pentachlorophenol profile

PENTA: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	992
CHEMBL ID	75967
CHEBI ID	17642
SCHEMBL ID	1492
MeSH ID	M0016164

Synonym
MLS001066359
smr000471858
BIDD:ER0651
CHEMBL75967
2,3,4,5,6-pentachloro-phenol
EN300-18735
BRD-K50711164-001-02-4
NSC40792 ,
CHEBI:17642 ,
2,3,4,5,6-pentachlorophenol
durotox
nsc-263497
preventol p
pentaclorofenolo
2,4,5,6-pentachlorophenol
permasan
lauxtol a
chem-tol
pentachlorphenol
penchlorol
nci-c55389
dowicide g
peratox
glazd penta
nci-c54933
liroprem
nci-c55378
pentachloorfenol
wln: qr bg cg dg eg fg
thompson's wood fix
grundier arbezol
nsc263497
dowicide 7
fungifen
permagard
santobrite
pentachlorophenol pure
penwar
sinituho
permacide
permatox
santophen 20
penta-kil
pentachlorophenate
lauxtol
term-i-trol
1-hydroxy-2,4,5,6-pentachlorobenzene
pcp (pesticide)
permite
penta
ep 30
pentacon
chlorophen
KBIO1_001554
DIVK1C_006610
NCI60_003902
dow pentachlorophenol dp-2 antimicrobial
permatox penta
osmoplastic
pol-nu
pentachlorophenol dp-2
forepen
priltox
oz-88
dowicide ec-7
dura-treet
permatox dp-2
pentachlorofenol
dowcide 7
2,3,4,5,6-pentachlorophenol (dowicide ec-7)
2,3,4,5,6-pentachlorophenol, technical grade
pentachloorfenol [dutch]
witophen p
cm 613
1-hydroxy-2,3,4,5,6-pentachlorobenzene
brn 1285380
chlon
ontrack we herbicide
epa pesticide chemical code 063001
rcra waste number u242
penta wr
ccris 1663
ai3-00134
1-hydroxypentachlorobenzene
nci-c56655
ortho triox liquid vegetation killer
pol nu
osmose wood preserving compound
woodtreat a
einecs 201-778-6
pentachlorphenol [german]
nsc 263497
dowicide 7 antimicrobial
caswell no. 641
cp 1309
pentaclorofenolo [italian]
weed and brush killer
chem-penta
pentachlorophenol [bsi:iso]
watershed wood preservative
un3155
pentachloro-phenol
ep 30 (pesticide)
hsdb 894
mb 333
forpen-50 wood preservative
pentachlorophenol, dp-2
rcra waste no. u242
penta ready
ad 73
SGCUT00104
santophen
SPECTRUM_001893
SPECTRUM5_002010
BSPBIO_002433
QTL1_000066
phenol, pentachloro-
inchi=1/c6hcl5o/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12
pentachlorophenol, purified
NCGC00091143-01
PENTACHLOROPHENOL ,
87-86-5
C02575
TO_000075
pentachlorophenol, 97%
NCGC00091143-02
NCGC00091143-04
NCGC00091143-03
KBIOGR_001153
KBIO3_001933
KBIO2_002417
KBIO2_007553
KBIO2_004985
KBIOSS_002423
SPECPLUS_000514
SPECTRUM4_000687
SPBIO_001720
SPECTRUM2_001870
SPECTRUM3_000847
SPECTRUM330056
pentachlorophenol, technical
pentachlorophenol, dowicide ec-7
NCGC00091143-05
1Y4Z
MLS002454435
AC-11105
AKOS001075639
BMSE000697
P0033
NCGC00091143-06
NCGC00091143-07
cas-87-86-5
NCGC00259680-01
NCGC00253977-01
dtxsid7021106 ,
tox21_202131
dtxcid701106
tox21_300023
HMS2232I10
CCG-39355
bdbm92749
pentachlorophenol (pcp)
phenol, 2,3,4,5,6-pentachloro-
pentachlorophenol [un3155] [poison]
unii-d9bsu0se4t
d9bsu0se4t ,
HMS3373L22
pentachlorophenol [hsdb]
pentachlorophenol [who-dd]
pentachlorophenol [mart.]
pentachlorophenol [iso]
pentachlorophenol [iarc]
pentachlorophenol [mi]
SCHEMBL1492
W-104003
penton 70
pkhfn (salt/mix)
satophen
pkhf
perchlorophenol
chlorophenasic acid
santobrite (salt/mix)
preventol pn (salt/mix)
dowicide g (salt/mix)
acutox
4RPN
Z90121614
pentachlorophenol, analytical standard
pentachlorophenol 10 microg/ml in cyclohexane
pentachlorophenol 100 microg/ml in methanol
pentachlorophenol 10 microg/ml in methanol
pentachlorphenol (german)
pentachloorfenol (dutch)
pentaclorofenolo (italian)
2,3,4,5,6-pentachlorophenol (acd/name 4.0)
2, 3,4,5,6-pentachlorophenol
phenol, pentachloro-, pure
Q423922
pentachlorophenol 1000 microg/ml in methanol
BRD-K50711164-001-07-3
pentachlorophenol 100 microg/ml in acetonitrile

Excerpt	Reference
"Pentachlorophenol (PCP) is a common residual organic pollutant in paddy soil, and its harmful effects on soil ecosystems have been confirmed. "	( Lu, H; Shi, J; Tan, W; Tang, J; Wang, Y; Xiao, Y; Yu, T; Yuan, Y, 2021)
"Pentachlorophenol (PCP) is an endocrine-disrupting chemical that is ubiquitously found in the environment. "	( He, Z; Huang, Q; Huo, Y; Mahai, G; Wan, Y; Wang, A; Xia, W; Xu, S, 2022)
"Pentachlorophenol (PCP) is a ubiquitous environmental persistent organic pollutant and a Group 1 carcinogen. "	( He, Z; Liu, Z; Sun, Y; Wan, Y; Xia, W, 2023)
"Pentachlorophenol (PCP) is a synthetic organochlorine compound that is widely used in biocide and pesticide industries, and in preservation of wood, fence posts, cross arms and power line poles. "	( Khan, AA; Maheshwari, N; Mahmood, R, 2023)
"Pentachlorophenol (PCP) is a ubiquitous environmental toxicant with various adverse effects. "	( Gu, Z; Li, L; Li, W; Pei, W; Qian, X; Wu, Q; Zhang, Y; Zhang, Z; Zhu, J, 2023)
"Pentachlorophenol (PCP) is an organochlorine compound that is used as pesticide, biocide, and wood preservative. "	( Maheshwari, N; Mahmood, R, 2020)
"Pentachlorophenol (PCP) is a chlorophenolic compound that is widely used as pesticide, biocide and as a wood preservative to treat utility poles and wharf pilings. "	( Maheshwari, N; Mahmood, R, 2022)
"Pentachlorophenol (PCP) is a recalcitrant biocide that bioaccumulates in the environment due to its persistent nature and has been listed as a priority pollutant due to its toxicological and health effects. "	( Aregbesola, OA; Mokoena, MP; Olaniran, AO, 2020)
"Pentachlorophenol (PCP) is a class 2B human carcinogen that is used as an insecticide, herbicide, and wood preservative. "	( Khan, FH; Maheshwari, N; Mahmood, R, 2019)
"Pentachlorophenol (PCP) is an organochlorine pesticide whose toxicity led it to be banned in several countries. "	( Ballaminut, N; Coelho, GD; Gomes Machado, KM; Thomaz, DV, 2019)
"Pentachlorophenol (PCP) is a prevalent pollutant in the environment and has been demonstrated to be a serious toxicant to humans and animals. "	( Dong, Z; Hu, P; Li, J; Xu, T; Yin, D; Zhang, H; Zhao, J; Zhao, Q, 2014)
"Pentachlorophenol (PCP) is a priority pollutant due to its persistence and high toxicity. "	( Basto, MC; de Morais, P; Ramos, V; Stoichev, T; Vasconcelos, MT; Vasconcelos, VM, 2014)
"Pentachlorophenol (PCP) is an extremely dangerous pollutant for every ecosystem. "	( Bosso, L; Cea, M; Cristinzio, G; Diez, MC; Lacatena, F; Rubilar, O, 2015)
"Pentachlorophenol (PCP) is a persistent pollutant and a suspected human carcinogen. "	( Hu, X; Sun, Z; Wei, X; Zhang, H, 2015)
"Pentachlorophenol (PCP) is a persistent and ubiquitous environmental contaminant. "	( Jones, P; Morgan, M; Sobus, J, 2015)
"Pentachlorophenol (PCP) is a common residual persistent pesticide in paddy soil and has resulted in harmful effect on soil ecosystem. "	( Chen, M; Hu, M; Li, F; Liu, C; Luo, C; Tong, H, 2015)
"Pentachlorophenol (PCP) is a typical toxicant and prevailing pollutant whose toxicity has been broadly investigated. "	( Pan, R; Xu, T; Xu, Z; Yin, D; Zhao, J, 2016)
"Pentachlorophenol (PCP) is a common persistent pesticide in soil that has generated a significant environmental problem worldwide. "	( Chen, Y; Tao, L; Wang, Y; Wu, K, 2016)
"Pentachlorophenol (PCP) is a toxic compound which is widely used as a wood preservative product and general biocide. "	( Bosso, L; El-Bassi, L; Hechmi, N; Jedidi, N; Rao, MA; Scelza, R; Testa, A, 2016)
"Pentachlorophenol (PCP) is a persistent pollutant which has been widely used as a pesticide and a wood preservative. "	( Černík, M; Graham, N; Homolková, M; Hrabák, P, 2017)
"Pentachlorophenol (PCP) is a persistent chemical contaminant that has been extensively investigated in terms of its toxicology and metabolism. "	( Duffel, MW; Gulcan, HO; Liu, Y, 2008)
"Pentachlorophenol (PCP) is a toxic pollutant. "	( Chen, G; Huang, Y; Xun, L; Xun, R, 2008)
"Pentachlorophenol (PCP) is a highly toxic contaminant of chlorophenols. "	( Dong, YL; Jiang, SY; Pan, XW; Zhao, XH; Zhou, PJ, 2009)
"Pentachlorophenol (PCP) is a ubiquitous contaminant that has been shown to lead to hepatoxicity and is implicated in the incidence of liver tumors in human. "	( Chao, F; Fang, Y; Gao, X; Gao, Z; Li, X; Ning, B; Zha, J, 2010)
"Pentachlorophenol (PCP) is an organochlorine pesticide that decreases the tumor-cell killing (lytic) function of human natural killer (NK) cells. "	( Hurd, T; Walker, J; Whalen, MM, 2012)
"Pentachlorophenol (PCP) is an environmental pollutant of serious concern due to its high toxicity and long persistence property. "	( Cai, Q; Chen, L; Huang, C; Li, J; Shen, R; Tran T, T; Wang, N; Yuan, L; Zhou, L, 2013)
"Pentachlorophenol (PCP) is a widely used biocidal compound with several industrial, agricultural and domestic applications. "	( Dorsey, WC; Tchounwou, PB, 2003)
"Pentachlorophenol (PCP) is a wood preserving agent that is commonly found in contaminated soils at wood treatment sites. "	( Chen, SH; Hsu, CS; Hung, MY; Liou, RM, 2004)
"Pentachlorophenol (PCP) is a persistent organic pollutant (POP) previously used as a timber treatment chemical to prevent sap stain and wood rot. "	( Arnold, B; Leonil, D; Mills, T; Norling, C; Northcott, G; Robinson, B; Sivakumaran, S; Vogeler, I, 2006)
"Pentachlorophenol (PCP) is an organochlorine compound that has been widely used as a biocide in several industrial, agricultural, and domestic applications. "	( Dorsey, WC; Tchounwou, PB, 2004)
"Pentachlorophenol (PCP) is an organochlorine compound that has been widely used as a biocide in several industrial, agricultural, and domestic applications."	( Dorsey, WC; Ford, BD; Tchounwou, PB, 2006)
"Pentachlorophenol (PCP) is a possible human carcinogen detected widely in the environment. "	( Sturla, SJ; Vaidyanathan, VG; Villalta, PW, 2007)
"Pentachlorophenol (PCP) is a pesticide commonly used as a wood preservative. "	( Logan, DC; Rom, WN; White, GL; Wood, S, 1983)
"Pentachlorophenol (PCP) is a widespread contaminate of soils and ground water throughout North America. "	( Bryant, SE; Schultz, TW, 1994)
"Pentachlorophenol is a substance whose widespread use has led to substantial environmental contamination. "	( Blázovics, A; Fehér, J; Vásárhelyi, B, 1993)
"Pentachlorophenol (PCP) is a pesticide that was once widely used for wood preservation. "	( Ellefson, R; Furner, S; Haselhorst, B; Hryhorczuk, DO; Oleske, D; Persky, V; Wallace, WH; Webster, JR; Zugerman, C, 1998)
"Pentachlorophenol (PCP) is a toxic substance that affects many tissues adversely. "	( Carrasquer, G; Dinno, MA; Li, M; Schwartz, M; Yang, S, 1999)
"Pentachlorophenol (PCP) is an inhibitor of phenol-sulfotransferases and has been used to ascertain the role of sulfation in toxicology. "	( Boles, JW; Klaassen, CD, 2000)
"Pentachlorophenol (PCP) is a pesticide used worldwide in industrial and domestic applications. "	( Chang, WC; Ho, YS; Lee, CC; Liou, HB; Wang, YJ, 2001)
"Pentachlorophenol (PCP) is a widely used biocide that has been reported to be hepatocarcinogenic in mice. "	( La, DK; Lin, PH; Swenberg, JA; Upton, PB, 2002)
"Pentachlorophenol (PCP) is a potent uncoupler of mitochondrial phosphorylation in vitro and also interferes with microsomal detoxication functions in vitro. "	( Arrhenius, E; Johansson, L; Renberg, L, 1977)
"Pentachlorophenol is found to be a class II uncoupler and the experimental results are consistent with the hypothesis that the membrane permeable species are dimers formed by combination of neutral and dissociated pentachlorophenol molecules."	( Hsu, K; Perman, WH; Smejtek, P, 1976)
"Pentachlorophenol (PCP) is a substance whose widespread use, mainly in wood protection and pulp and paper mills, has led to a substantial environmental contamination. "	( Seiler, JP, 1991)
"Pentachlorophenol (PCP) is a widely applied insecticide and fungicide, particularly in wood preservation. "	( de Deyn, PP; Janssens, JJ; Jorens, PG; Schepens, PJ; van Paesschen, W; van Tichelen, WI, 1991)
"Pentachlorophenol (PCP) is an antimicrobial agent used chiefly for the preservation of wood. "	( Anderson, AC; White, KL, 1985)

Excerpt	Reference
"Pentachlorophenol (PCP) has been widely used as an insecticide for killing oncomelania (the intermediate host of schistosome) in China and leads to severe environmental contamination. "	( Ai, S; Gao, X; Ge, G; Li, J; Liu, Z; Wang, X; Xu, Q; Zhao, S, 2023)
"Pentachlorophenol (PCP) has attracted wide attention due to its high toxicity, persistence, and bioaccumulation. "	( Chen, X; Fang, Y; He, P; Li, S; Yan, X; Yan, Z; Zhao, Q, 2023)
"Pentachlorophenol (PCP) has been widely used as a pesticide in paddy fields and has imposed negative ecological effect on agricultural soil systems, which are in typically anaerobic conditions. "	( Chen, M; Li, F; Liao, C; Liu, C; Tong, H, 2017)
"Pentachlorophenol (PCP) has been used extensively as a biocide and a wood preservative and has been reported to be immunosuppressive in rodents and humans. "	( Chen, HM; Chen, RJ; Wang, BJ; Wang, YJ; Zhu, BZ, 2014)
"Pentachlorophenol (PCP) has been extensively used worldwide as a pesticide and biocide and is frequently detected in the aquatic environment. "	( Martín, R; Martínez-Guitarte, JL; Martínez-Paz, P; Morales, M; Morcillo, G; Planelló, R; Urien, J, 2014)
"Pentachlorophenol (PCP) has been reported toxic to aquatic organisms, and it frequently occurs at relatively high concentrations in most Chinese waters due to the re-emergence of schistosomiasis since 2003. "	( Liu, Z; Yan, Z; Yi, X; Zhang, J; Zhang, Y; Zheng, L; Zheng, X; Zhou, J; Zhu, Y, 2017)
"Pentachlorophenol (PCP) has been widely used for killing snails in areas of China where schistosomiasis is epidemic. "	( Qu, W; Wang, X; Yu, H; Zheng, W, 2012)
"Pentachlorophenol (PCP) has been widely used as a pesticide, and topical exposure to a chemical mixture can alter its dermal absorption. "	( Baynes, RE; Brooks, JD; Mumtaz, M; Riviere, JE, 2002)
"Pentachlorophenol (PCP) has been widely used as a wood preservative since 1980s. "	( Chiu, SW; Lau, WN; Law, WM; Lo, KL; Wai, LM, 2003)
"Pentachlorophenol (PCP) has been used in the past as a pesticide, herbicide, antifungal agent, bactericide, and wood preservative. "	( Chai, CT; Chen, KF; Chen, SC; Kao, CM; Liu, JK; Yeh, TY, 2004)
"Pentachlorophenol (PCP) has been used as an insecticide, fungicide, disinfectant, and ingredient in antifouling paints."	( Taylor, TR; Tucker, T; Whalen, MM, 2005)
"Pentachlorophenol (PCP) has been used as a wood preservative for more than 100 years. "	( Lee, CM; Yang, CF, 2008)
"Pentachlorophenol (PCP) has been used as a herbicide, biocide and preservative worldwide since the 1930s and as a result, extensive and prolonged contamination exists. "	( Carvalho, M; Hursthouse, A; Leitão, M; Martins, I; McLellan, I; Morrison, C; San Romão, MV; Silva Pereira, C; Tatner, P, 2007)
"Pentachlorophenol (PCP) has been shown to be carcinogenic for mice, although it does not seem to be mutagenic in bacterial test systems. "	( Inoue, S; Ito, K; Kawanishi, S; Naito, S; Ono, Y; Somiya, I; Yamamoto, K, 1994)
"1. Pentachlorophenol (PCP) has been found to be carcinogenic in mice. "	( Bois, FY; Reigner, BG; Tozer, TN, 1993)
"Pentachlorophenol (PCP), which has been used as a wood preservative, was reported to be a liver carcinogen in mice. "	( Hasegawa, R; Kurokawa, Y; Sai-Kato, K; Takagi, A; Umemura, T, 1996)
"Pentachlorophenol (PCP) has been used as an herbicide, algaecide, defoliant, wood preservative, germicide, fungicide, and molluscicide. "	( Bucher, JR; Chhabra, RS; Haseman, JK; Hejtmancik, MR; Maronpot, RM; Toft, JD, 1999)
"Pentachlorophenol has been extensively used for decades as a bleaching agent by pulp- and paper industry."	( Danilov, RA; Ekelund, NG, 2001)
"Pentachlorophenol has earlier been shown to be metabolized in mammals to tetrachloro-p-hydroquinone. "	( Ahlborg, UG; Larsson, K; Thunberg, T, 1978)

Excerpt	Reference
"In pentachlorophenol-treated rams, scrotal circumference was increased."	( Bartlewski, PM; Beard, AP; Chandolia, RK; Honaramooz, A; Rawlings, NC, 1999)
"A pentachlorophenol (PCP) wood treatment plant was studied to determine PCP exposure to people by occupation and to the plant by work area. "	( Benson, WW; Gabica, J; Wyllie, JA; Yoder, J, 1975)
"Pentachlorophenol (PCP)-treated wood is particularly toxic--short-term exposures to PCP-treating solutions can lead to aplastic anemia and mortality, while diseases such as Hodgkin's disease are associated with long-term exposures."	( Jagels, R, 1985)
"Pretreatment with pentachlorophenol, a known inhibitor of sulphotransferases, inhibited the binding of safrole to mouse-liver DNA, providing further evidence that the metabolic activation of the allylbenzenes proceeds by the formation of 1'-hydroxy derivatives as proximate carcinogens and 1'-sulphoöxy derivatives as ultimate carcinogens."	( Haglund, RE; Phillips, DH; Randerath, K; Reddy, MV, 1984)
"pretreatment with pentachlorophenol (20 mg/kg) 1 h before dosing with tamoxifen."	( Bi, J; Mabon, N; Moorthy, B; Randerath, K; Sriram, P, 1994)
"Pretreatment with pentachlorophenol, an inhibitor of sulphotransferase activity in vivo, abolished the excretion of benzylmercapturic acid, while excretion of the mercapturate following treatment with both pyrazole and pentachlorophenol was higher than in control or pentachlorophenol-treated rats, but much lower than in the animals given pyrazole alone."	( Caldwell, J; Chidgey, MA; Kennedy, JF, 1986)

Role	Description
human xenobiotic metabolite	Any human metabolite produced by metabolism of a xenobiotic compound in humans.
[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
chlorophenol	A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.
organochlorine pesticide	Any organochlorine compound that has been used as a pesticide.
pentachlorobenzenes	Any member of the class of chlorobenzenes in which a benzene ring is substituted by five chloro groups.
aromatic fungicide	An organic aromatic compound that has been used as a fungicide.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, HADH2 protein	Homo sapiens (human)	Potency	35.7168	0.0251	20.2376	39.8107	AID886; AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	35.7168	0.0251	20.2376	39.8107	AID886; AID893
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	56.2341	0.6310	35.7641	100.0000	AID504339
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	31.6228	5.6234	17.2929	31.6228	AID485281
Luciferase	Photinus pyralis (common eastern firefly)	Potency	34.8789	0.0072	15.7588	89.3584	AID1224835
interleukin 8	Homo sapiens (human)	Potency	74.9780	0.0473	49.4806	74.9780	AID651758
glp-1 receptor, partial	Homo sapiens (human)	Potency	28.1838	0.0184	6.8060	14.1254	AID624417
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	41.8501	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
USP1 protein, partial	Homo sapiens (human)	Potency	79.4328	0.0316	37.5844	354.8130	AID504865
GLS protein	Homo sapiens (human)	Potency	35.4813	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	23.3487	0.0008	11.3822	44.6684	AID686978; AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	19.3679	0.0007	14.5928	83.7951	AID1259369; AID1259392
Microtubule-associated protein tau	Homo sapiens (human)	Potency	15.8489	0.1800	13.5574	39.8107	AID1460
AR protein	Homo sapiens (human)	Potency	33.7016	0.0002	21.2231	8,912.5098	AID1259243; AID1259247; AID588515; AID588516; AID743035; AID743036; AID743042; AID743053; AID743054; AID743063
Smad3	Homo sapiens (human)	Potency	35.4813	0.0052	7.8098	29.0929	AID588855
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	17.7828	0.0112	12.4002	100.0000	AID1030
PINK1	Homo sapiens (human)	Potency	32.1220	2.8184	18.8959	44.6684	AID624263
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	31.6228	0.0013	18.0743	39.8107	AID926; AID938
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	4.1696	0.0006	57.9133	22,387.1992	AID1259377; AID1259378
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	21.0711	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
progesterone receptor	Homo sapiens (human)	Potency	38.3842	0.0004	17.9460	75.1148	AID1346784; AID1346795
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	56.2341	0.5318	15.4358	37.6858	AID504845
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	23.0639	0.0002	14.3764	60.0339	AID588532; AID588533; AID720691; AID720692
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	12.0288	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	14.1097	0.0008	17.5051	59.3239	AID1159527; AID1159531
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	36.6457	0.0015	30.6073	15,848.9004	AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403
farnesoid X nuclear receptor	Homo sapiens (human)	Potency	28.7897	0.3758	27.4851	61.6524	AID588526; AID743217
pregnane X nuclear receptor	Homo sapiens (human)	Potency	53.7504	0.0054	28.0263	1,258.9301	AID1346982; AID720659
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	25.1894	0.0002	29.3054	16,493.5996	AID1259244; AID1259248; AID588513; AID588514; AID743069; AID743075; AID743078; AID743079; AID743080; AID743091
Parkin	Homo sapiens (human)	Potency	32.1220	0.8199	14.8306	44.6684	AID624263
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	50.1187	0.0010	24.5048	61.6448	AID588535
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	9.4178	0.0010	19.4141	70.9645	AID588537; AID743094; AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	47.2206	0.0237	23.2282	63.5986	AID588541; AID743222; AID743223
IDH1	Homo sapiens (human)	Potency	29.0929	0.0052	10.8652	35.4813	AID686970
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	26.9807	0.0007	23.0674	1,258.9301	AID651777; AID743085; AID743122
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	51.3197	0.0017	23.8393	78.1014	AID743083
activating transcription factor 6	Homo sapiens (human)	Potency	17.5421	0.1434	27.6121	59.8106	AID1159516
thyrotropin-releasing hormone receptor	Homo sapiens (human)	Potency	33.1575	0.1549	17.8702	43.6557	AID1346877
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	14.1254	0.0018	15.6638	39.8107	AID894
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	64.4679	0.3548	28.0659	89.1251	AID504847
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.0077	0.0100	39.5371	1,122.0200	AID588545; AID588547
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	23.1093	0.0041	9.9848	25.9290	AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursor	Homo sapiens (human)	Potency	44.6684	3.5481	19.5427	44.6684	AID743266
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	16.2353	0.0003	23.4451	159.6830	AID743065; AID743066; AID743067
heat shock protein beta-1	Homo sapiens (human)	Potency	53.8538	0.0420	27.3789	61.6448	AID743210
nuclear factor NF-kappa-B p105 subunit isoform 1	Homo sapiens (human)	Potency	11.2202	4.4668	24.8329	44.6684	AID651749
serine/threonine-protein kinase PLK1	Homo sapiens (human)	Potency	26.6795	0.1683	16.4040	67.0158	AID720504
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	19.3674	0.0006	27.2152	1,122.0200	AID651741; AID743202; AID743219
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	22.2596	0.0079	8.2332	1,122.0200	AID2546; AID2551
geminin	Homo sapiens (human)	Potency	8.1995	0.0046	11.3741	33.4983	AID624296
DNA polymerase kappa isoform 1	Homo sapiens (human)	Potency	39.8107	0.0316	22.3146	100.0000	AID588579
Vpr	Human immunodeficiency virus 1	Potency	4.4668	1.5849	19.6264	63.0957	AID651644
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	39.8107	0.2512	15.8432	39.8107	AID504327
DNA dC->dU-editing enzyme APOBEC-3G isoform 1	Homo sapiens (human)	Potency	31.6228	0.0580	10.6949	26.6086	AID602310
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	19.9526	0.0200	10.7869	31.6228	AID912
lamin isoform A-delta10	Homo sapiens (human)	Potency	19.9526	0.8913	12.0676	28.1838	AID1487
Voltage-dependent calcium channel gamma-2 subunit	Mus musculus (house mouse)	Potency	30.2915	0.0015	57.7890	15,848.9004	AID1259244
Rap guanine nucleotide exchange factor 3	Homo sapiens (human)	Potency	125.8920	6.3096	60.2008	112.2020	AID720707
Cellular tumor antigen p53	Homo sapiens (human)	Potency	12.7950	0.0023	19.5956	74.0614	AID651631; AID651743; AID720552
Glutamate receptor 2	Rattus norvegicus (Norway rat)	Potency	30.2915	0.0015	51.7393	15,848.9004	AID1259244
Nuclear receptor ROR-gamma	Homo sapiens (human)	Potency	16.7855	0.0266	22.4482	66.8242	AID651802
TAR DNA-binding protein 43	Homo sapiens (human)	Potency	4.4668	1.7783	16.2081	35.4813	AID652104
Rap guanine nucleotide exchange factor 4	Homo sapiens (human)	Potency	10.0000	3.9811	46.7448	112.2020	AID720708
ATPase family AAA domain-containing protein 5	Homo sapiens (human)	Potency	27.2431	0.0119	17.9420	71.5630	AID651632
Ataxin-2	Homo sapiens (human)	Potency	27.2431	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)
Chain C, Respiratory nitrate reductase 1 gamma chain	Escherichia coli	Ki	0.0570	0.0570	0.0570	0.0570	AID977610
[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)
Pentachlorophenol 4-monooxygenase	Sphingobium chlorophenolicum	Kd	0.0500	0.0500	3.7500	7.0000	AID1799831
[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)
HSP40, subfamily A [Plasmodium falciparum 3D7]	Plasmodium falciparum 3D7	AbsAC1000_uM	2.8880	0.1290	4.1169	11.3160	AID540271
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
adaptive immune response	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
associative learning	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
Rap protein signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of actin cytoskeleton organization	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
negative regulation of syncytium formation by plasma membrane fusion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
intracellular signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of GTPase activity	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of angiogenesis	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of protein export from nucleus	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of stress fiber assembly	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
positive regulation of syncytium formation by plasma membrane fusion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
establishment of endothelial barrier	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cellular response to cAMP	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
xenobiotic metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of glucose metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of steroid metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
intracellular receptor signaling pathway	Nuclear receptor ROR-gamma	Homo sapiens (human)
circadian regulation of gene expression	Nuclear receptor ROR-gamma	Homo sapiens (human)
cellular response to sterol	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of circadian rhythm	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of fat cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of DNA-templated transcription	Nuclear receptor ROR-gamma	Homo sapiens (human)
adipose tissue development	Nuclear receptor ROR-gamma	Homo sapiens (human)
T-helper 17 cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
negative regulation of protein phosphorylation	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA processing	TAR DNA-binding protein 43	Homo sapiens (human)
RNA splicing	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of protein stability	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of insulin secretion	TAR DNA-binding protein 43	Homo sapiens (human)
response to endoplasmic reticulum stress	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of protein import into nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of circadian rhythm	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of apoptotic process	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation by host of viral transcription	TAR DNA-binding protein 43	Homo sapiens (human)
rhythmic process	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of cell cycle	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA destabilization	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA stabilization	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear inner membrane organization	TAR DNA-binding protein 43	Homo sapiens (human)
amyloid fibril formation	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
adaptive immune response	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
calcium-ion regulated exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
positive regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of synaptic vesicle cycle	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	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
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
protein domain specific binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
protein binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
oxysterol binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
zinc ion binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
ligand-activated transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
sequence-specific double-stranded DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear receptor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
double-stranded DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
RNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA 3'-UTR binding	TAR DNA-binding protein 43	Homo sapiens (human)
protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
lipid binding	TAR DNA-binding protein 43	Homo sapiens (human)
identical protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
pre-mRNA intronic binding	TAR DNA-binding protein 43	Homo sapiens (human)
molecular condensate scaffold activity	TAR DNA-binding protein 43	Homo sapiens (human)
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein-macromolecule adaptor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
small GTPase binding	Rap guanine nucleotide exchange factor 4	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	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
cortical actin cytoskeleton	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
microvillus	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
endomembrane system	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
lamellipodium	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
filopodium	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
extracellular exosome	Rap guanine nucleotide exchange factor 3	Homo sapiens (human)
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
plasma membrane	Glutamate receptor 2	Rattus norvegicus (Norway rat)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleoplasm	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear body	Nuclear receptor ROR-gamma	Homo sapiens (human)
chromatin	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
intracellular non-membrane-bounded organelle	TAR DNA-binding protein 43	Homo sapiens (human)
nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
perichromatin fibrils	TAR DNA-binding protein 43	Homo sapiens (human)
mitochondrion	TAR DNA-binding protein 43	Homo sapiens (human)
cytoplasmic stress granule	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear speck	TAR DNA-binding protein 43	Homo sapiens (human)
interchromatin granule	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
chromatin	TAR DNA-binding protein 43	Homo sapiens (human)
cytosol	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
hippocampal mossy fiber to CA3 synapse	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	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 (77)

Assay ID	Title	Year	Journal	Article
AID1347170	Vero cells viability counterscreen for qRT-PCR qHTS assay of selected 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.
AID1347172	Secondary qRT-PCR qHTS assay for selected 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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID1347164	384 well plate NINDS Rhodamine confirmatory 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.
AID1347158	ZIKV-mCherry secondary 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.
AID1347149	Furin counterscreen 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.
AID1347161	Confirmatory screen NINDS Rhodamine 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.
AID1347163	384 well plate NINDS AMC confirmatory 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.
AID1347157	Confirmatory screen GU Rhodamine qHTS for Zika virus inhibitors qHTS	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.
AID1347169	Tertiary RLuc qRT-PCR qHTS assay 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.
AID390924	Inhibition of Escherichia coli HisG	2008	Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19	Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening.
AID40936	Inhibition of Bacillus subtilis PCI219 spore germination, expressed as log 1/I50	1982	Journal of medicinal chemistry, Mar, Volume: 25, Issue:3	Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
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]
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]
AID357009	Antimicrobial activity against Pseudomonas fluorescens AHU1719 at 25 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID19211	Calculated partition coefficient (clogP)	2001	Bioorganic & medicinal chemistry letters, Sep-03, Volume: 11, Issue:17	Utility of boron clusters for drug design. Hansch-fujita hydrophobic parameters pi of dicarba-closo-dodecaboranyl groups.
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.
AID1063473	Antibacterial activity against Lactobacillus casei ATCC 334 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1063468	Antibacterial activity against Enterococcus faecalis ATCC 47077 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1063470	Antibacterial activity against Streptococcus mutans ATCC 700610 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID385221	Lipophilicity, log P of the compound	2008	Journal of medicinal chemistry, May-08, Volume: 51, Issue:9	Synthesis and screening of mono- and di-aryl technetium and rhenium metallocarboranes. A new class of probes for the estrogen receptor.
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
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
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]
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.
AID1063474	Antibacterial activity against Bifidobacterium longum ATCC BAA-999 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
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]
AID357003	Antimicrobial activity against Staphylococcus aureus AHU1142 at 25 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID357011	Antimicrobial activity against Pseudomonas fluorescens AHU1719 at 12.5 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID357008	Antimicrobial activity against Escherichia coli AHU1714 at 12.5 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID357000	Antimicrobial activity against Bacillus subtilis LMA0011 at 25 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID357002	Antimicrobial activity against Bacillus subtilis LMA0011 at 12.5 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID26793	Partition coefficient (logP)	1982	Journal of medicinal chemistry, Mar, Volume: 25, Issue:3	Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID357005	Antimicrobial activity against Staphylococcus aureus AHU1142 at 12.5 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
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]
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID26261	Partition coefficient (logD7.2)	1982	Journal of medicinal chemistry, Mar, Volume: 25, Issue:3	Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
AID1063469	Antibacterial activity against Escherichia coli ATCC 700927 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1063475	Antibacterial activity against Bacteroides thetaiotaomicron ATCC 29148 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1063471	Antibacterial activity against Staphylococcus aureus 8325-4 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID40623	Inhibitory activity on germination of Bacillus subtilis PCI219 spores was determined.	1982	Journal of medicinal chemistry, Mar, Volume: 25, Issue:3	Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
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.
AID1063478	Antibacterial activity against Clostridium difficile CD196 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1063472	Antibacterial activity against Lactobacillus reuteri ATCC 23272 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID25611	Dissociation constant (pKa)	1982	Journal of medicinal chemistry, Mar, Volume: 25, Issue:3	Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1063477	Antibacterial activity against Clostridium perfringens ATCC 13124 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1063476	Antibacterial activity against Bacteroides fragilis ATCC 25285 assessed as growth inhibition after 20 to 24 hrs	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells.
AID357006	Antimicrobial activity against Escherichia coli AHU1714 at 25 ug/8 mm disk after 18 hrs by paper disk method	2001	Journal of natural products, Jul, Volume: 64, Issue:7	Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
AID390926	Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production by spectrophotometry	2008	Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19	Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2014	International journal of molecular sciences, Nov-12, Volume: 15, Issue:11	Structures of the inducer-binding domain of pentachlorophenol-degrading gene regulator PcpR from Sphingobium chlorophenolicum.
AID1811	Experimentally measured binding affinity data derived from PDB	2005	The Journal of biological chemistry, Apr-15, Volume: 280, Issue:15	Structural and biochemical characterization of a quinol binding site of Escherichia coli nitrate reductase A.
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2005	The Journal of biological chemistry, Apr-15, Volume: 280, Issue:15	Structural and biochemical characterization of a quinol binding site of Escherichia coli nitrate reductase A.
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.
AID1799831	Spectroscopic Assay from Article 10.1021/bi300261p: \\Pentachlorophenol hydroxylase, a poorly functioning enzyme required for degradation of pentachlorophenol by Sphingobium chlorophenolicum.\\	2012	Biochemistry, May-08, Volume: 51, Issue:18	Pentachlorophenol hydroxylase, a poorly functioning enzyme required for degradation of pentachlorophenol by Sphingobium chlorophenolicum.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	526 (28.52)	18.7374
1990's	326 (17.68)	18.2507
2000's	533 (28.90)	29.6817
2010's	383 (20.77)	24.3611
2020's	76 (4.12)	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	6 (0.31%)	5.53%
Reviews	50 (2.56%)	6.00%
Case Studies	27 (1.38%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,871 (95.75%)	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
4-hydroxybenzaldehyde	[no description available]	medium	1	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
4-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
2-cresol	[no description available]	medium	3	0	cresol	human xenobiotic metabolite
salicylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
3-cresol	[no description available]	medium	1	0	cresol	human xenobiotic metabolite
octanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
4-aminophenol	[no description available]	medium	1	0	aminophenol	allergen; metabolite
guaiacol	[no description available]	medium	18	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
4-nitrophenol	[no description available]	medium	9	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
palmitic acid	[no description available]	medium	3	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
phenol	[no description available]	high	21	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
4-cresol	[no description available]	medium	3	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
decanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
hexachlorophene	[no description available]	medium	6	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
lauric acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
methyl salicylate	[no description available]	medium	2	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
4-chlorophenol	[no description available]	medium	10	0	monochlorophenol
resorcinol	[no description available]	medium	2	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
stearic acid	[no description available]	medium	1	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
2-aminophenol	[no description available]	medium	1	0	aminophenol	bacterial metabolite
2,3,4,6-tetrachlorophenol	[no description available]	medium	410	0	tetrachlorophenol	xenobiotic metabolite
2,4,6-trichlorophenol	[no description available]	medium	42	0	trichlorophenol	carcinogenic agent
2-tert-butylphenol	[no description available]	medium	1	0	alkylbenzene
2-isopropylphenol	[no description available]	medium	1	0	phenols
2-nitrophenol	[no description available]	medium	4	0	2-nitrophenols
picric acid	[no description available]	medium	2	0	C-nitro compound	antiseptic drug; explosive; fixative
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
2-ethylphenol	[no description available]	medium	1	0	phenols
salicylaldehyde	[no description available]	medium	1	0	hydroxybenzaldehyde	nematicide; plant metabolite
2-phenylphenol	[no description available]	medium	2	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
4-phenylphenol	[no description available]	medium	3	0	hydroxybiphenyls
2-chlorophenol	[no description available]	medium	8	0	2-halophenol; monochlorophenol
2,4,5-trichlorophenol	[no description available]	medium	17	0	trichlorophenol
butylphen	[no description available]	medium	2	0	phenols	allergen
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
4-isopropylphenol	[no description available]	medium	1	0	phenols	flavouring agent
4-bromophenol	[no description available]	medium	2	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
heptanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
pelargonic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite
undecanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antifungal agent; human metabolite
2,4-dichlorophenol	[no description available]	medium	43	0	dichlorophenol
2,5-dinitrophenol	[no description available]	medium	1	0	dinitrophenol
orcinol	[no description available]	medium	1	0	5-alkylresorcinol; dihydroxytoluene	Aspergillus metabolite
2,4,6-trimethylphenol	[no description available]	medium	1	0	hydroxytoluene
myristic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
3-nitrophenol	[no description available]	medium	1	0	3-nitrophenols
3-aminophenol	[no description available]	medium	1	0	aminophenol
tridecanoic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
4-ethylphenol	[no description available]	medium	1	0	phenols	fungal xenobiotic metabolite
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
linoleic acid	[no description available]	medium	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
alpha-linolenic acid	[no description available]	medium	1	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
5-methyl-2-(3-oxo-1,2,2-trimethylcyclopentyl)benzoquinone	[no description available]	medium	1	0	sesquiterpenoid
phenyl ether	[no description available]	medium	4	0	aromatic ether	plant metabolite
2,4-dinitrophenol	[no description available]	medium	13	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
dicumarol	[no description available]	medium	9	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
quinacrine	[no description available]	medium	4	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
chlordecone	[no description available]	medium	3	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
5,6-dimethylbenzimidazole	[no description available]	medium	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
hexachlorocyclohexane	[no description available]	medium	3	0	chlorocyclohexane
parathion	[no description available]	medium	3	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
pyrazinamide	[no description available]	medium	2	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	3	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
phenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	6	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
acetazolamide	[no description available]	medium	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ametantrone	[no description available]	medium	1	0
aminoglutethimide	[no description available]	medium	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
theophylline	[no description available]	medium	1	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
2-aminothiazole	[no description available]	medium	1	0	1,3-thiazoles; primary amino compound
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
aspirin	[no description available]	medium	4	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aspirin	[no description available]	medium	4	1	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
atenolol	[no description available]	medium	1	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	1	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	2	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
betaxolol	[no description available]	medium	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromhexine	[no description available]	medium	1	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
busulfan	[no description available]	medium	1	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine	[no description available]	medium	1	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
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carteolol	[no description available]	medium	1	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	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	1	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chloroquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	1	0	isoindoles; monochlorobenzenes; sulfonamide
cimetidine	[no description available]	medium	2	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clenbuterol	[no description available]	medium	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol	[no description available]	medium	1	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
dapsone	[no description available]	medium	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
debrisoquin	[no description available]	medium	1	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
diazoxide	[no description available]	medium	1	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
dicamba	[no description available]	medium	2	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlorphenamide	[no description available]	medium	1	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	1	0	N-carbamoylpiperazine; N-methylpiperazine
diflunisal	[no description available]	medium	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dimercaprol	[no description available]	medium	1	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
dipyridamole	[no description available]	medium	1	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	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
valproic acid	[no description available]	medium	1	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	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
felodipine	[no description available]	medium	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
flucytosine	[no description available]	medium	1	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluphenazine	[no description available]	medium	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
fluorouracil	[no description available]	medium	1	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
flutamide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
furosemide	[no description available]	medium	4	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	1	0	aromatic ether	antilipemic drug
glutethimide	[no description available]	medium	1	0	piperidines
glyburide	[no description available]	medium	1	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
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hydralazine	[no description available]	medium	1	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	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
ibuprofen	[no description available]	medium	2	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
phenelzine	[no description available]	medium	1	0	primary amine
lidocaine	[no description available]	medium	1	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
amrinone	[no description available]	medium	1	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iproniazid	[no description available]	medium	2	0	carbohydrazide; pyridines
isoniazid	[no description available]	medium	3	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	1	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
mepivacaine	[no description available]	medium	1	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	1	0	organic molecular entity
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide	[no description available]	medium	1	0	benzothiadiazine
methylphenidate	[no description available]	medium	1	0	beta-amino acid ester; methyl ester; piperidines
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metronidazole	[no description available]	medium	2	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	1	0	aromatic ether; primary amino compound	anti-arrhythmia drug
minoxidil	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
moclobemide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
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	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nifedipine	[no description available]	medium	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimodipine	[no description available]	medium	1	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
nitrendipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	medium	1	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	1	0	aromatic ether
4-dichlorobenzene	[no description available]	medium	1	0	dichlorobenzene	insecticide
pentamidine	[no description available]	medium	1	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
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacemide	[no description available]	medium	1	0	acetamides
phenacetin	[no description available]	medium	1	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenazopyridine	[no description available]	medium	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenobarbital	[no description available]	medium	11	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phentermine	[no description available]	medium	1	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
prilocaine	[no description available]	medium	1	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
primaquine	[no description available]	medium	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	1	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procaine	[no description available]	medium	2	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
ranitidine	[no description available]	medium	1	0	aralkylamine
semustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
sulfadiazine	[no description available]	medium	1	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
streptonigrin	[no description available]	medium	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	medium	1	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine	[no description available]	medium	1	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	1	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
sulfamethoxazole	[no description available]	medium	1	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
sulfamethoxypyridazine	[no description available]	medium	1	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1	0
sulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
terbutaline	[no description available]	medium	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	1	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
thiotepa	[no description available]	medium	1	0	aziridines
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
triamterene	[no description available]	medium	1	0	pteridines	diuretic; sodium channel blocker
trichlormethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
trimethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant; geroprotector
trimethoprim	[no description available]	medium	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimetrexate	[no description available]	medium	1	0
urethane	[no description available]	medium	1	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	1	0	piperidines
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
floxuridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
triethylenemelamine	[no description available]	medium	1	0	1,3,5-triazines	alkylating agent; insect sterilant
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
paramethasone	[no description available]	medium	1	0	fluorinated steroid
azauridine	[no description available]	medium	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
penicillin g	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
idoxuridine	[no description available]	medium	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
chloramphenicol	[no description available]	medium	6	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
vincristine	[no description available]	medium	1	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
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
dromostanolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial 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
levodopa	[no description available]	medium	1	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	1	0	penicillin allergen; penicillin	antibacterial drug
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	1	0	benzoxazole
aniline	[no description available]	medium	5	0	anilines; primary arylamine
colchicine	[no description available]	medium	1	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
uracil mustard	[no description available]	medium	1	0	aminouracil; nitrogen mustard
oxacillin	[no description available]	medium	1	0	penicillin	antibacterial agent; antibacterial drug
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	1	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
ampicillin	[no description available]	medium	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	medium	2	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	1	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
sulfobromophthalein sodium	[no description available]	medium	1	0	organic sodium salt	dye
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
methylprednisolone	[no description available]	medium	2	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	1	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
pseudoephedrine	[no description available]	medium	1	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
dicloran	[no description available]	medium	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
phenylhydrazine	[no description available]	medium	1	0	phenylhydrazines	xenobiotic
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
tetraethylenepentamine	[no description available]	medium	1	0	polyazaalkane	copper chelator
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
chloranil	[no description available]	medium	16	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	2	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]	medium	1	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
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
linuron	[no description available]	medium	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
betamethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
emetine	[no description available]	medium	1	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
pamaquine	[no description available]	medium	1	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
medroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
apronalide	[no description available]	medium	1	0	N-acylurea
4,6-dinitro-o-cresol	[no description available]	medium	2	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
metahexamide	[no description available]	medium	1	0	benzenes; sulfonamide
megestrol acetate	[no description available]	medium	1	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
erythromycin	[no description available]	medium	2	0	cyclic ketone; erythromycin
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
vinblastine	[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
ethambutol	[no description available]	medium	2	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
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	4	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	1	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	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
dicloxacillin	[no description available]	medium	1	0	dichlorobenzene; penicillin	antibacterial drug
improsan	[no description available]	medium	1	0	organosulfonic ester
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
piperacetazine	[no description available]	medium	1	0	phenothiazines
beclomethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
carbenicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
pentaquine	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
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	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
phenacid	[no description available]	medium	1	0
xipamide	[no description available]	medium	1	0	benzamides
selegiline	[no description available]	medium	1	0	selegiline; terminal acetylenic compound	geroprotector
cephalexin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
pentamethylmelamine	[no description available]	medium	1	0
calusterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
danazol	[no description available]	medium	1	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	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
razoxane	[no description available]	medium	1	0	N-alkylpiperazine
cephapirin	[no description available]	medium	1	0	cephalosporin	antibacterial drug
fludarabine phosphate	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
azetepa	[no description available]	medium	1	0	phosphoramide
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
ripazepam	[no description available]	medium	1	0	benzenes
amoxicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
prednimustine	[no description available]	medium	1	0	corticosteroid hormone
amygdalin	[no description available]	medium	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
zidovudine	[no description available]	medium	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
tobramycin	[no description available]	medium	1	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	1	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	1	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
ticarcillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
cephradine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
tocainide	[no description available]	medium	1	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	1	0
nimustine	[no description available]	medium	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
butibufen	[no description available]	medium	1	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
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
cefonicid	[no description available]	medium	1	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
triciribine phosphate	[no description available]	medium	1	0
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
bw-755c	[no description available]	medium	1	0
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
alfentanil	[no description available]	medium	1	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
piritrexim	[no description available]	medium	1	0
caracemide	[no description available]	medium	1	0
bambuterol	[no description available]	medium	1	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
quinapril	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
cilazapril, anhydrous	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones
morzid	[no description available]	medium	1	0	morpholines
febrifugine	[no description available]	medium	1	0	quinazolines
thymine arabinoside	[no description available]	medium	1	0	N-glycosyl compound
psicofuranine	[no description available]	medium	1	0	psicose derivative; purine nucleoside
triciribine	[no description available]	medium	1	0	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine	[no description available]	medium	1	0
bendamustine	[no description available]	medium	1	0	benzimidazoles
trofosfamide	[no description available]	medium	1	0	ifosfamides
4-aminobenzoic acid-n-xyloside	[no description available]	medium	1	0
fotrin	[no description available]	medium	1	0
sufosfamide	[no description available]	medium	1	0
propatyl nitrate	[no description available]	medium	1	0	nitrate ester
dexfenfluramine	[no description available]	medium	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
sulfamidochrysoidine	[no description available]	medium	1	0
ibopamine	[no description available]	medium	1	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	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
inproquone	[no description available]	medium	1	0
neplanocin a	[no description available]	medium	1	0
1-ethoxysilatrane	[no description available]	medium	1	0
tretazicar	[no description available]	medium	1	0
nsc-172755	[no description available]	medium	1	0
streptovitacin a	[no description available]	medium	1	0
cb 10375	[no description available]	medium	1	0
carbenicillin indanyl	[no description available]	medium	1	0	penicillin
cb 1837	[no description available]	medium	1	0
hexaphosphamide	[no description available]	medium	1	0
dipin	[no description available]	medium	1	0
phosphazine	[no description available]	medium	1	0
diiodobenzotepa	[no description available]	medium	1	0
icig 1163	[no description available]	medium	1	0
bimolane	[no description available]	medium	1	0
thiodipin	[no description available]	medium	1	0
fluoxydine	[no description available]	medium	1	0
imiphos	[no description available]	medium	1	0
aldophosphamide	[no description available]	medium	1	0	nitrogen mustard
perindopril	[no description available]	medium	1	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
methotrexate	[no description available]	medium	1	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
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	1	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
atropine	[no description available]	medium	2	0
deflazacort	[no description available]	medium	1	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	1	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
nsc-89199	[no description available]	medium	1	0	carbamate ester; organochlorine compound; steroid phosphate
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
indicine-n-oxide	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	1	0
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
cefoxitin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
netilmicin	[no description available]	medium	1	0
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	3	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
mycophenolic acid	[no description available]	medium	1	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
clindamycin	[no description available]	medium	1	0
fosfomycin	[no description available]	medium	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
teniposide	[no description available]	medium	1	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
cefamandole	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
tiazofurin	[no description available]	medium	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
azaserine	[no description available]	medium	1	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
melphalan	[no description available]	medium	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
dipyrone	[no description available]	medium	1	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	1	0
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	1	0	alcohol; organobromine compound
leuprolide	[no description available]	medium	1	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
octotropine methylbromide	[no description available]	medium	1	0
fludarabine	[no description available]	medium	1	0	purine nucleoside
propylthiouracil	[no description available]	medium	1	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
methylatropine nitrate	[no description available]	medium	1	0
mercaptopurine	[no description available]	medium	1	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
methimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
digoxin	[no description available]	medium	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
6-thioguanosine	[no description available]	medium	1	0	purine nucleoside
streptozocin	[no description available]	medium	1	0
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
lincomycin	[no description available]	medium	1	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiocarlide	[no description available]	medium	1	0	thioureas
mannomustine	[no description available]	medium	1	0	amino alcohol
gestodene	[no description available]	medium	1	0	steroid	estrogen
glucametacin	[no description available]	medium	1	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	2	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil	[no description available]	medium	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	2	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
7432 s	[no description available]	medium	1	0	cephalosporin; dicarboxylic acid	antibacterial drug
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine	[no description available]	medium	1	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
dihydrocodeine	[no description available]	medium	1	0	morphinane alkaloid
ly 163892	[no description available]	medium	1	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
naloxone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
morphine	[no description available]	medium	1	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
pactamycin	[no description available]	medium	1	0
anthramycin	[no description available]	medium	1	0
lacidipine	[no description available]	medium	1	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
vinorelbine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
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
cefixime	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
ramipril	[no description available]	medium	1	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	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
cefuroxime	[no description available]	medium	1	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	1	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ceftiofur	[no description available]	medium	1	0
cilastatin	[no description available]	medium	1	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
sibiromycin	[no description available]	medium	1	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
ceftizoxime	[no description available]	medium	1	0	cephalosporin	antibacterial drug
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	1	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
nitrofurantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
butylscopolammonium bromide	[no description available]	medium	1	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
thioacetazone	[no description available]	medium	1	0
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
gentamicin sulfate	[no description available]	medium	1	0
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
vindesine	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	1	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	5	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	2	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	1	0
chlortetracycline	[no description available]	medium	1	0
oxytetracycline, anhydrous	[no description available]	medium	1	0
minocycline	[no description available]	medium	1	0
bactobolin	[no description available]	medium	1	0	amino acid amide
mobiflex	[no description available]	medium	1	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
demeclocycline	[no description available]	medium	1	0
acyclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
rifampin	[no description available]	medium	2	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
dacarbazine	[no description available]	medium	2	0	dacarbazine
ganciclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
allopurinol	[no description available]	medium	1	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
azaguanine	[no description available]	medium	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	1	0
7-deazaguanosine	[no description available]	medium	1	0
pyrazofurin	[no description available]	medium	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate	[no description available]	medium	1	0	folic acids
5-methyltetrahydrohomofolic acid	[no description available]	medium	1	0
ninopterin	[no description available]	medium	1	0
2,6-dichlorophenol	[no description available]	medium	3	0	dichlorophenol
3,5-dichlorophenol	[no description available]	medium	4	0	dichlorophenol
3,4,5-trichlorophenol	[no description available]	medium	4	0
2,3,5,6-tetrachlorohydroquinone	[no description available]	medium	32	0	chlorohydroquinones; tetrachlorobenzene
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	7	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
fidaxomicin	[no description available]	medium	1	0
2-(3-pyridine)acetic acid	[no description available]	medium	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
ureidosuccinic acid	[no description available]	medium	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
gamma-guanidinobutyric acid	[no description available]	medium	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inositol	[no description available]	medium	1	0	cyclitol; hexol
phenylalanine	[no description available]	medium	1	0	alpha-amino acid; aromatic amino acid	Daphnia magna metabolite
nsc-267703	[no description available]	medium	1	0	anthracycline
n-acetyltryptophan	[no description available]	medium	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
tyrphostin ag957	[no description available]	medium	1	0	aromatic amine
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aristolochic acid i	[no description available]	medium	2	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
benzbromarone	[no description available]	medium	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzylhydrochlorothiazide	[no description available]	medium	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
eucalyptol	[no description available]	medium	1	0
amberlite cg 400	[no description available]	medium	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
stallimycin	[no description available]	medium	1	0
ellipticine	[no description available]	medium	3	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
glyphosate	[no description available]	medium	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
haloperidol	[no description available]	medium	1	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
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
hypericin	[no description available]	medium	1	0
batyl alcohol	[no description available]	medium	1	0	alkylglycerol
imipramine	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
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
ketoconazole	[no description available]	medium	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
khellin	[no description available]	medium	2	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
benzylsuccinic acid	[no description available]	medium	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; thiol
pentoxifylline	[no description available]	medium	1	0	oxopurine
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Picrotin, analytical standard	[no description available]	medium	1	0	furopyran
pomiferin	[no description available]	medium	1	0	isoflavanones
pridinol	[no description available]	medium	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
sulfaquinoxaline	[no description available]	medium	1	0	benzenes; sulfonamide
suramin	[no description available]	medium	1	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
4-methylglutamic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glutamic acid derivative
pilocarpine hydrochloride	[no description available]	medium	1	0	hydrochloride
veratramine	[no description available]	medium	1	0	piperidine alkaloid
gibberellic acid	[no description available]	medium	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
santowhite powder	[no description available]	medium	1	0
fentichlor	[no description available]	medium	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
hexadecanolide	[no description available]	medium	1	0	macrolide
pamoic acid	[no description available]	medium	1	0	dicarboxylic acid
carzenide	[no description available]	medium	1	0	sulfonamide
estradiol 17 beta-cypionate	[no description available]	medium	1	0	steroid ester
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
jervine	[no description available]	medium	1	0	piperidines
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
salicylurate	[no description available]	medium	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
3,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
ricinine	[no description available]	medium	1	0	nitrile; pyridine alkaloid; pyridone
carinamide	[no description available]	medium	1	0
3,5-dibromotyrosine	[no description available]	medium	1	0	monocarboxylic acid
hematoporphyrin	[no description available]	medium	1	0
1H-indazol-3-amine	[no description available]	medium	1	0	indazoles
1,1'-methylenedi-2-naphthol	[no description available]	medium	1	0
tricarballylic acid	[no description available]	medium	1	0	tricarboxylic acid
popop	[no description available]	medium	1	0	1,3-oxazoles	fluorochrome
2-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones	food antioxidant
7-hydroxychlorpromazine	[no description available]	medium	1	0	phenothiazines
cme-carbodiimide	[no description available]	medium	1	0
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
strombine	[no description available]	medium	1	0
thymolphthalein	[no description available]	medium	1	0	terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid	[no description available]	medium	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	[no description available]	medium	1	0	anthracycline
hydroxyphenylazouracil	[no description available]	medium	1	0
canadine	[no description available]	medium	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
pimonidazole	[no description available]	medium	1	0
flavone acetic acid	[no description available]	medium	1	0
trichlorophene	[no description available]	medium	1	0
verapamil hydrochloride	[no description available]	medium	1	0
4-aminomethylbenzoic acid	[no description available]	medium	1	0	benzoic acids
cedrol	[no description available]	medium	1	0	cedrane sesquiterpenoid; tertiary alcohol
propazole	[no description available]	medium	1	0	benzimidazoles
reserpic acid	[no description available]	medium	1	0	yohimban alkaloid
pifexole	[no description available]	medium	1	0
Diphenolic acid	[no description available]	medium	1	0	bisphenol
Melicopidine	[no description available]	medium	1	0	acridines
resorufin	[no description available]	medium	2	0	phenoxazine
vinburnine	[no description available]	medium	1	0	alkaloid
pacein	[no description available]	medium	1	0
alantolactone	[no description available]	medium	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
stictic acid	[no description available]	medium	1	0	aromatic ether
gallocyanine	[no description available]	medium	1	0
propylsulfonic acid	[no description available]	medium	1	0
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide	[no description available]	medium	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid	[no description available]	medium	1	0
va 061	[no description available]	medium	1	0
n-acetyltyrosine, (dl)-isomer	[no description available]	medium	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n(6)-(delta(2)-isopentenyl)adenine	[no description available]	medium	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid	[no description available]	medium	1	0	glutamic acid derivative
nsc-87877	[no description available]	medium	1	0
methyl lithocholate	[no description available]	medium	1	0
nipecotic acid amide	[no description available]	medium	1	0	piperidinecarboxamide
dimethacrine	[no description available]	medium	1	0	acridines
dehydroabietic acid	[no description available]	medium	2	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
4-deoxypyridoxine 5'-phosphate	[no description available]	medium	1	0
4-(phenylthio)butanoic acid	[no description available]	medium	1	0
bis-a-tda	[no description available]	medium	1	0
1-amino-2-phenylethylphosphonic acid	[no description available]	medium	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid	[no description available]	medium	1	0
Isopteropodin	[no description available]	medium	1	0	indolizines
benzpiperylone	[no description available]	medium	1	0	pyrazoles; ring assembly
carboxyamido-triazole	[no description available]	medium	1	0
nsc 607097	[no description available]	medium	1	0
pacifenol	[no description available]	medium	1	0
n-phenyliminodiacetic acid	[no description available]	medium	1	0
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cystamine hydrochloride	[no description available]	medium	1	0
dipiperidinoethane-di-n-oxide	[no description available]	medium	1	0
benzyl-beta-d-xyloside	[no description available]	medium	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid	[no description available]	medium	1	0	dicarboxylic acid
2,4-dinitrophenylacetic acid	[no description available]	medium	1	0
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
(5-Phenyl-1,2,4-triazol-3-yl)urea	[no description available]	medium	1	0	benzenes
fumagillol	[no description available]	medium	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
vacquinol-1	[no description available]	medium	1	0
aspidospermine	[no description available]	medium	1	0	indole alkaloid
guaiol	[no description available]	medium	1	0	guaiane sesquiterpenoid
benzatropine methanesulfonate	[no description available]	medium	1	0
pseudoyohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58	[no description available]	medium	1	0	pyridines
nsc 88915	[no description available]	medium	1	0
o-acetylsolasodine	[no description available]	medium	1	0
viroallosecurinine	[no description available]	medium	1	0	indolizines
4-methyl-2-quinazolinamine	[no description available]	medium	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid	[no description available]	medium	1	0
adamantoylcytarabine	[no description available]	medium	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester	[no description available]	medium	1	0	naphthalenes
noscapine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
LSM-1290	[no description available]	medium	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	[no description available]	medium	1	0
nsc 154020	[no description available]	medium	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid	[no description available]	medium	1	0	2-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one	[no description available]	medium	1	0	cyclic ketone; quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine	[no description available]	medium	1	0	benzodioxoles
croton factor f1	[no description available]	medium	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin	[no description available]	medium	1	0	medicarpin	plant metabolite
gitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
aromoline	[no description available]	medium	1	0
nsc668394	[no description available]	medium	1	0
gant 61	[no description available]	medium	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound	geroprotector
nsc 45641	[no description available]	medium	1	0
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
aconitic acid	[no description available]	medium	1	0	aconitic acid	fundamental metabolite
amygdalin	[no description available]	medium	1	0
alpha-phenylcinnamate	[no description available]	medium	1	0
curcumin	[no description available]	medium	2	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
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
eskazine	[no description available]	medium	1	0
nsc 336628	[no description available]	medium	1	0
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one	[no description available]	medium	1	0	oxopurine
cambinol	[no description available]	medium	1	0
nsc 117199	[no description available]	medium	1	0
mangostin	[no description available]	medium	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rottlerin	[no description available]	medium	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid	[no description available]	medium	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
7,8-dimethylalloxazine	[no description available]	medium	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
dihydrothobainone	[no description available]	medium	1	0
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
abscisic acid	[no description available]	medium	1	0	abscisic acids
radicinin	[no description available]	medium	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid	[no description available]	medium	1	0	imidazopyrazine
hispanolone	[no description available]	medium	1	0
veratridine	[no description available]	medium	2	0
zimelidine hydrochloride	[no description available]	medium	1	0
chlortetracycline hydrochloride	[no description available]	medium	1	0
viridicatumtoxin	[no description available]	medium	1	0
hematein	[no description available]	medium	1	0
glycosides	[no description available]	medium	1	0
nickel	[no description available]	medium	5	0	metal allergen; nickel group element atom	epitope; micronutrient
glycylproline	[no description available]	medium	1	1	dipeptide zwitterion; dipeptide	metabolite
glycyl-glycyl-proline	[no description available]	medium	1	1	tripeptide zwitterion; tripeptide
ether	[no description available]	medium	2	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
rosin	[no description available]	medium	1	0
phenylalanyl-prolyl-arginine-chloromethyl ketone	[no description available]	medium	1	0
thromboplastin	[no description available]	medium	6	0
erythrityl tetranitrate	[no description available]	medium	2	0	nitrate ester	explosive; vasodilator agent
nitrites	[no description available]	medium	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
hexamethonium	[no description available]	medium	4	0	quaternary ammonium salt
cardiovascular agents	[no description available]	medium	1	0
2-aminoadipic acid	[no description available]	medium	1	0	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite
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
allysine	[no description available]	medium	1	0	allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
efloxate	[no description available]	medium	1	0	organic molecular entity
pentaacetylgitoxin	[no description available]	medium	1	0
acetyldigitoxin	[no description available]	medium	1	0	cardenolide glycoside	anti-arrhythmia drug; cardiotonic drug; enzyme inhibitor
beta-acetyldigoxin	[no description available]	medium	1	0	cardenolide glycoside
c.i. 42510	[no description available]	medium	1	0
methanol	[no description available]	medium	94	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
dalteparin	[no description available]	medium	5	1
fibrinogen	[no description available]	medium	1	0	iditol	fungal metabolite
chondroitin sulfates	[no description available]	medium	1	0
heparitin sulfate	[no description available]	medium	1	0
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
1-anilino-8-naphthalenesulfonate	[no description available]	medium	3	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
sanorg 34006	[no description available]	medium	2	0
piperidines	[no description available]	medium	4	0
thiazoles	[no description available]	medium	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
dx 9065a	[no description available]	medium	1	0
ym 60828	[no description available]	medium	1	0
eptifibatide	[no description available]	medium	1	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
tyrosine	[no description available]	medium	4	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
tirofiban	[no description available]	medium	1	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
hirudin	[no description available]	medium	2	0
napsagatran	[no description available]	medium	1	0
warfarin	[no description available]	medium	3	0	benzenes; hydroxycoumarin; methyl ketone
ic 831423	[no description available]	medium	1	0
chromium	[no description available]	medium	15	0	chromium group element atom; metal allergen	micronutrient
chromates	[no description available]	medium	2	0	chromium oxoanion; divalent inorganic anion	oxidising agent
venlafaxine hydrochloride	[no description available]	medium	1	0	hydrochloride
diuron	[no description available]	medium	4	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
ozone	[no description available]	medium	8	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
clofibric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
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
diclofenac	[no description available]	medium	1	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
citalopram	[no description available]	medium	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
vinyl chloride	[no description available]	medium	2	0	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
triclosan	[no description available]	medium	6	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
carbamazepine	[no description available]	medium	2	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
estrone	[no description available]	medium	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	12	0	guanosines	biomarker
lignin	[no description available]	medium	11	0
nitrophenols	[no description available]	medium	35	0
bes	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; amino sulfonic acid; BES
titanium dioxide	[no description available]	medium	25	0	titanium oxides	food colouring
vinyl ether	[no description available]	medium	1	0	ether
maleic anhydride	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; furans	allergen
gallic acid	[no description available]	medium	2	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
laccase	[no description available]	medium	14	0
phenanthrenes	[no description available]	medium	15	0
chitosan	[no description available]	medium	2	0
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
proline	[no description available]	medium	4	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
citrulline	[no description available]	medium	1	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
ornithine	[no description available]	medium	1	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
chlorpyrifos	[no description available]	medium	12	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
1-butanol	[no description available]	medium	3	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
ddt	[no description available]	medium	24	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
citric acid, anhydrous	[no description available]	medium	2	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
catechin	[no description available]	medium	3	0	catechin	antioxidant; plant metabolite
xanthurenic acid	[no description available]	medium	1	0	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
ketoprofen	[no description available]	medium	1	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
flurbiprofen	[no description available]	medium	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
maytansine	[no description available]	medium	1	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
irinotecan	[no description available]	medium	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
methane	[no description available]	medium	26	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
1,4-dioxin	[no description available]	medium	1	0	oxacycle
dibenzofuran	[no description available]	medium	13	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
benzofurans	[no description available]	medium	55	0
protocatechualdehyde	[no description available]	medium	1	0	dihydroxybenzaldehyde
9,10-anthraquinone	[no description available]	medium	1	0	anthraquinone
lactic acid	[no description available]	medium	10	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
ciprofloxacin	[no description available]	medium	1	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
cadmium chloride	[no description available]	medium	6	0	cadmium coordination entity
potassium dichromate	[no description available]	medium	4	0	potassium salt	allergen; oxidising agent; sensitiser
chromium	[no description available]	medium	6	0	chromium cation; monoatomic hexacation
permanganate	[no description available]	medium	1	0	manganese oxoacid
phenyl acetate	[no description available]	medium	14	0	benzenes; phenyl acetates
arsenic	[no description available]	medium	10	0	metalloid atom; pnictogen	micronutrient
dibutyl phthalate	[no description available]	medium	1	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
diethylhexyl phthalate	[no description available]	medium	6	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
benzophenone	[no description available]	medium	1	0	benzophenones	photosensitizing agent; plant metabolite
phosphorus	[no description available]	medium	2	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
tetrabromobisphenol a	[no description available]	medium	5	0	brominated flame retardant; bromobisphenol
chromated copper arsenate	[no description available]	medium	4	0
pentachloroanisole	[no description available]	medium	15	0
phenanthrene	[no description available]	medium	13	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
2,5-dichlorophenol	[no description available]	medium	3	0	dichlorophenol	human xenobiotic metabolite
3,4-dichlorophenol	[no description available]	medium	4	0	dichlorophenol
3-chlorobenzoic acid	[no description available]	medium	1	0	monochlorobenzoic acid	drug metabolite
2-chlorobenzoic acid	[no description available]	medium	1	0	2-halobenzoic acid; monochlorobenzoic acid	plant hormone; plant metabolite
resazurin	[no description available]	medium	3	0	phenoxazine
xanthenes	[no description available]	medium	4	0	xanthene
dihydroresorufin	[no description available]	medium	1	0
chlorine	[no description available]	medium	49	0	diatomic chlorine; gas molecular entity	bleaching agent
2,3,4,5-tetrachlorophenate	[no description available]	medium	17	0	tetrachlorophenol	xenobiotic metabolite
dibenzo(1,4)dioxin	[no description available]	medium	7	0	dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene
hydroxyl radical	[no description available]	medium	18	0	oxygen hydride; oxygen radical; reactive oxygen species
ferrous oxide	[no description available]	medium	1	0	iron oxide
benzo(a)pyrene	[no description available]	medium	13	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
titanium	[no description available]	medium	29	0	titanium group element atom
diphenyl	[no description available]	medium	3	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
naphthalene	[no description available]	medium	4	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
xylose	[no description available]	medium	1	0	D-xylose
toluene	[no description available]	medium	7	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
2,2',4,4'-tetrabromodiphenyl ether	[no description available]	medium	2	0	aromatic ether; organobromine compound
molybdenum	[no description available]	medium	7	0	chromium group element atom	micronutrient
nitrates	[no description available]	medium	6	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
bisphenol a	[no description available]	medium	14	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
formaldehyde	[no description available]	medium	7	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
2,4-dichlorophenoxyacetic acid	[no description available]	medium	19	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
hexachlorobenzene	[no description available]	medium	60	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
1,7-phenanthroline	[no description available]	medium	6	0	phenanthroline
lucidin 3-o-beta-primveroside	[no description available]	medium	1	0
mesna	[no description available]	medium	1	0	organosulfonic acid
2-bromoethanesulfonic acid	[no description available]	medium	4	0
cytochrome c-t	[no description available]	medium	1	0
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
3-chlorophenol	[no description available]	medium	10	0	monochlorophenol
4-tert-octylphenol	[no description available]	medium	5	0	alkylbenzene
oxybenzone	[no description available]	medium	2	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
4-octylphenol	[no description available]	medium	3	0	phenols	metabolite; surfactant; xenoestrogen
4-nonylphenol	[no description available]	medium	5	0	phenols	environmental contaminant
1,2,4,5-tetrachlorobenzene	[no description available]	medium	2	0	tetrachlorobenzene
n-hexadecane	[no description available]	medium	1	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
tridecane	[no description available]	medium	1	0	long-chain alkane	plant metabolite; volatile oil component
palladium	[no description available]	medium	12	0	metal allergen; nickel group element atom; platinum group metal atom
o-aminoazotoluene	[no description available]	medium	3	0
flavin mononucleotide	[no description available]	medium	1	0
nad	[no description available]	medium	14	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
2-chloranil	[no description available]	medium	4	0
antimony	[no description available]	medium	1	0	metalloid atom; pnictogen
stannic oxide	[no description available]	medium	1	0	tin oxide
hydrogen	[no description available]	medium	7	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
hydroxide ion	[no description available]	medium	1	0	oxygen hydride	mouse metabolite
phencyclidine	[no description available]	medium	13	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
cadmium	[no description available]	medium	31	0	cadmium molecular entity; zinc group element atom
silver	[no description available]	medium	5	0	copper group element atom; elemental silver	Escherichia coli metabolite
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
ergosterol	[no description available]	medium	2	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
perfluorooctanoic acid	[no description available]	medium	1	0	fluoroalkanoic acid	carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic
perfluorooctane sulfonic acid	[no description available]	medium	3	0	perfluoroalkanesulfonic acid	antilipemic drug; persistent organic pollutant
caprylates	[no description available]	medium	2	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
ovalbumin	[no description available]	medium	1	0
dodecyltrimethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
methyl orange	[no description available]	medium	1	0
zinc oxide	[no description available]	medium	2	0	zinc molecular entity
ammonium hydroxide	[no description available]	medium	8	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
pheophytin a	[no description available]	medium	3	0
chlorophyll a	[no description available]	medium	9	0	chlorophyll; methyl ester	cofactor
gold	[no description available]	medium	2	0	copper group element atom; elemental gold
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
cellulose	[no description available]	medium	7	0	glycoside
boron nitride	[no description available]	medium	1	0	nitride
fullerene c60	[no description available]	medium	2	0	fullerene	geroprotector
malondialdehyde	[no description available]	medium	2	0	dialdehyde	biomarker
ammonium chloride	[no description available]	medium	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
urea	[no description available]	medium	1	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
peroxymonosulfate	[no description available]	medium	1	0	sulfur oxide; sulfur oxoanion
potassium persulfate	[no description available]	medium	4	0
cadmium sulfide	[no description available]	medium	1	0	cadmium molecular entity
bismuth	[no description available]	medium	4	0	metal atom; pnictogen
chlorine	[no description available]	medium	14	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
quercetin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
ferric hydroxide	[no description available]	medium	1	0
hydrogen sulfide	[no description available]	medium	2	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
sulfur	[no description available]	medium	2	0	chalcogen; nonmetal atom	macronutrient
methylene blue	[no description available]	medium	1	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
diethylnitrosamine	[no description available]	medium	5	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
cetyltrimethylammonium ion	[no description available]	medium	1	0	quaternary ammonium ion
triphosphoric acid	[no description available]	medium	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid
nadp	[no description available]	medium	9	0
1-methylpyrene	[no description available]	medium	1	0	pyrenes
1-hydroxymethylpyrene	[no description available]	medium	1	0
fluorine	[no description available]	medium	4	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
thyroxine	[no description available]	medium	17	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
triiodothyronine	[no description available]	medium	10	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
oxalates	[no description available]	medium	3	0
acephate	[no description available]	medium	1	0	mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
paraquat	[no description available]	medium	10	0	organic cation	geroprotector; herbicide
3,5,6-trichloro-2-pyridinol	[no description available]	medium	4	0	chloropyridine; hydroxypyridine; pyridone	human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite
3-phenoxybenzoic acid	[no description available]	medium	2	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
kaolinite	[no description available]	medium	1	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
edetic acid	[no description available]	medium	10	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
fenton's reagent	[no description available]	medium	10	0
cellulase	[no description available]	medium	1	0	cellotriose
2,2-bis(bromomethyl)-1,3-propanediol	[no description available]	medium	1	0	primary alcohol
mercury	[no description available]	medium	9	0	elemental mercury; zinc group element atom	neurotoxin
dibutylaminosulfenylcarbofuran	[no description available]	medium	1	0	1-benzofurans; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
captan	[no description available]	medium	1	0	isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide	antifungal agrochemical
carbamates	[no description available]	medium	4	0	amino-acid anion
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
aristolactam i	[no description available]	medium	1	0
anthraquinone-2,6-disulfonate	[no description available]	medium	2	0	anthraquinone; arenesulfonic acid
sodium hydroxide	[no description available]	medium	3	0	alkali metal hydroxide
trimethylsilyldiazomethane	[no description available]	medium	1	0
diazomethane	[no description available]	medium	2	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
hexafluorobenzene	[no description available]	medium	1	0	fluorobenzenes; fluorocarbon	NMR chemical shift reference compound
chlorobenzene	[no description available]	medium	3	0	monochlorobenzenes	solvent
fluorobenzenes	[no description available]	medium	1	0	monofluorobenzenes	NMR chemical shift reference compound
aluminum	[no description available]	medium	2	0	boron group element atom; elemental aluminium; metal atom
heptachlor	[no description available]	medium	3	0	cyclodiene organochlorine insecticide	agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant
7-ethoxycoumarin	[no description available]	medium	1	0	aromatic ether; coumarins
deoxyguanosine	[no description available]	medium	14	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methyl farnesoate	[no description available]	medium	1	0	enoate ester; fatty acid methyl ester; juvenile hormone	crustacean metabolite
3,4,5,6-tetrachlorocatechol	[no description available]	medium	2	0	chlorocatechol; tetrachlorobenzene
silicon	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
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
manganese dioxide	[no description available]	medium	3	0	manganese molecular entity; metal oxide
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
octachlorodibenzo-4-dioxin	[no description available]	medium	7	0	polychlorinated dibenzodioxine
carbendazim	[no description available]	medium	2	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
tetrachloroisophthalonitrile	[no description available]	medium	3	0	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
fluazinam	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic
alpha-aminopyridine	[no description available]	medium	2	0
1-hydroxypyrene	[no description available]	medium	1	0	pyrenes
phosphine	[no description available]	medium	1	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	4	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
azides	[no description available]	medium	7	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
atrazine	[no description available]	medium	13	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
malathion	[no description available]	medium	4	0	diester; ethyl ester; organic thiophosphate
rotenone	[no description available]	medium	9	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
potassium cyanide	[no description available]	medium	1	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	2	0
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
acetovanillone	[no description available]	medium	1	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
2,4,6-tribromophenol	[no description available]	medium	2	0	bromophenol	environmental contaminant; fungicide; marine metabolite
3-o-methylglucose	[no description available]	medium	1	0	D-aldohexose derivative
corticosterone	[no description available]	medium	1	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
fe(iii)-edta	[no description available]	medium	1	0	iron coordination entity
1-oleoyl-2-palmitoylphosphatidylcholine	[no description available]	medium	1	0
phosphatidylcholines	[no description available]	medium	12	0	1,2-diacyl-sn-glycero-3-phosphocholine
muramidase	[no description available]	medium	4	0
pyrethrins	[no description available]	medium	4	0
cypermethrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
metallothionein	[no description available]	medium	1	0
aldicarb	[no description available]	medium	2	0
deferoxamine	[no description available]	medium	2	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
alpha-chlorohydrin	[no description available]	medium	2	0	chloropropane-1,2-diol
acetylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	human metabolite
carnitine	[no description available]	medium	2	0	amino-acid betaine	human metabolite; mouse metabolite
hydroquinone	[no description available]	medium	3	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
2,3,7,8-tetrabromodibenzo-4-dioxin	[no description available]	medium	1	0	dibenzodioxine; organobromine compound
dichlorodiphenyl dichloroethylene	[no description available]	medium	10	0	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
diazinon	[no description available]	medium	3	0	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
goethite	[no description available]	medium	2	0
2,6-dichloro-4-nitrophenol	[no description available]	medium	17	0
monoperoxysulfate	[no description available]	medium	1	0
cupric chloride	[no description available]	medium	1	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
dimethoate	[no description available]	medium	3	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
phenmedipham	[no description available]	medium	1	0	carbamate ester	environmental contaminant; herbicide; xenobiotic
methyl methanesulfonate	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
estragole	[no description available]	medium	2	0	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
3,4-dichloroaniline	[no description available]	medium	5	0	dichloroaniline	epitope; xenobiotic
luminol	[no description available]	medium	1	0
tellurium	[no description available]	medium	1	0	chalcogen; metalloid atom
cadmium telluride	[no description available]	medium	1	0
platinum	[no description available]	medium	4	0	elemental platinum; nickel group element atom; platinum group metal atom
clay	[no description available]	medium	7	0
neutral red	[no description available]	medium	4	0	hydrochloride	acid-base indicator; dye; two-colour indicator
mocetinostat	[no description available]	medium	3	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
catechol	[no description available]	medium	2	0	catechols	allelochemical; genotoxin; plant metabolite
glycine	[no description available]	medium	4	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
n,n'-ethylenediamine disuccinic acid	[no description available]	medium	1	0
hydrofluoric acid	[no description available]	medium	1	0	hydrogen halide; mononuclear parent hydride	NMR chemical shift reference compound
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
2,4,6-trichlorophenyl 4-nitrophenyl ether	[no description available]	medium	3	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
violacein	[no description available]	medium	1	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
trifluralin	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
2,4,5,2',4',5'-hexachlorobiphenyl	[no description available]	medium	2	0	hexachlorobiphenyl
phosphoric acid, trisodium salt	[no description available]	medium	1	0	sodium phosphate
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
trinitrotoluene	[no description available]	medium	2	0	trinitrotoluene	explosive
fenamiphos	[no description available]	medium	1	0	organophosphate insecticide; organophosphate nematicide; phosphoramidate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
phthalocyanine	[no description available]	medium	2	0	phthalocyanines; tetrapyrrole fundamental parent
4-methylpyridine	[no description available]	medium	1	0	methylpyridine
manganese	[no description available]	medium	5	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
2,3,4-trichlorophenol	[no description available]	medium	1	0
piperonyl butoxide	[no description available]	medium	2	0	benzodioxoles	pesticide synergist
metsulfuron methyl	[no description available]	medium	1	0	1,3,5-triazines; benzoate ester; N-sulfonylurea	environmental contaminant; herbicide; xenobiotic
isoproturon	[no description available]	medium	3	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; xenobiotic
1,10-phenanthroline	[no description available]	medium	2	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide	[no description available]	medium	1	0	epoxide	intercalator
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
tetrachloroethylene	[no description available]	medium	4	0	chlorocarbon; chloroethenes	nephrotoxic agent
dimethyl sulfoxide	[no description available]	medium	5	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
1-octanol	[no description available]	medium	1	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
beta-escin	[no description available]	medium	2	0
oleanolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
arecoline	[no description available]	medium	2	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
3,4,5,3',4'-pentachlorobiphenyl	[no description available]	medium	2	0	pentachlorobiphenyl; trichlorobenzene
methyl parathion	[no description available]	medium	5	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin
methyl nicotinate	[no description available]	medium	2	0	aromatic carboxylic acid; pyridines
sodium dodecyl sulfate	[no description available]	medium	6	0	organic sodium salt	detergent; protein denaturant
copper sulfate	[no description available]	medium	12	0	metal sulfate	emetic; fertilizer; sensitiser
zinc sulfate	[no description available]	medium	2	0	metal sulfate; zinc molecular entity	fertilizer
9,10-dimethyl-1,2-benzanthracene	[no description available]	medium	3	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
fluoranthene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene
carbofuran	[no description available]	medium	5	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
betadex	[no description available]	medium	4	0	cyclodextrin
ferulic acid	[no description available]	medium	2	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine	[no description available]	medium	1	0	cyanine dye; indolium ion	fluorochrome
carbocyanines	[no description available]	medium	1	0	cyanine dye; organic iodide salt	fluorochrome
poloxalene	[no description available]	medium	2	0	epoxide
zineb	[no description available]	medium	3	0	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
maneb	[no description available]	medium	2	0
thiram	[no description available]	medium	1	0	organic disulfide	antibacterial drug; antifungal agrochemical; antiseptic drug
phenoxy radical	[no description available]	medium	1	0	organic radical
choline	[no description available]	medium	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
antipyrine	[no description available]	medium	1	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ampyrone	[no description available]	medium	1	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
1-palmitoyl-2-oleoylphosphatidylcholine	[no description available]	medium	1	0
1-palmitoyl-2-oleoylphosphatidylethanolamine	[no description available]	medium	1	0	(18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambdalambda(5)-phosphatetracosan-18-yl icosanoate; phosphatidylethanolamine
ubiquinone q1	[no description available]	medium	1	0	ubiquinones
cumene hydroperoxide	[no description available]	medium	2	0	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
ubiquinone	[no description available]	medium	6	0
butachlor	[no description available]	medium	2	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
pentabromophenol	[no description available]	medium	1	0
phytoestrogens	[no description available]	medium	1	0
vitamin k 3	[no description available]	medium	1	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
4-chloroaniline	[no description available]	medium	4	0	chloroaniline; monochlorobenzenes
ferrihydrite	[no description available]	medium	1	0
ouabain	[no description available]	medium	3	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
deuterium	[no description available]	medium	1	0	dihydrogen
chlordan	[no description available]	medium	2	0	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
chiniofon	[no description available]	medium	2	0
2-(n-heptyl)-4-hydroxyquinoline n-oxide	[no description available]	medium	2	0	monohydroxyquinoline
heme	[no description available]	medium	4	0
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
ubiquinol	[no description available]	medium	1	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
menaquinol 6	[no description available]	medium	2	0	menaquinol	electron donor
2-naphthol	[no description available]	medium	5	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
3-chlorobiphenyl	[no description available]	medium	1	0	monochlorobiphenyl
n-dodecane	[no description available]	medium	1	0	alkane	plant metabolite
ethylmaleimide	[no description available]	medium	6	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
singlet oxygen	[no description available]	medium	1	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
molybdate ion	[no description available]	medium	5	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
4,5,6,7-tetrachloro-2-trifluoromethylbenzimidazole	[no description available]	medium	1	0	organochlorine compound
2,5-dihydroxy-1,4-benzoquinone	[no description available]	medium	1	0
2-hydroxy-1,4-benzoquinone	[no description available]	medium	1	0	monohydroxy-1,4-benzoquinones	mouse metabolite
orabase	[no description available]	medium	1	0
cetylpyridinium	[no description available]	medium	1	0	pyridinium ion
picryl chloride	[no description available]	medium	1	0	C-nitro compound; monochlorobenzenes	allergen; epitope; explosive; hapten
cyfluthrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
ziram	[no description available]	medium	1	0	dithiocarbamate salt; zinc molecular entity	antifungal agrochemical; apoptosis inducer
5-carboxyfluorescein diacetate acetoxymethyl ester	[no description available]	medium	1	0
erythrosine	[no description available]	medium	3	0
pyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
2,4,5,2',5'-pentachlorobiphenyl	[no description available]	medium	1	0
methylsulfonylpentachlorobenzene	[no description available]	medium	5	0
pyrene	[no description available]	medium	4	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
acetone	[no description available]	medium	4	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
irgarol 1051	[no description available]	medium	1	0	aryl sulfide; cyclopropanes; diamino-1,3,5-triazine	antifouling biocide; environmental contaminant; xenobiotic
tamoxifen	[no description available]	medium	3	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
2,6-xylenol	[no description available]	medium	1	0	hydroxytoluene
2,4,5-trichlorophenoxyacetic acid	[no description available]	medium	8	0	chlorophenoxyacetic acid; trichlorobenzene	defoliant; phenoxy herbicide; synthetic auxin
agar	[no description available]	medium	2	0
triiodothyronine, reverse	[no description available]	medium	1	0	3,3',5'-triiodothyronine; amino acid zwitterion
methylene chloride	[no description available]	medium	2	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
sepharose	[no description available]	medium	1	0
2,7-dichlorodibenzo-4-dioxin	[no description available]	medium	1	0
sodium sulfate	[no description available]	medium	2	0	inorganic sodium salt
cyclin d1	[no description available]	medium	1	0
acetaldehyde	[no description available]	medium	2	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
chloroacetaldehyde	[no description available]	medium	1	0	organochlorine compound
zeolites	[no description available]	medium	2	0
tetrachlorodian	[no description available]	medium	1	0	bisphenol
dihydrotestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
4-tert-butylbenzoic acid	[no description available]	medium	1	0	alkylbenzene
diacetylfluorescein	[no description available]	medium	2	0
furan	[no description available]	medium	2	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
clinoptilolite	[no description available]	medium	1	0
pectins	[no description available]	medium	1	0	D-galactopyranuronic acid
2,6-dichloroindophenol	[no description available]	medium	1	0	dichlorobenzene; quinone imine
beta-naphthoflavone	[no description available]	medium	3	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
rhodamine b	[no description available]	medium	2	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
quinone	[no description available]	medium	3	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
xenon	[no description available]	medium	1	0	monoatomic xenon; noble gas atom; p-block element atom
tungsten	[no description available]	medium	1	0	chromium group element atom	micronutrient
carbaryl	[no description available]	medium	4	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
deoxyglucose	[no description available]	medium	3	0
iodoacetamide	[no description available]	medium	1	0
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester	[no description available]	medium	1	0
sq-23377	[no description available]	medium	1	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
sodium fluoride	[no description available]	medium	2	0	fluoride salt	mutagen
staurosporine	[no description available]	medium	1	0	ammonium ion derivative
egtazic acid	[no description available]	medium	3	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
pentachlorobenzene	[no description available]	medium	5	0	pentachlorobenzenes	persistent organic pollutant
propoxur	[no description available]	medium	1	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
3-phenylenediamine	[no description available]	medium	1	0	phenylenediamine
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
1-hydroxybenzotriazole	[no description available]	medium	1	0	benzotriazoles
triazoles	[no description available]	medium	1	0	1,2,3-triazole
pyrimethamine	[no description available]	medium	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
3,4,3',4'-tetrachlorobiphenyl	[no description available]	medium	2	0	dichlorobenzene; tetrachlorobiphenyl
2,3,4,5,6-pentachloroaniline	[no description available]	medium	1	0
2,3,5-trichlorophenol	[no description available]	medium	1	0
pentachlorothiophenol	[no description available]	medium	2	0
retinol acetate	[no description available]	medium	1	0	acetate ester
hydroxyacetylaminofluorene	[no description available]	medium	11	0	2-acetamidofluorenes
2-acetylaminofluorene	[no description available]	medium	15	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
dactinomycin	[no description available]	medium	1	0	actinomycin	mutagen
indomethacin	[no description available]	medium	1	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
sodium azide	[no description available]	medium	1	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
sym-trinitrobenzene	[no description available]	medium	1	0	trinitrobenzene	explosive
1,4-dioxane	[no description available]	medium	1	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
1,2-dibromo-3-chloropropane	[no description available]	medium	2	0	organochlorine compound
propane	[no description available]	medium	4	0	alkane; gas molecular entity	food propellant
pyrogallol	[no description available]	medium	3	0	benzenetriol; phenolic donor	plant metabolite
salicylamide	[no description available]	medium	2	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
galactosamine	[no description available]	medium	4	0	D-galactosamine; primary amino compound	toxin
2-aminofluorene	[no description available]	medium	2	0
harmine	[no description available]	medium	4	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
paraoxon	[no description available]	medium	1	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
alpha-naphthoflavone	[no description available]	medium	4	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
diethyl maleate	[no description available]	medium	1	0	ethyl ester; maleate ester	glutathione depleting agent
p-dimethylaminoazobenzene	[no description available]	medium	2	0	azobenzenes
methionine sulfoximine	[no description available]	medium	2	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
2-amino-3-methylimidazo(4,5-f)quinoline	[no description available]	medium	1	0	imidazoquinoline	carcinogenic agent
buthionine sulfoximine	[no description available]	medium	2	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
2,4-dichloro-6-phenylphenoxyethylamine	[no description available]	medium	1	0
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
cysteine	[no description available]	medium	2	0	cysteinium	fundamental metabolite
fluorene	[no description available]	medium	1	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
safrole	[no description available]	medium	6	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
phosphorus radioisotopes	[no description available]	medium	7	0
limestone	[no description available]	medium	1	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
1'-hydroxysafrole	[no description available]	medium	2	0
2,6-dinitrotoluene	[no description available]	medium	2	0	dinitrotoluene	genotoxin
2,4-dinitrotoluene	[no description available]	medium	1	0	dinitrotoluene
dinitrobenzenes	[no description available]	medium	3	0
3-nitrotoluene	[no description available]	medium	1	0	mononitrotoluene
4-nitrotoluene	[no description available]	medium	1	0	mononitrotoluene
2-nitrotoluene	[no description available]	medium	1	0	mononitrotoluene	carcinogenic agent; environmental contaminant
succinic acid	[no description available]	medium	4	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
2,6-dimethoxy-1,4-benzoquinone	[no description available]	medium	1	0
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
3,3',4',5-tetrachlorosalicylanilide	[no description available]	medium	1	0	dichlorobenzene; salicylanilides	drug allergen
sorbose	[no description available]	medium	1	0	L-sorbose; sorbopyranose
aminolevulinic acid	[no description available]	medium	3	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
acetylcysteine	[no description available]	medium	4	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
harmol	[no description available]	medium	3	0	harmala alkaloid
quintozene	[no description available]	medium	2	0	aromatic fungicide; C-nitro compound; pentachlorobenzenes	antifungal agrochemical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
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
antimycin a	[no description available]	medium	9	0	amidobenzoic acid
cyanides	[no description available]	medium	10	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
2,4-dimethylphenol	[no description available]	medium	1	0	aromatic fungicide; phenols	disinfectant; volatile oil component
methiocarb	[no description available]	medium	1	0	aryl sulfide; carbamate ester; methyl sulfide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic
strychnine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
metaldehyde	[no description available]	medium	1	0	tetroxocane	fuel; molluscicide
cholestyramine resin	[no description available]	medium	1	0
glycogen	[no description available]	medium	3	0
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
niclosamide	[no description available]	medium	6	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
1,2,3,5-tetrachlorobenzene	[no description available]	medium	1	0	tetrachlorobenzene
1,2,3,4-tetrachlorobenzene	[no description available]	medium	1	0	tetrachlorobenzene
pentachloromethylthiobenzene	[no description available]	medium	2	0
dicyclohexylcarbodiimide	[no description available]	medium	2	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
nigericin	[no description available]	medium	1	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
sulfobromophthalein	[no description available]	medium	2	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
dieldrin	[no description available]	medium	3	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
benzene	[no description available]	medium	3	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
porphobilinogen	[no description available]	medium	1	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
8-aminoguanosine	[no description available]	medium	1	0
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
2-nitropropane	[no description available]	medium	2	0	secondary nitroalkane	carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic
bathocuproine	[no description available]	medium	1	0
carbon tetrachloride	[no description available]	medium	3	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
calcium hypochlorite	[no description available]	medium	1	0	calcium salt; inorganic calcium salt	bleaching agent
pyrophosphate	[no description available]	medium	3	0	diphosphate ion
4-nitrophenyl sulfate	[no description available]	medium	1	0	aryl sulfate; C-nitro compound	human metabolite
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
veratryl alcohol	[no description available]	medium	1	0	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite
formamide	[no description available]	medium	2	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
neopterin	[no description available]	medium	2	0
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	medium	3	0	imidazopyridine; primary amino compound	carcinogenic agent; mutagen
chlorodiphenyl (54% chlorine)	[no description available]	medium	5	0
4-aminodiphenyl ether	[no description available]	medium	1	0
thiourea	[no description available]	medium	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
nitroscanate	[no description available]	medium	1	0
fenitrothion	[no description available]	medium	1	0	C-nitro compound; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
2,5-dichlorohydroquinone	[no description available]	medium	1	0	dichlorohydroquinone	bacterial xenobiotic metabolite
stiripentol	[no description available]	medium	1	0
chloroform	[no description available]	medium	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
iodine	[no description available]	medium	1	0	diatomic iodine	nutrient
alpha-asarone	[no description available]	medium	1	0	asarone	anticonvulsant; GABA modulator
elemicin	[no description available]	medium	1	0	olefinic compound
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
calcimycin	[no description available]	medium	1	0	benzoxazole
hexacyanoferrate iii	[no description available]	medium	1	0
methylphenazonium methosulfate	[no description available]	medium	2	0	azaheterocycle sulfate salt; phenazines
6-chrysenamine	[no description available]	medium	2	0	carbopolycyclic compound
iodoacetic acid	[no description available]	medium	1	0	haloacetic acid; organoiodine compound	alkylating agent
acetylthiocholine	[no description available]	medium	1	0
mercaptoethanol	[no description available]	medium	2	0	alkanethiol; primary alcohol	geroprotector
1,2,3-trichlorobenzene	[no description available]	medium	1	0	trichlorobenzene
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
psychosine	[no description available]	medium	1	0	glycosylsphingoid	human metabolite
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
nicotine	[no description available]	medium	1	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
nitrilotriacetic acid	[no description available]	medium	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
benz(a)anthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes
sodium molybdate(vi)	[no description available]	medium	1	0	inorganic sodium salt	poison
9-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
glucose, (beta-d)-isomer	[no description available]	medium	1	0	D-glucopyranose	epitope; mouse metabolite
dodecyl-beta-d-maltoside	[no description available]	medium	1	0	disaccharide derivative; glycoside	detergent
1-naphthol	[no description available]	medium	3	0	naphthol	genotoxin; human xenobiotic metabolite
verapamil	[no description available]	medium	2	0	aromatic ether; nitrile; polyether; tertiary amino compound
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
alachlor	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
1,1-diphenylethylene	[no description available]	medium	1	0
triallate	[no description available]	medium	1	0	tertiary amine
dehydroepiandrosterone	[no description available]	medium	2	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
formic acid	[no description available]	medium	2	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
lead	[no description available]	medium	4	0	carbon group element atom; elemental lead; metal atom	neurotoxin
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
2,5,2',5'-tetrachlorobiphenyl	[no description available]	medium	1	0	dichlorobenzene; tetrachlorobiphenyl
gallocatechol	[no description available]	medium	1	0	gallocatechin	antioxidant; metabolite; radical scavenger
phosphoadenosine phosphosulfate	[no description available]	medium	3	0	acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate	Escherichia coli metabolite; mouse metabolite
cephalexin	[no description available]	medium	1	0	benzenetriol
2,6-dichloro-4-hydroquinone	[no description available]	medium	2	0	dichlorohydroquinone
fumaric acid	[no description available]	medium	1	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
fumarates	[no description available]	medium	2	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
2-chloromaleylacetate	[no description available]	medium	1	0
enclomiphene	[no description available]	medium	1	0
maleic hydrazide	[no description available]	medium	1	0	pyridazinone
alpha-resorcylic acid	[no description available]	medium	1	0	dihydroxybenzoic acid; resorcinols	metabolite
2,3-dihydroxybenzoic acid	[no description available]	medium	1	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
triamcinolone acetonide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
phenylalanine	[no description available]	medium	2	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
methoxychlor	[no description available]	medium	2	0	organochlorine insecticide
troglitazone	[no description available]	medium	1	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
mtt formazan	[no description available]	medium	1	0
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
propranolol	[no description available]	medium	2	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
formazans	[no description available]	medium	1	0
mercuric chloride	[no description available]	medium	4	0	mercury coordination entity	sensitiser
acetic anhydride	[no description available]	medium	2	0	acyclic carboxylic anhydride	metabolite; reagent
sulfuric acid	[no description available]	medium	1	0	sulfur oxoacid	catalyst
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
3-methylcholanthrene	[no description available]	medium	4	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
carbon monoxide	[no description available]	medium	6	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
sodium bichromate	[no description available]	medium	1	0	inorganic sodium salt
acenaphthene	[no description available]	medium	1	0	acenaphthenes
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
oxazolidin-2-one	[no description available]	medium	1	0	carbamate ester; oxazolidinone	metabolite
dichlorodiphenyldichloroethane	[no description available]	medium	1	0	chlorophenylethane; monochlorobenzenes; organochlorine insecticide	xenobiotic metabolite
8-epi-prostaglandin f2alpha	[no description available]	medium	1	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
2-chloro-4-nitroaniline	[no description available]	medium	1	0
chloroacetamide	[no description available]	medium	1	0
acetylcellulose	[no description available]	medium	1	0
butylbenzyl phthalate	[no description available]	medium	1	0	benzyl ester
endosulfan	[no description available]	medium	2	0	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
fenpropidine	[no description available]	medium	1	0	piperidines; tertiary amine
sodium metasilicate	[no description available]	medium	1	0	inorganic sodium salt
tetrabutoxy titanium	[no description available]	medium	1	0
dihydroxyacetone phosphate	[no description available]	medium	1	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
amobarbital	[no description available]	medium	6	0	barbiturates
adenosine diphosphate	[no description available]	medium	5	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
adenosine monophosphate	[no description available]	medium	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
potassium iodide	[no description available]	medium	1	0	potassium salt	expectorant; radical scavenger
alanine	[no description available]	medium	1	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
adenylyl imidodiphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate
oligomycins	[no description available]	medium	6	0
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
serine	[no description available]	medium	1	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
threonine	[no description available]	medium	1	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
mannose	[no description available]	medium	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
adenine	[no description available]	medium	1	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
proadifen	[no description available]	medium	3	0	diarylmethane
isoprene	[no description available]	medium	2	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
bilirubin	[no description available]	medium	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
bis(tri-n-butyltin)oxide	[no description available]	medium	3	0	inorganic molecular entity
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
diquat	[no description available]	medium	2	0	organic cation	defoliant; herbicide
chlorates	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
n-nitrosodiphenylamine	[no description available]	medium	1	0	phenylhydrazines
n-hydroxy-4-acetylaminobiphenyl	[no description available]	medium	1	0	hydroxamic acid
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
7-(hydroxymethyl)-12-methylbenz(a)anthracene sulfate ester	[no description available]	medium	1	0
7-hydroxymethyl-12-methylbenz(a)anthracene	[no description available]	medium	1	0	phenanthrenes
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
dipicrylamine	[no description available]	medium	2	0
tetraphenylborate	[no description available]	medium	2	0
1,2-dipalmitoylphosphatidylcholine	[no description available]	medium	3	0
cobalt	[no description available]	medium	1	0	cobalt group element atom; metal allergen	micronutrient
d 888	[no description available]	medium	1	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	1	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
ryanodine	[no description available]	medium	1	0
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
1,4-dihydropyridine	[no description available]	medium	1	0
dihydropyridines	[no description available]	medium	1	0
4-aminopyridine	[no description available]	medium	2	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
amifampridine	[no description available]	medium	2	0	aminopyridine
ethylnitrosourea	[no description available]	medium	1	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
n-nitrosobutylurea	[no description available]	medium	1	0
1-(2-hydroxyethyl)-1-nitrosourea	[no description available]	medium	1	0
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
2,4,6-triiodophenol	[no description available]	medium	1	0
1,2,3,4,6,7,8-heptachlorodibenzodioxin	[no description available]	medium	2	0	polychlorinated dibenzodioxine
dimyristoylphosphatidylcholine	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
1,2-dimyristoylphosphatidylethanolamine	[no description available]	medium	1	0
oligonucleotides	[no description available]	medium	1	0
cytidylyl-3'-5'-guanosine	[no description available]	medium	1	0	(3'->5')-dinucleotide
carbon disulfide	[no description available]	medium	1	0	one-carbon compound; organosulfur compound
boron	[no description available]	medium	1	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
ethylene dibromide	[no description available]	medium	1	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
aldrin	[no description available]	medium	2	0
p-aminoazobenzene	[no description available]	medium	1	0
n-hydroxy-4-aminoazobenzene	[no description available]	medium	1	0
fenofibrate	[no description available]	medium	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
aluminum oxide	[no description available]	medium	1	0
4-hydroxypropranolol	[no description available]	medium	1	0	naphthols
2,4-dichloroaniline	[no description available]	medium	1	0	dichloroaniline
n-(deoxyguanosin-8-yl)acetylaminofluorene	[no description available]	medium	1	0	guanosines
troleandomycin	[no description available]	medium	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
triiodothyronine sulfate	[no description available]	medium	1	0	aryl sulfate; O-sulfoamino acid	human metabolite
3,3'-diiodothyronine	[no description available]	medium	1	0	3,3'-diiodothyronine; amino acid zwitterion	human metabolite
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
benzoic acid	[no description available]	medium	1	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0	stilbenoid
dihydro-dids	[no description available]	medium	1	0
ethacrynic acid	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
dinitrochlorobenzene	[no description available]	medium	2	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
1,2-dichloro-4-nitrobenzene	[no description available]	medium	1	0
1,2-epoxy-3-(p-nitrophenoxy)propane	[no description available]	medium	1	0	aromatic ether; C-nitro compound; epoxide
nitrobenzene	[no description available]	medium	1	0	nitroarene; nitrobenzenes
phenylphosphonic acid	[no description available]	medium	1	0	benzenes
dibromosulphthalein	[no description available]	medium	1	0
praziquantel	[no description available]	medium	1	0	isoquinolines
2-hydroxyamino-3-methylimidazolo(4,5-f)quinoline	[no description available]	medium	1	0	quinolines
4-cyano-n,n-dimethylaniline	[no description available]	medium	1	0
sodium glutamate	[no description available]	medium	1	0	monosodium glutamate	flavouring agent
pyrogallol 1,3-dimethyl ether	[no description available]	medium	1	0	dimethoxybenzene; phenols	plant metabolite
octachlorostyrene	[no description available]	medium	1	0	organochlorine compound
valinomycin	[no description available]	medium	2	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole	[no description available]	medium	1	0	imidazopyridine
carboxin	[no description available]	medium	1	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ubiquinone q2	[no description available]	medium	1	0	ubiquinones
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
clorophene	[no description available]	medium	1	0
cellobiose	[no description available]	medium	1	0	cellobiose	epitope
9-hydroxyellipticine	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound	antineoplastic agent
isosafrole	[no description available]	medium	2	0	benzodioxoles
colestipol	[no description available]	medium	1	0
2-hydroxyamino-6-methyldipyrido(1,2-a-3',2'-d)imidazole	[no description available]	medium	1	0
n-hydroxy-2-aminofluorene	[no description available]	medium	2	0
3-hydroxyamino-1-methyl-5h-pyrido(4,3-b)indole	[no description available]	medium	1	0
1-nitronaphthalene	[no description available]	medium	1	0	mononitronaphthalene	environmental contaminant; mouse metabolite
acetyl coenzyme a	[no description available]	medium	1	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
benzyl acetate	[no description available]	medium	1	0	acetate ester; benzyl ester	metabolite
pyrazole	[no description available]	medium	1	0	pyrazole
s-benzyl-n-acetyl-l-cysteine	[no description available]	medium	1	0	organic sulfide; S-substituted N-acetyl-L-cysteine	human urinary metabolite; rat metabolite
3-hydroxyacetanilide	[no description available]	medium	1	0	acetamides; phenols	non-narcotic analgesic
3-hydroxybutyric acid	[no description available]	medium	1	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
dithionitrobenzoic acid	[no description available]	medium	1	0	nitrobenzoic acid; organic disulfide	indicator
antimycin	[no description available]	medium	1	0
isocitric acid	[no description available]	medium	1	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
triethyltin sulfate	[no description available]	medium	1	0
anthracene	[no description available]	medium	1	0	acene; anthracenes; ortho-fused tricyclic hydrocarbon
thymidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1,2,3,6,7,8-hexachlorodibenzodioxin	[no description available]	medium	1	0	polychlorinated dibenzodioxine
acid phosphatase	[no description available]	medium	1	0
gramicidin a	[no description available]	medium	1	0
coenzyme a	[no description available]	medium	1	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
vitamin k semiquinone radical	[no description available]	medium	1	0
barium	[no description available]	medium	1	0	alkaline earth metal atom; elemental barium
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
glycerol	[no description available]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
thiosulfates	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
naphthoquinones	[no description available]	medium	1	0
trazodone hydrochloride	[no description available]	medium	10	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
isomethyleugenol	[no description available]	medium	5	0	isomethyleugenol
bassianolide	[no description available]	medium	1	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
protocatechuic acid	[no description available]	low	0	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
dihydro-3-coumaric acid	[no description available]	low	0	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
adipic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
diethyl phosphate	[no description available]	low	0	0	dialkyl phosphate	human xenobiotic metabolite; mouse metabolite
o,o-diethyl phosphorothionate	[no description available]	low	0	0	organic thiophosphate	human xenobiotic metabolite; mouse metabolite
melilotic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
norepinephrine, (+,-)-isomer	[no description available]	low	0	0	catecholamine	human xenobiotic metabolite
phthalic acid	[no description available]	low	0	0	benzenedicarboxylic acid	human xenobiotic metabolite
propylene glycol	[no description available]	low	0	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
trimethylamine	[no description available]	low	0	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
mandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; benzenes	antibacterial agent; human xenobiotic metabolite
1,7-dimethylxanthine	[no description available]	low	0	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
psilocin	[no description available]	low	0	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist
estriol	[no description available]	low	0	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
tert-butyl alcohol	[no description available]	low	0	0	tertiary alcohol	human xenobiotic metabolite
trifluoroacetic acid	[no description available]	low	0	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
2-furoic acid	[no description available]	low	0	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
2-phenylbutyric acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	human xenobiotic metabolite
benzohydrol	[no description available]	low	0	0	benzyl alcohols; secondary alcohol	bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite
(3,4-dimethoxyphenyl)acetic acid	[no description available]	low	0	0	dimethoxybenzene; phenylacetic acids	human urinary metabolite; human xenobiotic metabolite
styrene oxide	[no description available]	low	0	0	epoxide	human xenobiotic metabolite
3-toluic acid	[no description available]	low	0	0	methylbenzoic acid	human xenobiotic metabolite
gamma-terpinene	[no description available]	low	0	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component
cyclamic acid	[no description available]	low	0	0	sulfamic acids	environmental contaminant; human xenobiotic metabolite
gamma-valerolactone	[no description available]	low	0	0	butan-4-olide	flavouring agent; human xenobiotic metabolite
cyclohexanone	[no description available]	low	0	0	cyclohexanones	human xenobiotic metabolite
2,5-hexanedione	[no description available]	low	0	0	diketone; methyl ketone	human xenobiotic metabolite; neurotoxin
diethanolamine	[no description available]	low	0	0	ethanolamines	human xenobiotic metabolite
3,4,5-trimethoxybenzoic acid	[no description available]	low	0	0	benzoic acids; methoxybenzenes	human urinary metabolite; human xenobiotic metabolite; plant metabolite
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
1-naphthylamine	[no description available]	low	0	0	naphthylamine	human xenobiotic metabolite
indole-3-carbaldehyde	[no description available]	low	0	0	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite
hydratropic acid	[no description available]	low	0	0	2-arylpropionic acid	human xenobiotic metabolite
tropic acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid	human xenobiotic metabolite
2-hydroxyisobutyric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human xenobiotic metabolite
mandelic acid, (r)-isomer	[no description available]	low	0	0	mandelic acid	human xenobiotic metabolite
phenylglyoxylic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid	biomarker; human xenobiotic metabolite
2-phenyl-2-propanol	[no description available]	low	0	0	benzyl alcohols; tertiary alcohol	human xenobiotic metabolite; Mycoplasma genitalium metabolite
3-hydroxybenzeneacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	human xenobiotic metabolite
methoxyacetic acid	[no description available]	low	0	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
dihydroferulic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
1,6-diaminohexane	[no description available]	low	0	0	alkane-alpha,omega-diamine	human xenobiotic metabolite
phenoxyacetic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
dimethyldiselenide	[no description available]	low	0	0	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite
estetrol	[no description available]	low	0	0	15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone	estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive
4-heptanone	[no description available]	low	0	0	dialkyl ketone	biomarker; human urinary metabolite; human xenobiotic metabolite; rat metabolite
1-methyl-4-phenylpyridinium	[no description available]	low	0	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
4-vinylphenol	[no description available]	low	0	0	phenols	human urinary metabolite; human xenobiotic metabolite
7-hydroxydehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; androstanoid	anti-inflammatory agent; antioxidant; estrogen; human xenobiotic metabolite; rat metabolite
7-methylxanthine	[no description available]	low	0	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite
1,3,5-trimethoxybenzene	[no description available]	low	0	0	methoxybenzenes	biomarker; human xenobiotic metabolite
1-methyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
6-methylthioguanine	[no description available]	low	0	0	2-aminopurines; thiopurine	human xenobiotic metabolite
phenylsulfate	[no description available]	low	0	0	aryl sulfate	human xenobiotic metabolite
1,3,7,9-tetramethyluric acid	[no description available]	low	0	0	oxopurine; purine alkaloid	analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite
mono-n-octyl phthalate	[no description available]	low	0	0	phthalic acid monoester	human xenobiotic metabolite
1,3,7-trimethylurate	[no description available]	low	0	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
n-hydroxy-4-aminobiphenyl	[no description available]	low	0	0	aminobiphenyl; N-substituted amine	carcinogenic agent; human xenobiotic metabolite
4-methylumbelliferyl sulfate	[no description available]	low	0	0	aryl sulfate; coumarins	human xenobiotic metabolite
trimethylselenonium	[no description available]	low	0	0	organic cation	human xenobiotic metabolite
1,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
aspartyl-phenylalanine	[no description available]	low	0	0	dipeptide	human blood serum metabolite; human xenobiotic metabolite
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	[no description available]	low	0	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite
aflatoxin q1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite
androsta-1,4,6-triene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; androstanoid	EC 1.14.14.14 (aromatase) inhibitor; human xenobiotic metabolite
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	low	0	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
11-hydroxytestosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite
mono(2-ethyl-5-oxohexyl)phthalate	[no description available]	low	0	0	methyl ketone; phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite
eseroline	[no description available]	low	0	0	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic
2-(s-glutathionyl)hydroquinone	[no description available]	low	0	0	aryl sulfide; glutathione conjugate; hydroquinones	human xenobiotic metabolite; nephrotoxic agent
tyramine o-sulfate	[no description available]	low	0	0	aryl sulfate; primary amino compound; zwitterion	human urinary metabolite; human xenobiotic metabolite
5,6-didehydrosparteine	[no description available]	low	0	0	organic heterotetracyclic compound; quinolizidine alkaloid; tertiary amino compound	human xenobiotic metabolite
methanearsonous acid	[no description available]	low	0	0	arsonous acids; one-carbon compound	carcinogenic agent; human xenobiotic metabolite; poison
methylselenic acid	[no description available]	low	0	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
glycyrrhetyl 3-monoglucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent
13,14-dihydro-15-ketoprostaglandin e1	[no description available]	low	0	0	prostaglandins E	human xenobiotic metabolite
mono(2-ethyl-5-hydroxyhexyl) phthalate	[no description available]	low	0	0	phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite
n(4)-hydroxycytidine	[no description available]	low	0	0	ketoxime; nucleoside analogue	anticoronaviral agent; antiviral agent; drug metabolite; human xenobiotic metabolite
(-)-gallocatechin gallate	[no description available]	low	0	0	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite
hydroxydione	[no description available]	low	0	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone	human xenobiotic metabolite
3,4-dihydroxyphenylpropionic acid	[no description available]	low	0	0	(dihydroxyphenyl)propanoic acid	antioxidant; human xenobiotic metabolite
indole-3-acetonitrile	[no description available]	low	0	0	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite
3,4-didehydroretinoic acid	[no description available]	low	0	0	retinoid; vitamin A	human xenobiotic metabolite
benzoylecgonine	[no description available]	low	0	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
sodium benzoate	[no description available]	low	0	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
11-hydroxy-delta(9)-tetrahydrocannabinol	[no description available]	low	0	0	phytocannabinoid	human xenobiotic metabolite
cotinine	[no description available]	low	0	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
n-methylthiourea	[no description available]	low	0	0	thioureas	drug metabolite; hepatotoxic agent; human xenobiotic metabolite
4-nitrocatechol	[no description available]	low	0	0	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor
hydroxypioglitazone	[no description available]	low	0	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite
retinol palmitate	[no description available]	low	0	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
kaempferol	[no description available]	low	0	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
leukotriene b5	[no description available]	low	0	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	anti-inflammatory agent; human xenobiotic metabolite; rat metabolite
5,15-dihydroxy-6,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	dihydroxyicosatetraenoic acid	human xenobiotic metabolite; rat metabolite
arachidonic acid 5-hydroperoxide	[no description available]	low	0	0	HPETE	human xenobiotic metabolite
muconic acid	[no description available]	low	0	0	muconic acid	biomarker; human xenobiotic metabolite
ethyl arachidonate	[no description available]	low	0	0	long-chain fatty acid ethyl ester	human blood serum metabolite; human xenobiotic metabolite
trandolaprilat	[no description available]	low	0	0	dicarboxylic acid; dipeptide; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; human xenobiotic metabolite
25-hydroxyvitamin d 2	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
vitamin a2	[no description available]	low	0	0	retinoid; vitamin A	human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite
4-oxoretinoic acid	[no description available]	low	0	0	enone; retinoid	human xenobiotic metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	HPETE	human xenobiotic metabolite
5-oxo-15-hydroxy-6,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	enone; hydroxy polyunsaturated fatty acid; icosanoid; long-chain fatty acid; oxo fatty acid; secondary allylic alcohol	human xenobiotic metabolite
5,12-dihydroxy-6,8,14-eicosatrienoic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human urinary metabolite; human xenobiotic metabolite
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid	[no description available]	low	0	0	hydroxydocosahexaenoic acid; secondary allylic alcohol	human xenobiotic metabolite
riddelliine n-oxide	[no description available]	low	0	0	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite
meso-zeaxanthin	[no description available]	low	0	0	carotenol	anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite
13(S)-HODE	[no description available]	low	0	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
3-hydroxyphenylacetate	[no description available]	low	0	0	hydroxy monocarboxylic acid anion	human xenobiotic metabolite
1,25-dihydroxyergocalciferol	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
demethylmirtazapine	[no description available]	low	0	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; human xenobiotic metabolite; serotonergic antagonist
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; long-chain fatty acid; nonclassic icosanoid; resolvin; triol	anti-inflammatory agent; human xenobiotic metabolite
resolvin d2	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; anti-obesity agent; estrogen receptor agonist; human xenobiotic metabolite; rat metabolite
aflatoxin m1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
protectin d1	[no description available]	low	0	0	dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol	anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator
resolvin e2	[no description available]	low	0	0	diol; hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol	anti-inflammatory agent; human xenobiotic metabolite; rat metabolite
11,12-epoxy-5,8,14-eicosatrienoic acid	[no description available]	low	0	0	11,12-EET	human xenobiotic metabolite
resolvin D4	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; human xenobiotic metabolite
resolvin d3	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; human xenobiotic metabolite
2-hydroxyatrazine	[no description available]	low	0	0	diamino-1,3,5-triazine; monohydroxy-1,3,5-triazine	human xenobiotic metabolite; marine xenobiotic metabolite
bithionol	[no description available]	low	0	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
clopyralid	[no description available]	low	0	0	organochlorine pesticide; pyridines	herbicide
pyoluteorin	[no description available]	low	0	0	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite
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
flucofuron	[no description available]	low	0	0	(trifluoromethyl)benzenes; monochlorobenzenes; organochlorine pesticide; organofluorine pesticide; phenylureas	epitope
aminopyralid	[no description available]	low	0	0	aromatic amine; organochlorine pesticide; pyridines	herbicide
fluensulfone	[no description available]	low	0	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
aminocyclopyrachlor	[no description available]	low	0	0	cyclopropanes; organochlorine pesticide; pyrimidines	herbicide; synthetic auxin
decachlorobiphenyl	[no description available]	low	0	0	pentachlorobenzenes; polychlorobiphenyl
tecnazene	[no description available]	low	0	0	aromatic fungicide; C-nitro compound; tetrachlorobenzene	antifungal agrochemical
chloroneb	[no description available]	low	0	0	aromatic fungicide; dichlorobenzene; dimethoxybenzene	antifungal agrochemical

Article	Year
Pentachlorophenol exposure induced neurotoxicity by disrupting citrulline metabolism in larvae and adult zebrafish. Toxicology and applied pharmacology, 11-01, Volume: 478	2023
Study on the toxic effects of sodium pentachlorophenol (PCP-Na) on razor clam (Sinonovacula constricta). Marine environmental research, Volume: 183	2023
Immunotoxicity of pentachlorophenol to a marine bivalve species and potential toxification mechanisms underpinning. Journal of hazardous materials, 10-05, Volume: 439	2022
Pentachlorophenol has significant adverse effects on hematopoietic and immune system development in zebrafish (Danio rerio). PloS one, Volume: 17, Issue: 3	2022
Microbial community response to the toxic effect of pentachlorophenol in paddy soil amended with an electron donor and shuttle. Ecotoxicology and environmental safety, Dec-01, Volume: 205	2020
3,4-Dihydroxybenzaldehyde attenuates pentachlorophenol-induced cytotoxicity, DNA damage and collapse of mitochondrial membrane potential in isolated human blood cells. Drug and chemical toxicology, Volume: 45, Issue: 3	2022
MEMS biosensor for monitoring water toxicity based on quartz crystal microbalance. Biointerphases, 03-26, Volume: 15, Issue: 2	2020
Protective effect of catechin on pentachlorophenol-induced cytotoxicity and genotoxicity in isolated human blood cells. Environmental science and pollution research international, Volume: 27, Issue: 12	2020
Hepatoprotective effects of the n-butanol extract from Perralderia coronopifolia Coss. against PCP-induced toxicity in Wistar albino rats. Environmental science and pollution research international, Volume: 26, Issue: 30	2019
Metabolic Activation and Cytotoxicity of Aloe-Emodin Mediated by Sulfotransferases. Chemical research in toxicology, 06-17, Volume: 32, Issue: 6	2019
Effects of inhibition of hepatic sulfotransferase activity on renal genotoxicity induced by lucidin-3-O-primeveroside. Journal of applied toxicology : JAT, Volume: 39, Issue: 4	2019
Maternal pentachlorophenol exposure induces developmental toxicity mediated by autophagy on pregnancy mice. Ecotoxicology and environmental safety, Volume: 169	2019
Toxic effects of pentachlorophenol and 2,2',4,4'-tetrabromodiphenyl ether on two generations of Folsomia candida. Ecotoxicology and environmental safety, Oct-30, Volume: 162	2018
Metabolic reduction of resazurin; location within the cell for cytotoxicity assays. Biotechnology and bioengineering, Volume: 115, Issue: 2	2018
Cytotoxicity study of benzo[a]pyrene on blood cells of Wistar rat in vitro. Cellular and molecular biology (Noisy-le-Grand, France), Dec-30, Volume: 62, Issue: 14	2016
Evaluation of Complex Toxicity of Canbon Nanotubes and Sodium Pentachlorophenol Based on Earthworm Coelomocytes Test. PloS one, Volume: 12, Issue: 1	2017
Modification of polychlorinated phenols and evaluation of their toxicity, biodegradation and bioconcentration using three-dimensional quantitative structure-activity relationship models. Journal of molecular graphics & modelling, Volume: 71	2017
A miniaturized electrochemical toxicity biosensor based on graphene oxide quantum dots/carboxylated carbon nanotubes for assessment of priority pollutants. Journal of hazardous materials, Feb-15, Volume: 324, Issue: Pt B	2017
Effect of pyrolysis temperature on polycyclic aromatic hydrocarbons toxicity and sorption behaviour of biochars prepared by pyrolysis of paper mill effluent treatment plant sludge. Bioresource technology, Volume: 192	2015
Rapid fluorescence-based measurement of toxicity in anaerobic digestion. Water research, May-15, Volume: 75	2015
ROS-triggered signaling pathways involved in the cytotoxicity and tumor promotion effects of pentachlorophenol and tetrachlorohydroquinone. Chemical research in toxicology, Mar-16, Volume: 28, Issue: 3	2015
Effect of titanium dioxide nanoparticles on the bioavailability, metabolism, and toxicity of pentachlorophenol in zebrafish larvae. Journal of hazardous materials, Volume: 283	2015
Photocatalytic degradation of pentachlorophenol by N-F-TiO2: identification of intermediates, mechanism involved, genotoxicity and ecotoxicity evaluation. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, Volume: 14, Issue: 3	2015
[Toxicity of three chlorophenols to protozoa Tetrahymena thermophila]. Huan jing ke xue= Huanjing kexue, Volume: 35, Issue: 7	2014
Genotoxicity of 1-methylpyrene and 1-hydroxymethylpyrene in Chinese hamster V79-derived cells expressing both human CYP2E1 and SULT1A1. Environmental and molecular mutagenesis, Volume: 56, Issue: 4	2015
Cytotoxic effects of pentachlorophenol (PCP) and its metabolite tetrachlorohydroquinone (TCHQ) on liver cells are modulated by antioxidants. Cell biology and toxicology, Volume: 30, Issue: 4	2014
Pentachlorophenol toxicity to a mixture of Microcystis aeruginosa and Chlorella vulgaris cultures. Aquatic toxicology (Amsterdam, Netherlands), Volume: 150	2014
Acute toxicity of multi-walled carbon nanotubes, sodium pentachlorophenate, and their complex on earthworm Eisenia fetida. Ecotoxicology and environmental safety, Volume: 103	2014
The immunotoxic effects of dual exposure to PCP and TCDD. Chemico-biological interactions, Nov-25, Volume: 206, Issue: 2	2013
Enhanced cytotoxicity of pentachlorophenol by perfluorooctane sulfonate or perfluorooctanoic acid in HepG2 cells. Chemosphere, Volume: 93, Issue: 9	2013
Dechlorination of chlorinated compounds by Trametes versicolor ATCC 200801 crude laccase and quantitative structure-activity relationship of toxicity. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 47, Issue: 12	2012
Combined toxicity of three chlorophenols 2,4-dichlorophenol, 2,4,6-trichlorophenol and pentachlorophenol to Daphnia magna. Journal of environmental monitoring : JEM, Volume: 14, Issue: 6	2012
[Effects of pentachlorophenol on DNA damage and cytotoxicity of HeLa cells]. Huan jing ke xue= Huanjing kexue, Volume: 33, Issue: 2	2012
Toxic effects of pentachlorophenol, azinphos-methyl and chlorpyrifos on the development of Paracentrotus lividus embryos. Ecotoxicology (London, England), Volume: 21, Issue: 3	2012
Toxicity of pentachlorophenol to native aquatic species in the Yangtze River. Environmental science and pollution research international, Volume: 19, Issue: 3	2012
Impact of black carbon originated from fly ash and soot on the toxicity of pentachlorophenol in sediment. Journal of hazardous materials, Jun-15, Volume: 190, Issue: 1-3	2011
Ecotoxicity of chlorophenolic compounds depending on soil characteristics. The Science of the total environment, Jun-15, Volume: 409, Issue: 14	2011
Photostability and toxicity of pentachlorophenol and phenanthrene. Journal of hazardous materials, May-15, Volume: 189, Issue: 1-2	2011
Aporrectodea caliginosa, a suitable earthworm species for field based genotoxicity assessment? Environmental pollution (Barking, Essex : 1987), Volume: 159, Issue: 4	2011
Sorption and ecotoxicity of pentachlorophenol polluted sediment amended with rice-straw derived biochar. Bioresource technology, Volume: 102, Issue: 5	2011
Soil monitoring of pentachlorophenol by bioavailability and ecotoxicity measurements. Journal of environmental monitoring : JEM, Aug-05, Volume: 12, Issue: 8	2010
[Exploration of developmental toxicity mechanism of pentachlorophenol using cDNA microarray]. Huan jing ke xue= Huanjing kexue, Volume: 30, Issue: 11	2009
An integrated cellular model to evaluate cytotoxic effects in mammalian cell lines. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 23, Issue: 8	2009
Bioaccessibility, bioavailability and ecotoxicity of pentachlorophenol in compost amended soils. Chemosphere, Volume: 77, Issue: 1	2009
Effect of perfluorooctane sulfonate on toxicity and cell uptake of other compounds with different hydrophobicity in green alga. Chemosphere, Volume: 75, Issue: 3	2009
Modulation of signal transduction pathways in lymphocytes due to sub-lethal toxicity of chlorinated phenol. Toxicology letters, Jun-10, Volume: 179, Issue: 1	2008
Individual and joint toxic effects of pentachlorophenol and bisphenol A on the development of zebrafish (Danio rerio) embryo. Ecotoxicology and environmental safety, Volume: 71, Issue: 3	2008
Toxicity and bioaccumulation of xenobiotic organic compounds in the presence of aqueous suspensions of aggregates of nano-C(60). Aquatic toxicology (Amsterdam, Netherlands), Feb-18, Volume: 86, Issue: 3	2008
Studies on the toxic effects of pentachlorophenol on the biological activity of anaerobic granular sludge. Journal of environmental management, Volume: 88, Issue: 4	2008
Development of a Daphnia magna DNA microarray for evaluating the toxicity of environmental chemicals. Environmental toxicology and chemistry, Volume: 26, Issue: 4	2007
Application of a microbial toxicity assay for monitoring treatment effectiveness of pentachlorophenol in water using UV photolysis and TiO2 photocatalysis. Journal of hazardous materials, Sep-05, Volume: 148, Issue: 1-2	2007
Bioaccumulation, sublethal toxicity, and biotransformation of sediment-associated pentachlorophenol in Lumbriculus variegatus (Oligochaeta). Ecotoxicology and environmental safety, Volume: 69, Issue: 1	2008
Bioavailability and toxicity of pentachlorophenol in contaminated soil evaluated on coelomocytes of Eisenia andrei (Annelida: Lumbricidae). Toxicology in vitro : an international journal published in association with BIBRA, Volume: 21, Issue: 2	2007
Mitogenic and cytotoxic effects of pentachlorophenol to AML 12 mouse hepatocytes. International journal of environmental research and public health, Volume: 1, Issue: 2	2004
Ecotoxicity of pentachlorophenol in contaminated soil as affected by soil type. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 41, Issue: 2	2006
[Toxicity effects of pentachlorophenol on Brachydanio rerio]. Ying yong sheng tai xue bao = The journal of applied ecology, Volume: 16, Issue: 10	2005
Toxic effects of pentachlorophenol on Lemna polyrhiza. Ecotoxicology and environmental safety, Volume: 66, Issue: 3	2007
Humic acid toxicity in biologically treated soil contaminated with polycyclic aromatic hydrocarbons and pentachlorophenol. Archives of environmental contamination and toxicology, Volume: 49, Issue: 3	2005
Toxic effects of thiol-reactive compounds on anaerobic biomass. Bioresource technology, Volume: 97, Issue: 4	2006
Cytotoxic effects in mammalian Vero cells exposed to pentachlorophenol. Toxicology, May-15, Volume: 210, Issue: 1	2005
Assessing contaminant sensitivity of endangered and threatened aquatic species: part II. Chronic toxicity of copper and pentachlorophenol to two endangered species and two surrogate species. Archives of environmental contamination and toxicology, Volume: 48, Issue: 2	2005
Induction of cytotoxicity, aldehydic DNA lesions, and poly(ADP-ribose) polymerase-1 activation by catechol derivatives of pentachlorophenol in calf thymus DNA and in human breast cancer cells. Chemical research in toxicology, Volume: 18, Issue: 2	2005
Insight into pollutant bioavailability and toxicity using Raman confocal microscopy. Journal of microbiological methods, Volume: 60, Issue: 3	2005
Toxicity characterization of complex mixtures using biological and chemical analysis in preparation for assessment of mixture similarity. Environmental science & technology, Oct-01, Volume: 38, Issue: 19	2004
[Influential factors on the toxicity of pentachlorophenol sodium with MICROTOX system in water]. Huan jing ke xue= Huanjing kexue, Volume: 25, Issue: 3	2004
Studies on lethal concentrations and toxicity stress of some xenobiotics on aquatic organisms. Chemosphere, Volume: 55, Issue: 2	2004
Temporal changes in the toxicity of pentachlorophenol to Chlorella pyrenidosa algae. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, Volume: 38, Issue: 5	2003
A comparison of two methods for fractionating complex mixtures in preparation for toxicity analysis. Journal of toxicology and environmental health. Part A, Jul-25, Volume: 66, Issue: 14	2003
Toxicokinetics, toxicity and lethal body residues of two chlorophenols in the oligochaete worm, Lumbriculus variegatus, in different sediments. Chemosphere, Volume: 51, Issue: 1	2003
Evaluation of genotoxicity of PCP and 2,4-D by micronucleus test in freshwater fish Channa punctatus. Ecotoxicology and environmental safety, Volume: 54, Issue: 1	2003
[Genotoxic effect of PCP and lindane on human epithelial tonsil cells]. HNO, Volume: 50, Issue: 10	2002
Evaluation of interactive toxicity of chlorophenols in water and soil using lux-marked biosensors. Journal of environmental monitoring : JEM, Volume: 4, Issue: 4	2002
Development of a novel, bioluminescence-based, fungal bioassay for toxicity testing. Environmental microbiology, Volume: 4, Issue: 7	2002
Temperature- and parasite-induced changes in toxicity and lethal body burdens of pentachlorophenol in the freshwater clam Pisidium amnicum. Environmental toxicology and chemistry, Volume: 20, Issue: 12	2001
Synergistic cytotoxicity between pentachlorophenol and copper in a bacterial model. Chemosphere, Volume: 45, Issue: 4-5	2001
[Genotoxic effect of the insecticides pentachlorophenol and lindane on human nasal mucosal epithelium]. Deutsche medizinische Wochenschrift (1946), Jul-27, Volume: 126, Issue: 30	2001
Oxidative stress and liver toxicity in rats and human hepatoma cell line induced by pentachlorophenol and its major metabolite tetrachlorohydroquinone. Toxicology letters, Jun-20, Volume: 122, Issue: 2	2001
Mechanism of the synergistic cytotoxicity between pentachlorophenol and copper-1,10-phenanthroline complex: the formation of a lipophilic ternary complex. Chemico-biological interactions, Dec-15, Volume: 129, Issue: 3	2000
The role of conjugation in hepatotoxicity of troglitazone in human and porcine hepatocyte cultures. Drug metabolism and disposition: the biological fate of chemicals, Volume: 28, Issue: 10	2000
Modifications of the topical Japanese medaka (Oryzias latipes) embryo larval assay for assessing developmental toxicity of pentachlorophenol and p, p'-dichlorodiphenyltrichloroethane. Ecotoxicology and environmental safety, Volume: 47, Issue: 1	2000
Standardized growth toxicity testing (Cu, Zn, Pb, and pentachlorophenol) with Helix aspersa. Ecotoxicology and environmental safety, Volume: 46, Issue: 1	2000
Activation of the hsp70 promoter by environmental inorganic and organic chemicals: relationships with cytotoxicity and lipophilicity. Toxicology, Apr-14, Volume: 145, Issue: 2-3	2000
Protection by desferrioxamine and other hydroxamic acids against tetrachlorohydroquinone-induced cyto- and genotoxicity in human fibroblasts. Free radical biology & medicine, Mar-01, Volume: 28, Issue: 5	2000
[Inhibitory effect of green tea infusion of hepatotoxicity]. Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences, Issue: 116	1998
Influence of environmental adaptation on the sensitivity of micromycetes to pentachlorophenol toxicity in microcosms. The new microbiologica, Volume: 19, Issue: 1	1996
Effects of pentachlorophenol-contaminated food organisms on toxicity and bioaccumulation in the frog Xenopus laevis. Archives of environmental contamination and toxicology, Volume: 24, Issue: 3	1993
Genotoxicity of the alkenylbenzenes alpha- and beta-asarone, myristicin and elimicin as determined by the UDS assay in cultured rat hepatocytes. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 32, Issue: 3	1994
Toxic effects of pentachlorophenol and other pollutants on the mineralization of acetate in several soils. Ecotoxicology and environmental safety, Volume: 26, Issue: 1	1993
Developmental toxicity and structure-activity relationships of chlorophenols using human embryonic palatal mesenchymal cells. Toxicology letters, Volume: 78, Issue: 1	1995
Rapid toxicity assessment using an in vivo enzyme test for Brachionus plicatilis (Rotifera). Ecotoxicology and environmental safety, Volume: 30, Issue: 1	1995
Statistical analysis of joint toxicity in biological growth experiments. Ecotoxicology and environmental safety, Volume: 28, Issue: 2	1994
Modulation of genotoxic and cytotoxic effects of aromatic amines in monolayers of rat hepatocytes. Cell biology and toxicology, Volume: 1, Issue: 1	1984
Acute toxicity of monochlorophenols, dichlorophenols and pentachlorophenol in the mouse. Toxicology letters, Volume: 29, Issue: 1	1985
Effects of pH on the acute toxicity and uptake of [14C]pentachlorophenol in the midge, Chironomus riparius. Ecotoxicology and environmental safety, Volume: 11, Issue: 1	1986
Assessment of pentachlorophenol toxicity in newborn calves: clinicopathology and tissue residues. Journal of animal science, Volume: 61, Issue: 6	1985
A flowthrough fecundity test with Nitocra spinipes (Harpacticoidea Crustacea) for aquatic toxicity. Ecotoxicology and environmental safety, Volume: 14, Issue: 3	1987
Selective pancreatic toxicity of palmitoylpentachlorophenol. Toxicology, Oct-12, Volume: 46, Issue: 1	1987
Modulation of substrate-specific glutathione S-transferase activity in Daphnia magna with concomitant effects on toxicity tolerance. Comparative biochemistry and physiology. C, Comparative pharmacology and toxicology, Volume: 82, Issue: 1	1985
Toxicity test procedures for Hyalella azteca, and chronic toxicity of cadmium and pentachlorophenol to H. azteca, Gammarus fasciatus, and Daphnia magna. Archives of environmental contamination and toxicology, Volume: 18, Issue: 5	1989
Development of a standardized reproduction toxicity test with the earthworm species Eisenia fetida andrei using copper, pentachlorophenol and 2,4-dichloroaniline. Ecotoxicology and environmental safety, Volume: 18, Issue: 3	1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Subchronic administration of technical pentachlorophenol to lactating dairy cattle: immunotoxicologic evaluation. Journal of toxicology and environmental health, Volume: 8, Issue: 4	1981
Subchronic administration of technical pentachlorophenol to lactating dairy cattle: performance, general health, and pathologic changes. Journal of dairy science, Volume: 64, Issue: 1	1981
Strong evidence from studies with brachymorphic mice and pentachlorophenol that 1'-sulfoöxysafrole is the major ultimate electrophilic and carcinogenic metabolite of 1'-hydroxysafrole in mouse liver. Cancer research, Volume: 43, Issue: 11	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pentachlorophenol sorption by variable-charge soils in methanol-water mixture: pH effect at the low solvent volume fraction. Chemosphere, Volume: 70, Issue: 3	2008
Pharmacokinetic study of three synthetic AT-binding pentasaccharides in various animal species-extrapolation to humans. Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis, Volume: 8, Issue: 3	1997
Pharmacokinetics and tolerance of the natural pentasaccharide (SR90107/Org31540) with high affinity to antithrombin III in man. Thrombosis and haemostasis, Volume: 74, Issue: 6	1995
Pharmacokinetic and antithrombotic properties of two pentasaccharides with high affinity to antithrombin III in the rabbit: comparison with CY216. Blood, Oct-15, Volume: 84, Issue: 8	1994
Effects of drinking pattern on the peak/trough blood concentrations in drinking water studies. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 33, Issue: 7	1995
Sources of uncertainty in pharmacokinetic prediction. Journal of animal science, Volume: 56, Issue: 1	1983
Pharmacokinetics of pentachlorophenol in man. Archives of toxicology, Volume: 58, Issue: 3	1986
Pharmacokinetic concepts in assessing intake of pentachlorophenol by rats after exposure through drinking water. Journal of pharmaceutical sciences, Volume: 81, Issue: 11	1992
Assessment of pentachlorophenol exposure in humans using the clearance concept. Human & experimental toxicology, Volume: 11, Issue: 1	1992
A pharmacokinetic study of pentachlorophenol poisoning and the effect of forced diuresis. Clinical toxicology, Volume: 12, Issue: 1	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effects of carboxylated multi-walled carbon nanotubes on bioconcentration of pentachlorophenol and hepatic damages in goldfish. Ecotoxicology (London, England), Volume: 30, Issue: 7	2021
Aerobic Biodegradation of OCDD by Water environment research : a research publication of the Water Environment Federation, Dec-01, Volume: 89, Issue: 12	2017
The use of ultrasound-assisted anaerobic compost tea washing to remove poly-chlorinated dibenzo-p-dioxins (PCDDs), dibenzo-furans (PCDFs) from highly contaminated field soils. Environmental science and pollution research international, Volume: 24, Issue: 23	2017
Effect of titanium dioxide nanoparticles on the bioavailability, metabolism, and toxicity of pentachlorophenol in zebrafish larvae. Journal of hazardous materials, Volume: 283	2015
Enhanced bioaccumulation of pentachlorophenol in carp in the presence of multi-walled carbon nanotubes. Environmental science and pollution research international, Volume: 21, Issue: 4	2014
Evaluating the phytoremediation potential of Phragmites australis grown in pentachlorophenol and cadmium co-contaminated soils. Environmental science and pollution research international, Volume: 21, Issue: 2	2014
Effect of bamboo biochar on pentachlorophenol leachability and bioavailability in agricultural soil. The Science of the total environment, Jan-01, Volume: 414	2012
Impact of chlorophenols on microbiota of an unpolluted acidic soil: microbial resistance and biodegradation. FEMS microbiology ecology, Volume: 78, Issue: 1	2011
Enhancement of chlorophenol sorption on soil by geophagous earthworms (Metaphire guillelmi). Chemosphere, Volume: 82, Issue: 2	2011
Soil monitoring of pentachlorophenol by bioavailability and ecotoxicity measurements. Journal of environmental monitoring : JEM, Aug-05, Volume: 12, Issue: 8	2010
Bioaccessibility, bioavailability and ecotoxicity of pentachlorophenol in compost amended soils. Chemosphere, Volume: 77, Issue: 1	2009
Immobilization of pentachlorophenol in soil using carbonaceous material amendments. Environmental pollution (Barking, Essex : 1987), Volume: 157, Issue: 3	2009
Chloroperoxidase-mediated transformation of highly halogenated monoaromatic compounds. Chemosphere, Volume: 72, Issue: 3	2008
The environmental behaviour of polychlorinated phenols and its relevance to cork forest ecosystems: a review. Journal of environmental monitoring : JEM, Volume: 9, Issue: 10	2007
Bioavailability and toxicity of pentachlorophenol in contaminated soil evaluated on coelomocytes of Eisenia andrei (Annelida: Lumbricidae). Toxicology in vitro : an international journal published in association with BIBRA, Volume: 21, Issue: 2	2007
Bioremediation of soil contaminated with pentachlorophenol (PCP) using humic acids bound on zeolite. Chemosphere, Volume: 66, Issue: 5	2007
Effects of pH and cyclodextrins on pentachlorophenol degradation (mineralization) by white-rot fungi. Journal of environmental management, Volume: 80, Issue: 4	2006
Ecotoxicity of pentachlorophenol in contaminated soil as affected by soil type. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 41, Issue: 2	2006
Bioavailability of pentachlorophenol to earthworms (Eisenia fetida) in artificially contaminated soils. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, Volume: 40, Issue: 10	2005
Insight into pollutant bioavailability and toxicity using Raman confocal microscopy. Journal of microbiological methods, Volume: 60, Issue: 3	2005
Bioavailability of pentachlorophenol to acclimatised bacteria under batch and flow-through conditions. Applied microbiology and biotechnology, Volume: 63, Issue: 4	2004
Pentachlorophenol poisoning. Toxicological reviews, Volume: 22, Issue: 1	2003
Oral bioavailability of pentachlorophenol from soils of varying characteristics using a rat model. Journal of toxicology and environmental health. Part A, Nov-14, Volume: 66, Issue: 21	2003
Toxicokinetics, toxicity and lethal body residues of two chlorophenols in the oligochaete worm, Lumbriculus variegatus, in different sediments. Chemosphere, Volume: 51, Issue: 1	2003
Development of a novel, bioluminescence-based, fungal bioassay for toxicity testing. Environmental microbiology, Volume: 4, Issue: 7	2002
Factors influencing nominal effective concentrations of chemical compounds in vitro: medium protein concentration. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 16, Issue: 3	2002
Modeling pentachlorophenol bioavailability and bioaccumulation by the freshwater fingernail clam Sphaerium corneum using artificial particles and humic acids. Environmental toxicology and chemistry, Volume: 20, Issue: 12	2001
The influence of suspended particles on the acute toxicity of 2-chloro-4-nitro-aniline, cadmium, and pentachlorophenol on the valve movement response of the zebra mussel (Dreissena polymorpha). Archives of environmental contamination and toxicology, Volume: 40, Issue: 4	2001
The effects of fluid motion on toxicant sensitivity of the rotifer Brachionus calyciflorus. Aquatic toxicology (Amsterdam, Netherlands), Volume: 52, Issue: 2	2001
Ecotoxicological evaluation of three deicers (NaCl, NaFo, CMA)-effect on terrestrial organisms. Ecotoxicology and environmental safety, Volume: 48, Issue: 2	2001
Can adsorption isotherms predict sediment bioavailability? Chemosphere, Volume: 41, Issue: 7	2000
Biochemical and pharmacological properties of SANORG 34006, a potent and long-acting synthetic pentasaccharide. Blood, Jun-01, Volume: 91, Issue: 11	1998
Percutaneous absorption of pentachlorophenol from soil. Fundamental and applied toxicology : official journal of the Society of Toxicology, Volume: 20, Issue: 1	1993
Toxicokinetics of pentachloroanisole in F344 rats and B6C3F1 mice. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 23, Issue: 4	1993
Toxicokinetics and biotransformation of pentachlorophenol in the topsmelt (Atherinops affinis). Journal of biochemical toxicology, Volume: 8, Issue: 3	1993
Toxicokinetics of pentachlorophenol in the F344 rat. Gavage and dosed feed studies. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 24, Issue: 6	1994
Toxicokinetics and biotransformation of pentachlorophenol in the sea urchin (Strongylocentrotus purpuratus). Xenobiotica; the fate of foreign compounds in biological systems, Volume: 24, Issue: 8	1994
Acclimatization of roach, Rutilus rutilus (L.), to toxic components of kraft pulp mill effluents. Ecotoxicology and environmental safety, Volume: 15, Issue: 3	1988
Pharmacological profile of the chemically synthesized antithrombin III binding fragment of heparin (pentasaccharide) in rats. Thrombosis and haemostasis, Apr-12, Volume: 63, Issue: 2	1990
Pentachlorophenol toxicokinetics after intravenous and oral administration to rat. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 21, Issue: 12	1991
Dioxin intoxication from chronic exposure of horses to pentachlorophenol-contaminated wood shavings. Journal of the American Veterinary Medical Association, Jul-15, Volume: 201, Issue: 2	1992
Pharmacokinetic concepts in assessing intake of pentachlorophenol by rats after exposure through drinking water. Journal of pharmaceutical sciences, Volume: 81, Issue: 11	1992
Disposition, bioavailability, and serum protein binding of pentachlorophenol in the B6C3F1 mouse. Pharmaceutical research, Volume: 9, Issue: 8	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Validation of a novel and rapid method for the simultaneous determination of some phenolic organohalogens in human serum by GC-MS. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Nov-15, Volume: 1036-1037	2016
Risk assessment and technical feasibility of usage of paper mill sludge biochar-based exhausted adsorbent for geopolymeric brick formation. Environmental science and pollution research international, Volume: 23, Issue: 21	2016
A humic substance analogue AQDS stimulates Geobacter sp. abundance and enhances pentachlorophenol transformation in a paddy soil. Chemosphere, Volume: 160	2016
Effects of pentachlorophenol on the detoxification system in white-rumped munia (Lonchura striata). Journal of environmental sciences (China), Volume: 44	2016
Correlations of Gut Microbial Community Shift with Hepatic Damage and Growth Inhibition of Carassius auratus Induced by Pentachlorophenol Exposure. Environmental science & technology, Oct-06, Volume: 49, Issue: 19	2015
In-situ generated H₂O₂ induced efficient visible light photo-electrochemical catalytic oxidation of PCP-Na with TiO₂. Journal of hazardous materials, May-15, Volume: 288	2015
The comparative photodegradation activities of pentachlorophenol (PCP) and polychlorinated biphenyls (PCBs) using UV alone and TiO2-derived photocatalysts in methanol soil washing solution. PloS one, Volume: 9, Issue: 9	2014
Effects of multigenerational exposures of D. magna to environmentally relevant concentrations of pentachlorophenol. Environmental science and pollution research international, Volume: 21, Issue: 1	2014
Application of bimetallic iron (BioCAT slurry) for pentachlorophenol removal from sandy soil. Journal of hazardous materials, May-15, Volume: 252-253	2013
Toxicity of pentachlorophenol to native aquatic species in the Yangtze River. Environmental science and pollution research international, Volume: 19, Issue: 3	2012
Detection of environmentally persistent free radicals at a superfund wood treating site. Environmental science & technology, Aug-01, Volume: 45, Issue: 15	2011
Degradation of pentachlorophenol by a novel peroxidase-catalyzed process in the presence of reduced nicotinamide adenine dinucleotide. Chemosphere, Volume: 83, Issue: 2	2011
Immunotoxicological effects of a sub-chronic exposure to selected current-use pesticides in rainbow trout (Oncorhynchus mykiss). Aquatic toxicology (Amsterdam, Netherlands), Apr-09, Volume: 92, Issue: 2	2009
Morbidity in former sawmill workers exposed to pentachlorophenol (PCP): a cross-sectional study in New Zealand. American journal of industrial medicine, Volume: 52, Issue: 4	2009
The dechlorination of pentachlorophenol by zerovalent iron in presence of carboxylic acids. Bulletin of environmental contamination and toxicology, Volume: 82, Issue: 2	2009
[Meta-analysis of association between pentachlorophenol exposure and cancer risk]. Wei sheng yan jiu = Journal of hygiene research, Volume: 37, Issue: 2	2008
[Removal of pentachlorophenol catalyzed by immobilized horseradish peroxidase]. Huan jing ke xue= Huanjing kexue, Volume: 28, Issue: 12	2007
The changes of serum testosterone level and hepatic microsome enzyme activity of crucian carp (Carassius carassius) exposed to a sublethal dosage of pentachlorophenol. Ecotoxicology and environmental safety, Volume: 71, Issue: 2	2008
Degradation of pentachlorophenol with zero-valence iron coupled with microwave energy. Journal of hazardous materials, Apr-01, Volume: 152, Issue: 2	2008
The theory underlying dose-response models influences predictions for intermittent exposures. Environmental toxicology and chemistry, Volume: 26, Issue: 3	2007
Dose-response relationships and statistical performance of a battery of bacterial gene profiling assays. Applied microbiology and biotechnology, Volume: 75, Issue: 1	2007
Cancer and occupational exposure to pentachlorophenol and tetrachlorophenol (Canada). Cancer causes & control : CCC, Volume: 17, Issue: 6	2006
DNA damage and repair in haemolymph cells of golden mussel (Limnoperna fortunei) exposed to environmental contaminants. Mutation research, Jun-16, Volume: 605, Issue: 1-2	2006
Pentachlorophenol-induced cytotoxic, mitogenic, and endocrine-disrupting activities in channel catfish, Ictalurus punctatus. International journal of environmental research and public health, Volume: 1, Issue: 2	2004
Seasonal variation in plankton community responses of mesocosms dosed with pentachlorophenol. Ecotoxicology (London, England), Volume: 13, Issue: 7	2004
Catalytic oxidation of pentachlorophenol in contaminated soil suspensions by Fe+3-resin/H2O2. Chemosphere, Volume: 55, Issue: 9	2004
THE DEVELOPMENT IN THE LABORATORY OF RESISTANCE TO SODIUM PENTACHLOROPHENATE IN AUSTRALORBIS GLABRATUS. Bulletin of the World Health Organization, Volume: 29	1963
Field trials of various molluscicides (chiefly sodium pentachlorophenate) for the control of aquatic intermediate hosts of human bilharziasis. Bulletin of the World Health Organization, Volume: 18, Issue: 5-6	1958
H2 consumption during the microbial reductive dehalogenation of chlorinated phenols and tetrachloroethene. Biodegradation, Volume: 14, Issue: 4	2003
CYP1a1, HSP70, P53, and c-fos expression in human liver carcinoma cells (HepG2) exposed to pentachlorophenol. Biomedical sciences instrumentation, Volume: 39	2003
Formation and removal of pentachlorophenol-derived protein adducts in rodent liver under acute, multiple, and chronic dosing regimens. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 73, Issue: 1	2003
Toxicokinetics, toxicity and lethal body residues of two chlorophenols in the oligochaete worm, Lumbriculus variegatus, in different sediments. Chemosphere, Volume: 51, Issue: 1	2003
Fractionation of protein adducts in rats and mice dosed with [14C]pentachlorophenol. Archives of toxicology, Volume: 76, Issue: 11	2002
Effect of chemical interactions in pentachlorophenol mixtures on skin and membrane transport. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 69, Issue: 2	2002
Complete mass balance of dietary polychlorinated dibenzo-p-dioxins and dibenzofurans in dairy cattle and characterization of the apparent synthesis of hepta- and octachlorodioxins. Journal of agricultural and food chemistry, Jul-17, Volume: 50, Issue: 15	2002
Evaluation for Hsp70 as a biomarker of effect of pollutants on the earthworm Lumbricus terrestris. Cell stress & chaperones, Volume: 6, Issue: 2	2001
Protection from drug-induced hepatocellular changes by pretreatment with conjugating enzyme inhibitors in rats. Life sciences, May-04, Volume: 68, Issue: 24	2001
[Decomposition of aqueous sodium pentachlorophenolate (PCP-Na) by using TiO2 coating photocatalyst]. Huan jing ke xue= Huanjing kexue, Volume: 22, Issue: 1	2001
Carcinogenicity assays of wood dust and wood additives in rats exposed by long-term inhalation. International archives of occupational and environmental health, Volume: 74, Issue: 2	2001
Health effects of occupational pentachlorophenol exposure in timber sawmill employees: a preliminary study. The New Zealand medical journal, Sep-25, Volume: 111, Issue: 1074	1998
Laboratory monitoring of pentasaccharide in a dog model of hemodialysis. Thrombosis research, Oct-15, Volume: 96, Issue: 2	1999
Dose-specific production of chlorinated quinone and semiquinone adducts in rodent livers following administration of pentachlorophenol. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 47, Issue: 1	1999
Pentachlorophenol dermal absorption and disposition from soil in swine: effects of occlusion and skin microorganism inhibition. Toxicology and applied pharmacology, Volume: 147, Issue: 2	1997
Efficacy of pentasaccharide in a dog model of hemodialysis. Thrombosis research, Oct-15, Volume: 88, Issue: 2	1997
Antagonism of SR 90107A/Org 31540-induced bleeding by protamine sulfate in rats and mice. Thrombosis and haemostasis, Volume: 76, Issue: 5	1996
Pharmacokinetics and tolerance of the natural pentasaccharide (SR90107/Org31540) with high affinity to antithrombin III in man. Thrombosis and haemostasis, Volume: 74, Issue: 6	1995
Biodegradability simulation studies in semicontinuous activated sludge reactors with low (microgram/L range) and standard (ppm range) chemical concentrations. Chemosphere, Volume: 33, Issue: 4	1996
Modeling blood/plasma concentrations in dosed feed and dosed drinking water toxicology studies. Toxicology and applied pharmacology, Volume: 119, Issue: 1	1993
Toxicokinetics of pentachloroanisole in F344 rats and B6C3F1 mice. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 23, Issue: 4	1993
Hexachlorobenzene-induced hypothyroidism. Involvement of different mechanisms by parent compound and metabolite. Biochemical pharmacology, Oct-19, Volume: 46, Issue: 8	1993
Strong intensification of mouse hepatic tamoxifen DNA adduct formation by pretreatment with the sulfotransferase inhibitor and ubiquitous environmental pollutant pentachlorophenol. Carcinogenesis, Volume: 15, Issue: 5	1994
Effects of pentachlorophenol (PCP) on the pituitary and thyroidal hormone regulation in the rat. Toxicology letters, Volume: 71, Issue: 1	1994
Toxicokinetics of pentachlorophenol in the F344 rat. Gavage and dosed feed studies. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 24, Issue: 6	1994
Tamoxifen: evidence by 32P-postlabeling and use of metabolic inhibitors for two distinct pathways leading to mouse hepatic DNA adduct formation and identification of 4-hydroxytamoxifen as a proximate metabolite. Carcinogenesis, Volume: 15, Issue: 10	1994
Effects of drinking pattern on the peak/trough blood concentrations in drinking water studies. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 33, Issue: 7	1995
Role of sulfation in the formation of DNA adducts from N-hydroxy-2-acetylaminofluorene in rat liver in vivo. Inhibition of N-acetylated aminofluorene adduct formation by pentachlorophenol. Carcinogenesis, Volume: 2, Issue: 5	1981
Sex differences in the metabolism of hexachlorobenzene by rats and the development of porphyria in females. Biochemical pharmacology, Nov-15, Volume: 31, Issue: 22	1982
Mechanism of formation of mercapturic acids from aromatic aldehydes in vivo. Archives of toxicology, Volume: 52, Issue: 3	1983
Plasma pentachlorophenol concentrations in calves exposed to treated wood in the environment. American journal of veterinary research, Volume: 45, Issue: 2	1984
Biodegradation and photolysis of pentachlorophenol in artificial freshwater streams. Applied and environmental microbiology, Volume: 46, Issue: 5	1983
Induction of ornithine decarboxylase and augmentation of tyrosine aminotransferase activity by N-hydroxy-2-acetylaminofluorene and 2-acetylaminofluorene in rat liver. Influence of sex, retinylacetate, indomethacin, and pentachlorophenol. Cancer investigation, Volume: 2, Issue: 4	1984
Assessment of pentachlorophenol toxicity in newborn calves: clinicopathology and tissue residues. Journal of animal science, Volume: 61, Issue: 6	1985
Studies on benzyl acetate. II. Use of specific metabolic inhibitors to define the pathway leading to the formation of benzylmercapturic acid in the rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 24, Issue: 12	1986
Metabolism and disposition of ortho-benzyl-para-chlorophenol in male rats. Journal of toxicology and environmental health, Volume: 18, Issue: 2	1986
Response of the microflora in outdoor experimental streams to pentachlorophenol: environmental factors. Canadian journal of microbiology, Volume: 32, Issue: 1	1986
The fate of 4-cyanoacetanilide in rats and mice; mechanism of formation of a novel electrophilic metabolite. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 18, Issue: 8	1988
Effects of cholesterol feeding on the distribution, metabolism, and accumulation of pentachlorobenzene in rats. Journal of nutritional science and vitaminology, Volume: 35, Issue: 4	1989
Effects of hexachlorobenzene and its metabolites pentachlorophenol and tetrachlorohydroquinone on serum thyroid hormone levels in rats. Toxicology, Mar-25, Volume: 67, Issue: 1	1991
Studies on the toxicology of hexachlorobenzene. II. Identification and determination of metabolites. Archives of toxicology, Mar-11, Volume: 35, Issue: 2	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

pentachlorophenol

Description

Cross-References

Synonyms (201)

Research Excerpts

Overview

Effects

Treatment

Roles (1)

Drug Classes (4)

Protein Targets (69)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (191)

Molecular Functions (53)

Ceullar Components (38)

Bioassays (77)

Research

Studies (1,844)

Study Types

Research Highlights

Safety/Toxicity (112)

Long-term Use (4)

Pharmacokinetics (10)

Onset of Action (1)

Bioavailability (45)

Dosage (74)

Article	Year
Antifactor Xa activity and antithrombotic activity in rats of structural analogues of the minimum antithrombin III binding sequence: discovery of compounds with a longer duration of action than of the natural pentasaccharide. Seminars in thrombosis and hemostasis, Volume: 17 Suppl 1	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

pentachlorophenol

Description

Cross-References

Synonyms (201)

Research Excerpts

Overview

Effects

Treatment

Roles (1)

Drug Classes (4)

Protein Targets (69)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (191)

Molecular Functions (53)

Ceullar Components (38)

Bioassays (77)

Research

Studies (1,844)

Study Types

Related Drugs (1,574)

Related Conditions (961)

Research Highlights

Safety/Toxicity (112)

Long-term Use (4)

Pharmacokinetics (10)

Onset of Action (1)

Bioavailability (45)

Dosage (74)