes. Mutation research, Volume: 164, Issue: 3	1986
In vivo inhibition of oxidative drug metabolism by, and acute toxicity of, 1-aminobenzotriazole (ABT). A tool for biochemical toxicology. Biochemical pharmacology, Jul-01, Volume: 37, Issue: 13	1988
Early cell proliferative and cytotoxic effects of phenacetin on rat nasal mucosa. Toxicology and applied pharmacology, Mar-15, Volume: 98, Issue: 1	1989
Study of the ability of phenacetin, acetaminophen, and aspirin to induce cytotoxicity, mutation, and morphological transformation in C3H/10T1/2 clone 8 mouse embryo cells. Cancer research, Feb-15, Volume: 49, Issue: 4	1989
Analgesic-induced renal papillary necrosis in the Gunn rat: the comparative nephrotoxicity of aspirin and phenacetin. The Journal of pathology, Volume: 120, Issue: 3	1976
[Side effects of nalidixic acid in a patient with severe renal failure. Clinical study and proposal of a pharmacokinetic model]. Schweizerische medizinische Wochenschrift, Mar-05, Volume: 107, Issue: 9	1977
Decreased toxicity of the N-methyl analogs of acetaminophen and phenacetin. Research communications in chemical pathology and pharmacology, Volume: 22, Issue: 1	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Phenacetin acts as a weak genotoxic compound preferentially in the kidney of DNA repair deficient Xpa mice. Mutation research, Apr-11, Volume: 596, Issue: 1-2	2006
Use of analgesics and risk of renal cell cancer. International journal of cancer, Nov-15, Volume: 59, Issue: 4	1994
International renal-cell cancer study. II. Analgesics. International journal of cancer, Jan-27, Volume: 60, Issue: 3	1995
Analgesics and cancers of the renal pelvis and ureter. International journal of cancer, Jul-04, Volume: 62, Issue: 1	1995
Analgesic nephropathy and phenacetin-induced transitional cell carcinoma - analysis of 300 patients with long-term consumption of phenacetin-containing drugs. European urology, Volume: 7, Issue: 6	1981
A population--based case--control study of renal cell carcinoma. Journal of the National Cancer Institute, Volume: 72, Issue: 2	1984
Cardiovascular lesions in Sprague-Dawley rats induced by long-term treatment with caffeine. Acta pathologica et microbiologica Scandinavica. Section A, Pathology, Volume: 89, Issue: 3	1981
Relation of analgesic use to renal cancer: population-based findings. National Cancer Institute monograph, Volume: 69	1985
Phenacetin and the liver. The influence of phenacetin in acute and chronic doses on membrane-bound mitochondrial enzymes in the rat. Enzyme, Volume: 21, Issue: 3	1976
[Formation of sulfhemoglobin using various drugs]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica, Volume: 71, Issue: 4	1975
Anti-inflammatory drugs and renal papillary necrosis. Agents and actions, Volume: 5, Issue: 4	1975
[Causes and consequences of long term consumption of phenacetin-containing analgesics, from the urologist's point of view (author's transl)]. Wiener klinische Wochenschrift. Supplementum, Volume: 104	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Analytical Method Development of Benzisothiazolinone, a Biocide, Using LC-MS/MS and a Pharmacokinetic Application in Rat Biological Matrices. Molecules (Basel, Switzerland), Jan-14, Volume: 28, Issue: 2	2023
Gut microbiota and host Cyp450s co-contribute to pharmacokinetic variability in mice with non-alcoholic steatohepatitis: Effects vary from drug to drug. Journal of advanced research, Volume: 39	2022
In vivo pharmacokinetic interaction by ethanolic extract of Gymnema sylvestre with CYP2C9 (Tolbutamide), CYP3A4 (Amlodipine) and CYP1A2 (Phenacetin) in rats. Chemico-biological interactions, Dec-25, Volume: 278	2017
Effects of MicroRNA-34a on the Pharmacokinetics of Cytochrome P450 Probe Drugs in Mice. Drug metabolism and disposition: the biological fate of chemicals, Volume: 45, Issue: 5	2017
Effects of Caffeic Acid and Quercetin on In Vitro Permeability, Metabolism and In Vivo Pharmacokinetics of Melatonin in Rats: Potential for Herb-Drug Interaction. European journal of drug metabolism and pharmacokinetics, Volume: 42, Issue: 5	2017
Prediction of inter-individual variability on the pharmacokinetics of CYP1A2 substrates in non-smoking healthy volunteers. Drug metabolism and pharmacokinetics, Volume: 31, Issue: 4	2016
Highly Sensitive LC-MS-MS Method for the Determination of Tacrine in Rat Plasma: Application to Pharmacokinetic Studies in Rats. Journal of chromatographic science, Volume: 54, Issue: 3	2016
Effect of Dimethoate on the Activity of Hepatic CYP450 Based on Pharmacokinetics of Probe Drugs. Pharmacology, Volume: 95, Issue: 5-6	2015
Investigation of omeprazole and phenacetin first-pass metabolism in humans using a microscale bioreactor and pharmacokinetic models. Biopharmaceutics & drug disposition, Volume: 36, Issue: 5	2015
Effects of vitexin on the pharmacokinetics and mRNA expression of CYP isozymes in rats. Phytotherapy research : PTR, Volume: 29, Issue: 3	2015
Pharmacokinetic of four probe drugs in adriamycin-induced nephropathy rat. European review for medical and pharmacological sciences, Volume: 18, Issue: 10	2014
Astragaloside IV inhibited the activity of CYP1A2 in liver microsomes and influenced theophylline pharmacokinetics in rats. The Journal of pharmacy and pharmacology, Volume: 65, Issue: 1	2013
Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance. Drug metabolism and disposition: the biological fate of chemicals, Volume: 40, Issue: 5	2012
Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs. Drug metabolism and disposition: the biological fate of chemicals, Volume: 40, Issue: 1	2012
Highly sensitive LC-MS/MS-ESI method for simultaneous quantitation of albendazole and ricobendazole in rat plasma and its application to a rat pharmacokinetic study. Biomedical chromatography : BMC, Volume: 26, Issue: 2	2012
Metabolite formation kinetics and intrinsic clearance of phenacetin, tolbutamide, alprazolam, and midazolam in adenoviral cytochrome P450-transfected HepG2 cells and comparison with hepatocytes and in vivo. Drug metabolism and disposition: the biological fate of chemicals, Volume: 38, Issue: 9	2010
First-principle, structure-based prediction of hepatic metabolic clearance values in human. European journal of medicinal chemistry, Volume: 44, Issue: 4	2009
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
Impaired clearance of phenacetin in hepatic cirrhosis and fibrosis. International journal of clinical pharmacology and therapeutics, Volume: 45, Issue: 1	2007
Comparison of intrinsic clearance in liver microsomes and hepatocytes from rats and humans: evaluation of free fraction and uptake in hepatocytes. Drug metabolism and disposition: the biological fate of chemicals, Volume: 34, Issue: 9	2006
HPLC analyses and pharmacokinetic studies of baicalin and oxymatrine in rabbits. Die Pharmazie, Volume: 58, Issue: 9	2003
Effects of retrograde flow on measured blood volume, Disse space, intracellular water space and drug extraction in the perfused rat liver: characterization by the multiple indicator dilution technique. The Journal of pharmacology and experimental therapeutics, Volume: 254, Issue: 3	1990
On the pharmacokinetics of phenacetin in man. European journal of clinical pharmacology, Apr-04, Volume: 8, Issue: 3-4	1975
[Side effects of nalidixic acid in a patient with severe renal failure. Clinical study and proposal of a pharmacokinetic model]. Schweizerische medizinische Wochenschrift, Mar-05, Volume: 107, Issue: 9	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The onset of action and the analgesic efficacy of Saridon (a propyphenazone/paracetamol/ caffeine combination) in comparison with paracetamol, ibuprofen, aspirin and placebo (pooled statistical analysis). Current medical research and opinion, Volume: 18, Issue: 1	2002
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Kinetic stability of amorphous solid dispersions with high content of the drug: A fast scanning calorimetry investigation. International journal of pharmaceutics, May-01, Volume: 562	2019
THE EFFECT OF METHANOL USED AS VEHICULUM ON SERUM PHENACETIN CONCENTRATION IN THE RAT. Acta poloniae pharmaceutica, Volume: 73, Issue: 5	2016
Enzyme-inducing effects of berberine on cytochrome P450 1A2 in vitro and in vivo. Life sciences, Nov-15, Volume: 189	2017
Investigation of omeprazole and phenacetin first-pass metabolism in humans using a microscale bioreactor and pharmacokinetic models. Biopharmaceutics & drug disposition, Volume: 36, Issue: 5	2015
Turpentine oil induced inflammation decreases absorption and increases distribution of phenacetin without altering its elimination process in rats. European journal of drug metabolism and pharmacokinetics, Volume: 40, Issue: 1	2015
Physicochemical characterisation, drug polymer dissolution and in vitro evaluation of phenacetin and phenylbutazone solid dispersions with polyethylene glycol 8000. Journal of pharmaceutical sciences, Volume: 100, Issue: 10	2011
L-arginine reverses alterations in drug disposition induced by spinal cord injury by increasing hepatic blood flow. Journal of neurotrauma, Volume: 24, Issue: 12	2007
In vivo effect of diallyl sulfide and cimetidine on phenacetin metabolism and bioavailability in rat. Acta biochimica Polonica, Volume: 49, Issue: 1	2002
[The formulation aspects of drug liberation]. Acta pharmaceutica Hungarica, Volume: 63, Issue: 3	1993
Rapid thin-layer chromatography of various weak analgesics in saliva. Journal of chromatography, Oct-09, Volume: 225, Issue: 2	1981
Kinetics and metabolism of paracetamol and phenacetin. British journal of clinical pharmacology, Volume: 10 Suppl 2	1980
On the pharmacokinetics of phenacetin in man. European journal of clinical pharmacology, Apr-04, Volume: 8, Issue: 3-4	1975
Intestinal metabolism of phenacetin in the rat: effect of charcoal-broiled beef and rat chow. Science (New York, N.Y.), Feb-28, Volume: 187, Issue: 4178	1975
Enhanced phenacetin metabolism in human subjects fed charcoal-broiled beef. Clinical pharmacology and therapeutics, Volume: 20, Issue: 6	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

phenacetin

Description

Cross-References

Synonyms (307)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (2)

Pathways (3)

Protein Targets (39)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (127)

Molecular Functions (78)

Ceullar Components (32)

Bioassays (201)

Research

Studies (2,228)

Study Types

Research Highlights

Safety/Toxicity (25)

Long-term Use (12)

Pharmacokinetics (24)

Onset of Action (1)

Bioavailability (17)

Dosage (29)

Interactions (8)

Article	Year
Acid-washed zero-valent aluminum as a highly efficient persulfate activator for degradation of phenacetin. Environmental science and pollution research international, Volume: 30, Issue: 7	2023
Effects of suberoylanilide hydroxamic acid on rat cytochrome P450 enzyme activities. International journal of clinical and experimental pathology, Volume: 8, Issue: 5	2015
Effect of Dimethoate on the Activity of Hepatic CYP450 Based on Pharmacokinetics of Probe Drugs. Pharmacology, Volume: 95, Issue: 5-6	2015
Phenacetin pharmacokinetics in CYP1A2-deficient beagle dogs. Drug metabolism and disposition: the biological fate of chemicals, Volume: 40, Issue: 2	2012
Analgesics use and ESRD in younger age: a case-control study. BMC nephrology, Dec-05, Volume: 8	2007
Toxicogenomics of drug-induced hemolytic anemia by analyzing gene expression profiles in the spleen. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 100, Issue: 1	2007
Caffeine as a promoter of analgesic-associated nephropathy--where is the evidence? Fundamental & clinical pharmacology, Volume: 17, Issue: 3	2003
The onset of action and the analgesic efficacy of Saridon (a propyphenazone/paracetamol/ caffeine combination) in comparison with paracetamol, ibuprofen, aspirin and placebo (pooled statistical analysis). Current medical research and opinion, Volume: 18, Issue: 1	2002
Directly-coupled HPLC-NMR spectroscopic studies of metabolism and futile deacetylation of phenacetin in the rat. Journal of pharmaceutical and biomedical analysis, Volume: 20, Issue: 6	1999
Dose selection for carcinogenicity studies of pharmaceuticals: systemic exposure to phenacetin at carcinogenic dosage in the rat. Regulatory toxicology and pharmacology : RTP, Volume: 28, Issue: 3	1998
Optimum conditions for the 13C-phenylalanine breath test. Chemical & pharmaceutical bulletin, Volume: 46, Issue: 8	1998
NMR spectroscopic studies on the metabolism and futile deacetylation of phenacetin in the rat. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 27, Issue: 11	1997
[The formulation aspects of drug liberation]. Acta pharmaceutica Hungarica, Volume: 63, Issue: 3	1993
Omeprazole does not enhance the metabolism of phenacetin, a marker of CYP1A2 activity, in healthy volunteers. Therapeutic drug monitoring, Volume: 16, Issue: 3	1994
Analgesics and cancer of the renal pelvis in New South Wales. Cancer, Jun-15, Volume: 49, Issue: 12	1982
Hepatotoxicity of mild analgesics. British journal of clinical pharmacology, Volume: 10 Suppl 2	1980
Formation of reactive metabolites of phenacetin in humans and rats. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 15, Issue: 11	1985
Paracetamol and phenacetin. Drugs, Volume: 32 Suppl 4	1986
Renal disease from habitual antipyretic analgesic consumption: an assessment of the epidemiologic evidence. Medicine, Volume: 65, Issue: 5	1986
Early cell proliferative and cytotoxic effects of phenacetin on rat nasal mucosa. Toxicology and applied pharmacology, Mar-15, Volume: 98, Issue: 1	1989
Experimentally induced toxic-haemolytic anaemia in laboratory rats following phenacetin administration. Folia haematologica (Leipzig, Germany : 1928), Volume: 112, Issue: 4	1985
The induction of renal papillary necrosis in Gunn rats by analgesics and analgesic mixtures. British journal of experimental pathology, Volume: 56, Issue: 1	1975
Automated high-pressure liquid chromatographic analysis of aspirin, phenacetin, and caffeine. Journal of pharmaceutical sciences, Volume: 64, Issue: 6	1975
Comparative metabolic studies of phenacetin and structurally-related compounds in the rat. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 6, Issue: 4	1976
Harmful effects of "aspirin compounds". Oral surgery, oral medicine, and oral pathology, Volume: 44, Issue: 1	1977
Propoxyphene: a review. American journal of hospital pharmacy, Volume: 34, Issue: 4	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
In Vitro and In Vivo Assessment of Atemoya Fruit (Annona atemoya) for Food-Drug Interactions. European journal of drug metabolism and pharmacokinetics, Volume: 47, Issue: 2	2022
Effects of Caffeic Acid and Quercetin on In Vitro Permeability, Metabolism and In Vivo Pharmacokinetics of Melatonin in Rats: Potential for Herb-Drug Interaction. European journal of drug metabolism and pharmacokinetics, Volume: 42, Issue: 5	2017
The inhibitory activity of the extracts of popular medicinal herbs on CYP1A2, 2C9, 2C19 and 3A4 and the implications for herb-drug interaction. African journal of traditional, complementary, and alternative medicines : AJTCAM, Volume: 11, Issue: 4	2014
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. Journal of medicinal chemistry, May-24, Volume: 55, Issue: 10	2012
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2). Journal of medicinal chemistry, Jun-12, Volume: 51, Issue: 11	2008
Rofecoxib is a potent, metabolism-dependent inhibitor of CYP1A2: implications for in vitro prediction of drug interactions. Drug metabolism and disposition: the biological fate of chemicals, Volume: 34, Issue: 12	2006
Atomoxetine hydrochloride: clinical drug-drug interaction prediction and outcome. The Journal of pharmacology and experimental therapeutics, Volume: 308, Issue: 2	2004
In vitro metabolism of tegaserod in human liver and intestine: assessment of drug interactions. Drug metabolism and disposition: the biological fate of chemicals, Volume: 29, Issue: 10	2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

phenacetin

Description

Cross-References

Synonyms (307)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (2)

Pathways (3)

Protein Targets (39)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (127)

Molecular Functions (78)

Ceullar Components (32)

Bioassays (201)

Research

Studies (2,228)

Study Types

Related Drugs (3,573)

Related Conditions (2,611)

Research Highlights

Safety/Toxicity (25)

Long-term Use (12)

Pharmacokinetics (24)

Onset of Action (1)

Bioavailability (17)

Dosage (29)

Interactions (8)