biotin profile

vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (17)

biotin is involved in 17 pathway(s), involving a total of 3209 unique proteins and 1987 unique compounds

ID Source	ID
PubMed CID	171548
CHEMBL ID	857
CHEBI ID	15956
SCHEMBL ID	8763
MeSH ID	M0002565

Synonym
smr000112255
MLS001066402
AC-19998
MLS001331736
BRD-K89210380-001-03-8
biotina
cis-hexahydro-2-oxo-1h-thieno(3,4)imidazole-4-valeric acid
biotine
d-(+)-biotin
5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
biotinum
(3as,4s,6ar)-hexahydro-2-oxo-1h-thieno[3,4-d]imidazole-4-valeric acid
(+)-cis-hexahydro-2-oxo-1h-thieno[3,4]imidazole-4-valeric acid
cis-(+)-tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
CHEBI:15956 ,
cis-tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as-(3aalpha,4b,6aalpha))-
biotinum [inn-latin]
1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as,4s,6ar)-
biotine [inn-french]
einecs 200-399-3
vitamin bw
medebiotin
biotina [inn-spanish]
beta-biotin
injacom h
bios ii
factor s
bioepiderm
factor s (vitamin)
(+)-biotin
nsc-63865
biotin (jp17/usp/inn)
D00029
bioepiderm (tn)
PROBES2_000006
cid_253
cas-58-85-5
5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
cid_171548
bdbm12
BPBIO1_000414
BSPBIO_000376
NCGC00179580-01
PRESTWICK3_000418
MLS001333089
1h-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as,4s,6ar)- (9ci)
biotin (8ci)
biodermatin
rovimix h 2
lutavit h2
1h-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as,4s,6ar)-
ccris 3932
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid, (3as-(3aalpha,4beta,6aalpha))-
d-biotin factor s
ai3-51198
meribin
hsdb 346
nsc 63865
1h-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
2'-keto-3,4-imidazolido-2-tetrahydrothiophene-n-valeric acid
(3as-(3aalpha,4b,6aalpha))-hexahydro-2-oxo-1h-thieno(3,4-d)imidaz- ole-4-pentanoic acid
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid
1h-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3aalpha,4beta,6aalpha)]-
(3as,4s,6ar)-hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-valeric acid
d(+)-biotin
AB00374191
58-85-5
BIOTIN ,
vitamin h
C00120
coenzyme r
vitamin b7
d-biotin
d-biotin, analytical standard
biotin, >=99% (tlc), lyophilized powder
biotin, powder, bioreagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=99%
biotin, plant cell culture tested, >=99% (tlc)
biotin, meets usp testing specifications
1SWP
DB00121
2F01
1N43
1SWK ,
2AVI
1AVD
1SWN ,
1NDJ
1STP
2GH7
1DF8
1SWG
1N9M
1SWR ,
PRESTWICK2_000418
PRESTWICK1_000418
SPBIO_002315
PRESTWICK0_000418
MLS001074888
5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid
BIOTIN111IN
5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoic acid
6AE43AA3-BC3D-4C49-9DB9-5913A2401EB6
B0463
md-1003
ritatin
CHEMBL857
BMSE000227
3h-biotin
HMS1569C18
STK801941
AKOS001287669
5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
NCGC00179580-02
HMS2096C18
d(+)biotin
tox21_302161
NCGC00255377-01
dtxcid102679
dtxsid7022679 ,
tox21_113050
M02926
56846-45-8
HMS2271O06
unii-6so6u10h04
6so6u10h04 ,
biotin [usp:inn:jan]
BP-20441
biotin [jan]
biotin [fcc]
biotin [vandf]
biotin [inn]
biotin [ep impurity]
biotin [mi]
biotin [usp-rs]
biotin [hsdb]
d-biotin [vandf]
biotin [mart.]
biotin [orange book]
biotin [ep monograph]
biotin [inci]
biotin [who-dd]
biotin [usp monograph]
AB00374191-08
4BJ8
3T2W
4GGZ
4JNJ
S3130
gtpl4787
5-((3as,4s,6ar)-rel-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoic acid
CCG-220418
HY-B0511
5-((3ar,6s,6as)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid
YBJHBAHKTGYVGT-ZKWXMUAHSA-N
BBL028095
SCHEMBL8763
NCGC00179580-04
tox21_113050_1
hexahydro-2-oxo-1h-thieno[3,4-d]imidazole-4-pentanoic acid
Q-200929
daunorubicin hydrochloride, antibiotic for culture media use only
AB00374191_11
4BCS
mfcd00005541
biotin, european pharmacopoeia (ep) reference standard
biotin, certified reference material, tracecert(r)
sr-01000765521
SR-01000765521-2
biotin, tested according to ph.eur.
biotin, united states pharmacopeia (usp) reference standard
biotin, >=99.0% (t)
biotin, saj special grade, >=98.0%
AC8089
biotin, pharmaceutical secondary standard; certified reference material
biotin, vetec(tm) reagent grade, >=99%
HMS3713C18
(3as,4s,6ar)-hexahydro-2-oxo-1h-thieno[3,4-d]imidazole-4-valerate
delta-biotin
cis-(+)-tetrahydro-2-oxothieno[3,4]imidazoline-4-valerate
hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1h-thieno[3,4-d]imidazole-4-pentanoate
hexahydro-2-oxo-[3as-(3aa,4b,6aa)]-1h-thieno[3,4-d]imidazole-4-pentanoic acid
vitamin-h
bios h
(+)-cis-hexahydro-2-oxo-1h-thieno[3,4]imidazole-4-valerate
hexahydro-2-oxo-[3as-(3aa,4b,6aa)]-1h-thieno[3,4-d]imidazole-4-pentanoate
hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1h-thieno[3,4-d]imidazole-4-pentanoic acid
delta-biotin factor s
5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoate
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoate
delta-(+)-biotin
biotin for system suitability, european pharmacopoeia (ep) reference standard
Z210803762
F2173-0855
l-biotin
d-biotin 10 microg/ml in acetonitrile
Q181354
AMF0005
BRD-K89210380-001-13-7
A929752
biotin for system suitability
EN300-54173
hairjoy eyebrow signature
tk-nax
bonogen activatorhair loss treatment
biotinum (inn-latin)
hairjoy eyelash signature
hairq-plus
cis-hexahydro-2-oxo-1h-thieno
biotin (usp-rs)
a11ha05
exoscrt scalp care hrlv
biotin drops2081
biona-vitcontrols and prevents hair loss
biotin (usp monograph)
biotin drops
subir
biotin (ep impurity)
spai-sonsprocapell
spai-sonsprolac-vit
biotine (inn-french)
biotin (usp:inn:jan)
twinkle essence
cis-tetrahydro-2-oxothieno
biotitum
amerix biotin
biotin (mart.)
biotin (ep monograph)
biotina (inn-spanish)
20 - potency of multivitamin supplements

Excerpt	Reference
"Biotin is a water-soluble B complex vitamin and coenzyme of five types of carboxylase and plays crucial roles in fatty acid, glucose, and amino acid metabolism. "	( Hata, A; Ishihara, R; Kohno, Y; Kuroishi, T; Mashimo, Y; Okamoto, Y; Sakurai-Yageta, M; Shimojo, N; Suzuki, Y, 2021)
"Biotin is an important enzyme cofactor that plays a key role in all three domains. "	( Hassan, BH; Lan, F; Liu, Y; Wang, S; Wei, W; Wu, L, 2021)
"Biotin is an essential metabolic cofactor and de novo biotin biosynthetic pathways are widespread in microorganisms and plants. "	( Cronan, JE; Song, X, 2021)
"Biotin is a water-soluble vitamin that can be attached to a variety of proteins and nucleic acids, often without altering their properties. "	( Green, MR; Sambrook, J, 2021)
"Biotin is a key cofactor of metabolic carboxylases, although many rhizobial strains are biotin auxotrophs. "	( Aguilar, A; Arteaga-Ide, A; Dunn, MF; Encarnación, S; Girard, L; Mora, J; Mora, Y; Peralta, H; Reyes-González, AR; Vargas-Lagunas, C, 2022)
"Biotinylation is a post-translation modification in which the biotin molecule is attached to lysine or tyrosine residues."	( Freitas, FC; Maldonado, M; Oliveira Junior, AB; Oliveira, RJ; Onuchic, JN, 2022)
"Biotin is an essential vitamin and critical cofactor in several metabolic pathways, and its deficiency has been linked to several disorders including inflammatory bowel disease (IBD). "	( Hwang, M; Jacobs, JP; Liang, F; Sabui, S; Said, HM; Skupsky, J; Yang, JC, 2023)
"Biotin is an important cofactor, of which the de novo synthesis is an attractive antimicrobial target in certain recalcitrant infections."	( Cao, Q; Feng, Y; Hu, X; Lan, L; Shi, Y; Su, Z; Sun, J; Xu, Y; Zhang, H, 2023)
"Biotinylation is a promising new alternative to the gold standard of radioactive labeling."	( de Bruin, S; de Korte, D; Peters, AL; van Baarle, FLF; van Bruggen, R; van Wonderen, SF; Vlaar, APJ, 2023)
"Biotin is an essential coenzyme that is bound to carboxylases and participates in fatty acid synthesis. "	( Akao, T; Kadokura, T; Kiyoshi, K; Moriya, C; Nakayama, S; Takase, S; Tanaka, J; Tomonaga, K; Watanabe, K, 2023)
"Biotin is a water-soluble vitamin that acts as a cofactor for carboxylase, and is often used as a component in several immunoassays. "	( Emoto, M; Fujiwara, N; Hamaoka, A; Inami, M; Kamei, N; Morioka, T; Shimmaru, K, 2023)
"Biotin is a commonly used supplement for hair, nail, and skin. "	( James, A; Kuzhively, J; Stalan, J, 2023)
"Biotinylation is a versatile technique that has been used to label proteins for a variety of applications. "	( Santamaria, S, 2020)
"Biotin is a water-soluble vitamin that is indispensable for human health. "	( Cahalan, MD; Hwang, M; Nakasaki, M; Sabui, S; Said, HM; Skupsky, J, 2020)
"Biotin is a naturally occurring compound, and its presence in siRNA sequences will not induce additional side effects."	( Mobergslien, A; Sioud, M, 2020)
"Biotin is an important cofactor for multiple enzymes in central metabolic processes. "	( Allert, S; Graf, K; Hartung, TS; Hube, B; Jacobsen, ID; Kasper, L; Niemiec, MJ; Sprenger, M; Wisgott, S, 2020)
"Biotin is an interference in many streptavidin-biotin based immunoassays, causing falsely decreased results with sandwich immunoassays and falsely increased results with competitive immunoassays. "	( Wiencek, JR; Yang, J, 2020)
"Biotin is a water-soluble B-complex vitamin that functions as a cofactor of five carboxylases. "	( Kuroishi, T; Sugawara, S, 2020)
"Biotin is an important cofactor in several metabolic pathways in humans. "	( Lipner, SR; Waqas, B; Wu, A; Yim, E, 2022)
"Biotin is a cofactor for carboxylases involved in ATP production that impact myelin production by promoting fatty acid synthesis."	( Antel, J; Cui, QL; Fernandes, MGF; Kennedy, TE; Lin, YH; Rao, VTS; Xu, YKT, 2020)
"Biotin is a covalently attached enzyme cofactor required for intermediary metabolism in all three domains of life. "	( Cronan, JE; Sirithanakorn, C, 2021)
"Biotin is an essential micro-nutrient across the three domains of life. "	( Cui, T; Feng, Y; Guan, H; Hassan, BH; Jia, X; Li, J; Liao, Y; Ouyang, S; Wei, W; Xu, Y; Zhang, H; Zhang, S, 2021)
"Biotin is an over-the-counter supplement known to interfere with lab assays, including thyroid function tests."	( A Gold, K; C Barnachea, L; N Ridgway, F, 2021)
"Biotin is a common functional handle for bioconjugation to proteins and DNA, but its uses are limited to protein-containing conjugation partners such as streptavidin and derivatives thereof. "	( Cotton, AD; Seiple, IB; Wells, JA, 2022)
"Biotin is an essential cofactor utilized by all domains of life, but only synthesized by bacteria, fungi and plants, making biotin biosynthesis a target for antimicrobial development. "	( Boyle, KE; Fay, A; Glickman, MS; Lazar, N; Nandakumar, M; Rhee, K; Xavier, J, 2017)
"Biotin-streptavidin is a very popular system used to gain insight into protein-ligand interactions. "	( Tiwary, P, 2017)
"Biotin is an essential cofactor for multiple metabolic reactions catalyzed by carboxylases. "	( Kemphues, KJ; Morton, DG; Watts, JL; Watts, JS, 2018)
"Biotin (Vitamin B7) is a critical enzyme co-factor in metabolic pathways important for bacterial survival. "	( Booker, GW; Eijkelkamp, BA; McDevitt, CA; Polyak, SW; Satiaputra, J; Shearwin, KE, 2018)
"Biotin is an essential cofactor in living organisms. "	( Guan, Z; He, J; Pei, K; Tang, Q; Yan, L; Zou, T, 2018)
"Biotin is a component of the vitamin B complex used in standard immunoassays to detect serum levels of various hormones and non-hormones, including thyrotropin (TSH) and thyroxine. "	( Agrawal, N; Blum, M; Charles, S, 2019)
"Biotin is an essential cofactor required for carboxylation and decarboxylation reactions in all domains of life. "	( Chow, J; Danso, D; Ferrer, M; Streit, WR, 2018)
"Biotin, which serves as a carboxyl group carrier in reactions catalyzed by biotin-dependent carboxylases, is essential for life in most organisms. "	( Beckett, D, 2018)
"Biotin is a water soluble B-vitamin and is marketed to improve the cosmetic appearance of hair, skin, and nails."	( de Koning, L; Gifford, JL; Sadrzadeh, SMH, 2019)
"Biotin is an indispensable adipogenic agent, and its ability to coordinate carbohydrate, lipid, and amino acid metabolism sensitizes insulin signaling in adipocytes. "	( Ganesan, D; Jayavelu, T; Rajasekaran, S; Ramaian Santhaseela, A; Selvam, S, 2019)
"Biotin is an essential cofactor in M."	( Aldrich, CC; Bockman, MR; Mishra, N, 2020)
"Biotin is a water-soluble vitamin that belongs to the vitamin B complex and which is an essential nutrient of all living organisms from bacteria to man. "	( León-Del-Río, A, 2019)
"Biotin is a significant confounder in many immunoassays. "	( Mrosewski, I; Neumann, I; Switkowski, R, 2019)
"Biotin is a water-soluble vitamin belonging to the B group."	( Bartoszewicz, Z; Bednarczuk, T; Glinicki, P; Ostrowska, M; Walczak, K; Zgliczyński, W, 2019)
"Biotin is a member of the vitamin B complex family and its deficiency has been associated with neurogenesis impairment in animals and humans."	( Abdel-Magied, N; Ahmed, AG; Shedid, SM, 2019)
"Neurobiotin backfilling is a known technique in other molluscs, but it is applied to octopus for the first time to be best of our knowledge."	( Fiorito, G; Imperadore, P; Lepore, MG; Pflüger, HJ; Ponte, G, 2019)
"Biotin-labeled PLTs are an attractive nonradioactive option."	( Biemond, BJ; de Bruin, S; de Korte, D; Gouwerok, E; Sijbrands, D; van Bruggen, R; van de Weerdt, EK; Vlaar, APJ; Vlaar, R, 2019)
"Biotin is an important factor affecting the performance of glutamate fermentation by biotin auxotrophic Corynebacterium glutamicum and glutamate is over-produced only when initial biotin content is controlled at suitable levels or initial biotin is excessive but with Tween 40 addition during fermentation. "	( Cao, Y; Duan, Z; Shi, Z, 2014)
"Biotin is a water-soluble vitamin that acts as a cofactor for several carboxylases. "	( Ando, S; Ebara, S; Ishii, Y; Matsui, T; Sawamura, H; Watanabe, T; Yuasa, M, 2013)
"Biotinylation is a relatively rare modification of endogenous proteins that allows easy detection with negligible cross-reactivity."	( Castro-Obregón, S; Fauler, B; Gagoski, D; Hartl, D; Klatt, S; Konthur, Z, 2013)
"Biotin is a naturally occurring vitamin that binds with high affinity to avidin and streptavidin proteins. "	( Alegria-Schaffer, A, 2014)
"Biotin is a water-soluble vitamin, andit belongs to the vitamin B family."	( Fujiwara, K; Hosokawa, A; Ichiba, Y; Kajiume, S; Kiba, T; Kimoto, S; Nakano, K; Nakashima, T; Ogawa, Y; Okada, Y; Taniguchi, H, 2014)
"Biotin is a water-soluble vitamin serving as a cofactor for several metabolic enzymes and plays crucial roles in every living cell. "	( Ikeda, T; Miyao, H; Sueda, S, 2014)
"Biotin functions as a cofactor for several carboxylase enzymes with key roles in metabolism. "	( Caudill, MA; Gayle, A; Jiang, X; Lucas, LK; Malysheva, O; Perry, CA; West, AA; Yan, J, 2014)
"Biotin is a vitamin acting as a coenzyme for carboxylases involved in key steps of energy metabolism and fatty acids synthesis."	( Bellanger, A; Galanaud, D; Gout, O; Lebrun-Frenay, C; Lyon-Caen, O; Papeix, C; Sedel, F; Touitou, V; Tourbah, A, 2015)
"Biotin is a water-soluble B-complex vitamin and is well-known as a co-factor for 5 indispensable carboxylases. "	( Kuroishi, T, 2015)
"Biotin is a B vitamin involved in multiple metabolic pathways. "	( Abrenica, B; Bagchi, RA; Czubryt, MP; Dakshinamurti, K, 2015)
"Biotin is an essential co-factor for five carboxylases involved in fatty acid synthesis and energy production."	( Bernard, D; Mock, DM; Sedel, F; Tourbah, A, 2016)
"Biotin acts as a coenzyme for carboxylases regulating lipid and amino-acid metabolism. "	( Bogl, LH; Heinonen, S; Ismail, K; Järvinen, E; Kaprio, J; Miettinen, S; Muniandy, M; Ollikainen, M; Pietiläinen, KH; Rissanen, A; Tummers, M, 2016)
"Biotin is an essential vitamin which plays an important role for maintaining normal physiological function. "	( Chen, CS; Chen, WY; Shah, P; Sung, TC, 2016)
"Biotinylation is an obligate posttranslational modification for five mammalian carboxylases: acetyl-CoA carboxylase α (ACCα), ACCβ, pyruvate carboxylase (PC), methylcrotonyl-CoA carboxylase (MCC), and propionyl-CoA carboxylase (PCC)."	( Bailey, SM; Chatham, JC; Chow, CW; Hamm, JA; He, L; McGinnis, GR; Peliciari-Garcia, RA; Reddy, A; Rowe, GC; Sams, D; Young, ME, 2016)
"Biotin is an essential micronutrient, and is a cofactor for several carboxylases that are involved in the metabolism of glucose, fatty acids, and amino acids. "	( Abe, M; Ishiguro, M; Kamiyama, S; Moriki, A; Ohnuki, R; Sone, H, 2016)
"Biotin is an essential cofactor for enzymes present in key metabolic pathways such as fatty acid biosynthesis, replenishment of the tricarboxylic acid cycle, and amino acid metabolism. "	( Booker, GW; Polyak, SW; Salaemae, W, 2016)
"Biotin is a water-soluble vitamin that functions as a cofactor for biotin-dependent carboxylases. "	( Aoyama, Y; Ebara, S; Fukui, T; Negoro, M; Sawamura, H; Shimada, R; Watanabe, T; Yuasa, M, 2016)
"Biotin (vitamin B7) is an essential co-factor for four carboxylases involved in fatty acid metabolism, leucine degradation, and gluconeogenesis. "	( Conaglen, JV; Du Toit, S; Elston, MS; Sehgal, S; Yarndley, T, 2016)
"Biotin is a water-soluble vitamin required for the function of carboxylases as well as for the regulation of gene expression. "	( Arias-Mayenco, I; Bonilla-Henao, V; González-Rodríguez, P; Levitsky, KL; López-Barneo, J; Macías, D; Ortega-Sáenz, P; Rodríguez-Gómez, JA, 2016)
"Biotin is an archetypal vitamin used as cofactor for carboxylation reactions found in all forms of life. "	( Bahls, MO; Jeschek, M; Marlière, P; Panke, S; Schneider, V; Ward, TR, 2017)
"Biotin is an essential micronutrient and its levels are high in rapidly proliferating cells such as cancer cells. "	( Kumar, A; Palakurthi, S; Yellepeddi, VK, 2009)
"Biotin is a critical factor in the elongation of PUFA."	( Audet, I; Bailey, JL; Castellano, CA; Chouinard, PY; Laforest, JP; Matte, JJ, 2010)
"Biotin is an essential enzyme cofactor that acts as a CO2 carrier in carboxylation and decarboxylation reactions. "	( Delli-Bovi, TA; Prigge, ST; Spalding, MD, 2010)
"Biotin, which functions as an essential cofactor for certain carboxylases and decarboxylases, is synthesized by a multistep pathway in microorganisms and plants. "	( Gao, Q; Li, M; Liu, J; Niu, C; Sun, G; Teo, W; Wang, D; Wang, J; Yu, J, 2011)
"Biotin is an essential water-soluble vitamin crucial for maintaining normal body functions. "	( Schlegel, V; Wang, D; Zempleni, J; Zhou, J, 2011)
"Biotin is a widely distributed water soluble vitamin. "	( Murakami, T; Takakura, K; Yamano, T, 2010)
"Biotin is an enzyme cofactor indispensable to metabolic fixation of carbon dioxide in all three domains of life. "	( Cronan, JE; Lin, S, 2011)
"Biotin synthase is a member of the radical SAM superfamily, composed of enzymes that reductively cleave S-adenosyl-l-methionine (SAM or AdoMet) to generate a 5'-deoxyadenosyl radical that can abstract unactivated hydrogen atoms from a variety of organic substrates."	( Britt, RD; Jarrett, JT; Stoll, S; Taylor, AM, 2011)
"Biotin serves as a covalently bound coenzyme in five human carboxylases; biotin is also attached to histones H2A, H3, and H4, although the abundance of biotinylated histones is low. "	( Baier, S; Cordonier, EL; Kuroishi, T; Teixeira, DC; Zempleni, J, 2012)
"Biotin is an important micronutrient that serves as an essential enzyme cofactor. "	( Azhar, A; Booker, GW; Polyak, SW; Salaemae, W, 2011)
""Biotin-avidin" is a reliable method to attach molecular probe onto the surface of microbubbles."	( Chen, LD; Huang, GL; Liu, GJ; Lu, MD; Wang, W; Xie, XY; Xu, ZF; Zhou, LY, 2012)
"Biotin synthase is an S-adenosyl-l-methionine (SAM or AdoMet) radical enzyme that catalyzes reduction of the AdoMet sulfonium to produce 5'-deoxyadenosyl radicals, high-energy carbon radicals that can directly abstract hydrogen atoms from dethiobiotin."	( Fugate, CJ; Jarrett, JT, 2012)
"Biotin synthase is a radical S-adenosylmethionine (SAM) enzyme that reductively cleaves S-adenosylmethionine, generating 5'-deoxyadenosyl radicals that initially abstract a hydrogen atom from the C9 position of dethiobiotin."	( Britt, RD; Fugate, CJ; Jarrett, JT; Kim, EG; Myers, WK; Stich, TA, 2012)
"Biotin is an essential vitamin that binds streptavidin or avidin with high affinity and specificity. "	( Chen, T; Hedman, K; Hedman, L; Jartti, L; Jartti, T; Mattila, PS; Ruuskanen, O; Söderlund-Venermo, M, 2012)
"Biotin is an important molecule for modern biological studies including, e.g., cellular transport. "	( Bestas, B; Honcharenko, M; Jezowska, M; Romanowska, J; Tedebark, U, 2012)
"Biotin (vitamin H) is a key enzyme cofactor required in all three domains of life. "	( Cronan, JE; Feng, Y; Zhang, H, 2013)
"Biotin is a necessary cofactor of numerous biotin-dependent carboxylases in a variety of microorganisms. "	( Gelfand, MS; Mironov, AA; Rodionov, DA, 2002)
"Biotin is an essential micronutrient for normal cellular function, growth, and development. "	( Brandsch, M; Grafe, F; Neubert, RH; Wohlrab, W, 2003)
"Biotin synthase (BS) is an AdoMet-dependent radical enzyme that catalyzes the insertion of sulfur into saturated C6 and C9 atoms in the substrate dethiobiotin. "	( Frederick, KK; Jarrett, JT; Ugulava, NB, 2003)
"Biotin is a water-soluble vitamin which plays an important biochemical role in a variety of carboxylase-mediated metabolic reactions. "	( Claustrat, B; Harthé, C, 2003)
"Biotin is an essential cofactor for a variety of carboxylase and decarboxylase reactions and is involved in diverse metabolic pathways of all organisms. "	( Genser, M; Ginzberg, I; Kapulnik, Y; Nemas, C; Perl, A; Wininger, S, 2004)
"Biotin is an essential cofactor of cell metabolism serving as a protein-bound coenzyme in ATP-dependent carboxylation, in transcarboxylation, and certain decarboxylation reactions. "	( Hoja, U; Kim, HS; Sauer, G; Schweizer, E; Stolz, J, 2004)
"Biotin synthase is an S-adenosyl-L-methionine (SAM) radical enzyme that inserts sulfur into dethiobiotin to produce biotin. "	( Choi-Rhee, E; Cronan, JE, 2005)
"Biotin is a water-soluble vitamin that participates as a cofactor in gluconeogenesis, fatty acid synthesis and branched chain amino acid catabolism. "	( Gravel, RA; Narang, MA, 2005)
"Biotin is an important nutritional supplement but is difficult to manufacture effectively. "	( Chen, YL; Farh, L; Hong, YR; Liao, CH; Shiuan, D; Yang, WJ, 2006)
"Biotin is a water-soluble vitamin that functions as a prosthetic group in carboxylation reactions. "	( Pirner, HM; Stolz, J, 2006)
"Biotin is a water-soluble vitamin that acts as a prosthetic group of carboxylases. "	( Báez-Saldaña, A; Fernandez-Mejia, C; Hernández-Quiróz, PM; Islas-Andrade, S; Palomino-Garibay, MA; Revilla-Monsalve, C; Zendejas-Ruiz, I, 2006)
"Biotin is a promising candidate for functionalization of semiconducting surfaces, given its strong, unmatched affinity to specific proteins such as streptavidin and avidin. "	( Car, R; Cicero, G; Galli, G; Kanai, Y; Selloni, A, 2005)
"Biotin is a cofactor of the gluconeogenic enzymes pyruvate carboxylase (PC) and propionyl-coenzyme A carboxylase (PCC). "	( Ferreira, G; Weiss, WP, 2007)
"Biotinylation is a recent addition to the list of reported posttranslational modifications made to histones. "	( Bailey, LM; Ivanov, RA; Polyak, SW; Wallace, JC, 2008)
"Biotin is a member of the vitamin B-complex family. "	( Furukawa, Y; Horiuchi, K; Kamiyama, S; Komai, M; Ohinata, K; Shirakawa, H; Watanabe-Kamiyama, M, 2008)
"Biotin (see Fig. 1) is a small, hydrophobic molecule that functions as a coenzyme of carboxylases (3)."	( Haugland, RP; You, WW, 2008)
"Biotin is a growth factor used by many bacteria. "	( Doria, R; Erba, P; Giorgetti, J; Lazzeri, E; Mariani, G; Perri, M; Tascini, C, 2008)
"Biotin is a water-soluble vitamin which functions as a coenzyme of carboxylases in glucose and amino acid metabolism and fatty acid synthesis. "	( Taniguchi, A; Watanabe, T, 2008)
"Biotin functions as a coenzyme for four carboxylases involved in energy metabolism in mammals. "	( Furukawa, Y; Komai, M; Shirakawa, H; Sugimoto, R; Sugita, Y, 2008)
"Biotin is a coenzyme that fixes CO2 for transfer in a family of carboxylase, decarboxylase, and transcarboxylase enzymes. "	( Blessing, RH; DeTitta, GT; Parthasarathy, R; Stallings, W, 1980)
"Biotin is an important cofactor in the catalytic functions of several decarboxylases crucial in energy production and lipogenesis."	( Ma, PM, 1994)
"Biotin 1, is a potential positron tomography tracer for infection imaging."	( Babich, JW; Elmaleh, DR; Fischman, AJ; Jaywook, S; Shoup, TM; Strauss, HW, 1994)
"Biotinidase acts as a hydrolase by cleaving biocytin and biotinyl-peptides, thereby liberating biotin for reutilization."	( Hymes, J; Wolf, B, 1996)
"Biotin is an important vitamin for cellular function and growth and, therefore, essential for fetal development. "	( Antsaklis, A; Evangelatos, G; Ithakissios, DS; Livaniou, E; Malamitsi-Puchner, A; Mantagos, S, 1998)
"Biotin-labelled dUTP is a widely used thymidine analogon for labelling isolated DNA."	( Bruckmann, E; Obe, G; Wojcik, A, 1999)
"Biotin is a coenzyme essential to all life forms. "	( Chapman-Smith, A; Cronan, JE, 1999)
"Biotin was found to be a noncompetitive substrate inhibitor of biotin carboxylase."	( Amspacher, D; Blanchard, CZ; Strongin, R; Waldrop, GL, 1999)
"Biotinylation is a relatively rare modification, with between one and five biotinylated protein species found in different organisms."	( Chapman-Smith, A; Cronan, JE, 1999)
"Biotin is a vitamin of the B-complex, which plays an important biochemical role in every living cell. "	( Costopoulou, D; Evangelatos, GP; Ithakissios, DS; Leondiadis, L; Livaniou, E; Nyalala, JO; Vassiliadou, I, 2000)
"Biotin functions as a covalently bound cofactor of biotindependent carboxylases. "	( Campeau, E; Gravel, RA, 2001)
"Biotin is a water-soluble vitamin used as a hair-conditioning agent and a skin-conditioning agent in many cosmetic products at concentrations ranging from 0.0001% to 0.6%. "	( Fiume, MZ, 2001)
"Biotin is a water-soluble vitamin required by all organisms by virtue of its essential role in carboxylation reactions. "	( McMahon, RJ, 2002)
"Biotin is a water-soluble vitamin that acts as an essential cofactor for four carboxylases, each of which catalyzes an essential step in intermediary metabolism."	( Mock, DM, 1991)
"Biotinylation is an attractive alternative method for labelling C8 and may be used for detecting and quantifying C8 and C5b-9 complexes in their soluble and membrane-bound forms."	( Bhakdi, S; Hugo, F; Roth, M, 1989)
"Biotin is a cofactor for carboxylases used in fatty acid synthesis, gluconeogenesis, and energy production by the citric acid cycle. "	( Kuhn, C, 1988)

Excerpt	Reference
"Biotinidase has a key role in the reutilization of the biotin, catalyzing the hydrolysis of biocytin (ε-N-biotinyl-l-lysine) and biocytin-containing peptides derived from carboxylase turnover, thus contributing substantially to the bioavailability of this vitamin."	( Heredia-Antúnez, A; Hernández-González, R; Hernández-Vázquez, A; Ibarra-González, I; Ortega-Cuellar, D; Pindolia, K; Velázquez-Arellano, A; Wolf, B, 2013)
"Biotin has a certain improvement on postprandial glucose in diabetic rats. "	( Liu, Y; Wang, Z; Xiang, X; Zhang, W; Zhang, X, 2015)
"The biotin unit has an S(20,w) = 1.3S and a molecular weight of approximately 12,000."	( Gerwin, BI; Jacobson, BE; Wood, HG, 1969)
"Biotin ligases have been developed as proximity biotinylation enzymes for analyses of the interactome. "	( Furuta, Y; Kakuta, S; Sanada, T; Tanida, I; Uchiyama, Y; Yamaguchi, J, 2022)
"Biotin-TTVBA has near-infrared emission characteristics in DMSO containing 99% toluene, a large Stoke's shift (210 nm), high photostability, wash-free cell staining ability and type I/II photosensitivity."	( Chen, Z; Dai, T; Pan, X; Shi, H; Wang, H; Wang, L; Wang, Y, 2022)
"Biotin has been reported to be a leading cause of interference on several immunoassay platforms using the streptavidin-biotin immobilization system. "	( Bayart, JL; Closset, M; Favresse, J; Fillée, C; Gruson, D; Kabamba-Mukadi, B; Rodriguez-Villalobos, H; Roy, T; Stoefs, A, 2020)
"Biotin interferences have been reported for high-sensitive troponin T (hsTnT) and thyroid-stimulating hormone (TSH) assays."	( Favresse, J; Fillée, C; Gruson, D; Mzougui, S; Soleimani, R, 2020)
"Oral biotin has been used to treat several nail conditions with promising results. "	( Lipner, SR; Scher, RK, 2018)
"Biotinylated RBCs have been used to track survival of transfused RBCs, and have applications in optimizing RBC storage and in understanding donor genetic, environmental and disease factors affecting RBC products."	( Dennis, CJ; Donnenberg, AD; Gladwin, MT; Kanias, T; Kiss, JE; Meyer, EM; Moore, LR; Normolle, DP; Sinchar, D; Triulzi, DJ, 2019)
"Biotinidase has a key role in the reutilization of the biotin, catalyzing the hydrolysis of biocytin (ε-N-biotinyl-l-lysine) and biocytin-containing peptides derived from carboxylase turnover, thus contributing substantially to the bioavailability of this vitamin."	( Heredia-Antúnez, A; Hernández-González, R; Hernández-Vázquez, A; Ibarra-González, I; Ortega-Cuellar, D; Pindolia, K; Velázquez-Arellano, A; Wolf, B, 2013)
"Biotin has a certain improvement on postprandial glucose in diabetic rats. "	( Liu, Y; Wang, Z; Xiang, X; Zhang, W; Zhang, X, 2015)
"Biotin deficiency has been reported in Japanese infants fed special formulas for medical reasons, including those with milk allergy and congenital metabolic diseases, because these formulas contain little biotin. "	( Kodama, H; Motoyama, K; Ogawa, E; Sato, Y; Suzuki, M; Wakabayashi, K, 2016)
"The biotin switch assay has been widely applied to the quantitative analysis of S-nitrosylation in different disease models and is now also emerging as a valuable research tool for other oxidative cysteine modifications, highlighting its relevance as a versatile, robust strategy for carrying out in-depth studies in redox proteomics."	( Kast, J; Li, R, 2017)
"The biotin switch assay has recently been proposed as the eligible method to identify different S-nitrosated proteins in biological matrices. "	( Colombo, R; Dalle-Donne, I; Giustarini, D; Milzani, A; Rossi, R, 2008)
"Biotin-labeled RNA has found broad applications in chemistry, biology and biomedicine. "	( Guo, Y; He, J; Huang, F; Zhang, Y, 2008)
"Biotin biosynthesis has not been studied in detail in mycobacteria."	( Gao, Q; Li, M; Liu, J; Niu, C; Sun, G; Teo, W; Wang, D; Wang, J; Yu, J, 2011)
"Biotin has been credited with having beneficial effects on immune function despite observations that biotin supplementation causes decreased secretion of interleukin-2. "	( Camporeale, G; Griffin, JB; Rodriguez-Melendez, R; Zempleni, J, 2003)
"A biotinylation signal has been introduced following the C terminus of subunit h."	( Dickson, VK; Rubinstein, JL; Runswick, MJ; Walker, JE, 2005)
"Biotin synthase has therefore been designated as a substrate or reactant rather than an enzyme."	( Choi-Rhee, E; Cronan, JE, 2005)
"Biotin deficiency has been linked to impaired glucose tolerance and decreased utilization of glucose."	( Fernandez-Mejia, C, 2005)
"A biotin core has been assembled in a short and efficient sequence utilizing a tandem intramolecular Michael reaction/fragmentation/Michael reaction from vinyl sulfoxide and sulfone alcohols (12 and 13)."	( Oh, K, 2007)
"Biotin deficiency has been associated with hyperglycaemia and insulin resistance in animals and humans."	( Furukawa, Y; Horiuchi, K; Kamiyama, S; Komai, M; Ohinata, K; Shirakawa, H; Watanabe-Kamiyama, M, 2008)
"Biotin uptake has been investigated using an Escherichia coli biotin requiring auxotroph grown under biotin-deficient conditions. "	( Gaudry, M; Piffeteau, A; Zamboni, M, 1982)
"Biotinylation of mAb has become a standard procedure for a variety of applications that exploit the specific high affinity interaction between biotin and avidin. "	( Jokiranta, TS; Meri, S, 1993)
"The biotin label has been introduced into the synthetic oligonucleotide probe by the high-yield acylation of the oligonucleotide aminoalkylamide with the biotin imidazolide or N-hydroxysuccinimide ester."	( Gottykh, MB; Gurinovich, TI; Ivanovskaia, MG; Lebedeva, IV; Meldraĭs, IaA; Shabarova, ZA, 1993)
"Biotinidase has recently been shown to be biotinylated in the presence of biocytin, but not biotin, at neutral and alkaline pH."	( Hymes, J; Wolf, B, 1996)
"Biotin has been reported to affect glucose homeostasis; however, its role on pancreatic islets of Langerhans has not been assessed. "	( Cabrera-Valladares, G; Fernandez-Mejia, C; German, MS; Matschinsky, FM; Romero-Navarro, G; Velazquez, A; Wang, J, 1999)
"The biotin regulator DNA has been characterized by electron microscopic heteroduplex analysis, RNA polymerase binding capacity, and the ability to initiate leftward and rightward transcriptions."	( DasGupta, CK; Guha, A, 1978)
"Biotin has been converted to 2-(biotinylamido)ethanol and condensed to phosphorylated oligonucleotides in a solid phase synthesis. "	( Chow, F; Hu, SL; Kempe, T; Sundquist, WI, 1985)
"Biotinylated GC has been used to localize specific GC-binding sites in frozen sections of rat testis."	( Lingwood, C; Taylor, T, 1986)
"The biotin-avidin system has been investigated for the purification of the cytosoluble "nontransformed" estrogen receptor stabilized by sodium molybdate."	( Baulieu, EE; Redeuilh, G; Secco, C, 1985)
"The biotin unit has an S(20,w) = 1.3S and a molecular weight of approximately 12,000."	( Gerwin, BI; Jacobson, BE; Wood, HG, 1969)

Excerpt	Reference
"Biotin reduced the increase in OPC cell death in the NG condition."	( Antel, J; Cui, QL; Fernandes, MGF; Kennedy, TE; Lin, YH; Rao, VTS; Xu, YKT, 2020)
"Biotin plays an essential role in growth of mycobacteria. "	( Cronan, JE; Hu, Z, 2020)
"Biotin may activate the acetyl-CoA-, 3-methylcrotonyl-CoA-, propionyl-CoA-, and pyruvate carboxylases to increase myelin repair and/or synthesis, and may enhance the production of adenosine triphosphate (ATP), which may be essential to prevent neurodegeneration. "	( Espiritu, AI; Remalante-Rayco, PPM, 2021)
"Biotin can cause interference with laboratory assessment of thyroid function, and therefore give a false suggestion of thyrotoxicosis."	( de Heide, LJM; Lutgers, HL; Slim, CL; van den Berg, R; Wolthuis, A, 2018)
"Biotin was chosen because it is a well-studied bioactive molecule with high affinity for avidin."	( Ahrén, M; Käll, PO; Khranovskyy, V; SelegArd, L; Söderlind, F; Uvdal, K; Vahlberg, C; Yakimova, R, 2010)
"Biotin plays an essential role as cofactor for biotin-dependent carboxylases involved in essential metabolic pathways. "	( Dragosits, M; Gasser, B; Mattanovich, D, 2010)
"Biotin can enhance the sperm motility and prolong the survival of frozen-thawed semen samples which may have potential benefit in assisted reproductive technology field."	( Adiga, SK; Kalthur, G; Keyvanifard, F; Kumar, P; Salian, SR; Sreedharan, S; Thomas, JS, 2012)
"Biotin plays an important role as a covalently bound coenzyme for carboxylases. "	( Hata, I; Hayashi, H; Kawakita, A; Ohshima, Y; Ohta, G; Okazaki, S; Okuno, T; Shigematsu, Y; Tokuriki, S; Yoshioka, K, 2013)
"The biotin labels enable the binding of avidin alkaline phophatase conjugates."	( Albers, J; Blohm, L; Elsholz, B; Feucht, H; Grunwald, T; Hintsche, R; Jürgen, B; Schweder, T; Wörl, R, 2006)
"Biotin plays important roles in carbohydrate and lipid metabolism as well as in the decarboxylation of amino acids. "	( Fukui, T; Shibata, H; Watanabe, T; Yasumura, S, 1998)
"Biotin (vitamin H) plays an important role as a cofactor in glucose or lipid metabolism. "	( Hashimoto, T; Nawata, H; Sako, Y; Tajiri, Y; Umeda, F; Yoshikawa, H, 2002)
"Biotin plays a central role in the action of these enzymes."	( Attwood, PV; Wallace, JC, 2002)

Excerpt	Reference
"Biotin treatment elevated intracellular cyclic adenosine monophosphate levels via adenylate cyclase activation, followed by the activation of protein kinase A and testosterone production."	( Agista, AZ; Goto, T; Ho, HJ; Horiuchi, K; Howlader, MZH; Katsurai, T; Komai, M; Maeda, M; Ohsaki, Y; Shiozawa, K; Shirakawa, H; Sugita, Y, 2022)
"Biotin treatment led to clinical stability or improvement in 89.2% of individuals."	( Elmers, J; Jaccard, E; Superti-Furga, A; Tankeu, AT; Tran, C; Van Winckel, G; Wolf, B, 2023)
"Biotin treatment also increased the percentage of horn tubules with smaller diameter marrow (17-51 µm)."	( Assis, BM; Borges, NC; Noronha Filho, ADF; Pancotti, A; Queiroz, PJB; Rabelo, RE; Silva, DC; Silva, LAFD; Vulcani, VAS, 2021)
"BSA-biotin was treated with DTPA-anhydride and biotin-BSA-DTPA was reacted with FAM."	( Coleman, R; Easwaramoorthy, B; Kaur, J; Mukherjee, J; Pandey, SK; Shah, A, 2014)
"Biotin treatment increased glucokinase mRNA abundance approximately one fold after 2 h; the effect was sustained up to 24 h."	( Fernandez-Mejia, C; Marin-Hernandez, A; Rojas-Ochoa, A; Tovar, AR; Vilches-Flores, A, 2010)
"In biotin-treated rats as well as in vitamin B(12)-treated rats the total content of folic acid-active substances measured microbiologically by Pediococcus cerevisiae, Streptococcus faecalis and Lactobacillus casei is significantly higher than that in biotin-deficient rats."	( LANDI, L; MARCHETTI, M; PASQUALI, P, 1965)
"Biotin treatment had no significant effects on cholesterol, glucose and insulin in either the diabetic or nondiabetic subjects."	( Báez-Saldaña, A; Fernandez-Mejia, C; Hernández-Quiróz, PM; Islas-Andrade, S; Palomino-Garibay, MA; Revilla-Monsalve, C; Zendejas-Ruiz, I, 2006)
"With biotin treatment there was a marked improvement in the presenting symptom of loss of visual acuity and a more modest recovery in spastic quadraparesis."	( Buchsbaum, MJ; Lott, IT; Lottenberg, S; Nyhan, WL, 1993)
"In biotin-treated groups no increased incidence of fetuses with external malformations was clearly demonstrable."	( Watanabe, T, 1996)
"Biotin treatment will be useful for improving the abnormal metabolism of ketone bodies in DMD patients."	( Hasui, M; Honke, K; Takano, N, 1997)
"Biotin-treated pregnant rats failed to maintain normal levels of uterine weight, glycogen and protein as well as hepatic protein concomitantly with the loss of pregnancy."	( Duttagupta, PN; Paul, PK, 1975)
"Biotin treatment of biotin-deficient rats reversed this condition whereas testosterone treatment was without any effect."	( Dakshinamurti, K; Paulose, CS; Thliveris, JA; Viswanathan, M, 1989)
"Biotin treatment resulted in stimulation by more than twofold of amino acid incorporation into protein, both in vivo and in vitro in rat liver, pancreas, intestinal mucosa and skin."	( Boeckx, RL; Dakshinamurti, K, 1974)
"Treatment with biotin could also be useful in comedonal acne characterized by a high rate of seborrhea, and may be helpful for acne treated with topical retinoids, contributing to the control of flaking and irritation."	( Berardesca, E; Fabbrocini, G; Micali, G; Piraccini, BM; Tosti, A, 2019)
"Treatment with biotin 100mg/day gradually improved the biochemical abnormalities in blood and in cerebrospinal fluid (CSF), corrected the carboxylase enzyme activities, and provided clinical stability and a normal neurodevelopmental outcome."	( Barshop, BA; Cervantes-Roldán, R; Chiang, PW; Freehauf, C; Josefsberg, S; León-Del-Río, A; Meneses-Morales, I; Mock, DM; Spector, E; Thomas, JA; Thuy, le P; Van Hove, JL; Woontner, M, 2008)
"Mice treated with biotin targeted MTX-HSA NPs showed slight body weight loss (8%) 21 days after treatment, whereas non-targeted MTX-HSA NPs treatment at the same dose caused a body weight loss of 27.05% ± 3.1%."	( Atyabi, F; Borougeni, AT; Dinarvand, R; Khorramizadeh, MR; Mansoori, P; Nouri, FS; Taheri, A, 2011)
"Treatment with biotin resulted in remarkable recovery."	( Adhisivam, B; Mahadevan, S; Mahto, D, 2007)
"Treatment with biotin and the removal of raw eggs, which contain the biotin-binding protein, avidin, from the diet led to the reversal of all of the clinical and metabolic manifestations observed."	( Baker, H; Nyhan, WL; Peterson, RM; Surh, L; Sweetman, L, 1981)
"Oral treatment with biotin (15mg and 10mg per day respectively) made all symptoms disappear within a few weeks."	( Andersen, JB; Blichfeldt, S; Christensen, MF; Haagerup, A, 1997)
"Treatment with biotin is both cheap and simple, resulting in rewarding clinical recovery and normalization of the biochemical, neuroradiological and neurophysiological parameters."	( al-Essa, MA; Archibald, A; Joshi, S; Ozand, PT, 1999)
"On treatment with biotin (2 x 5 mg/day) the convulsions stopped at once, her clinical condition improved gradually, and the abnormal metabolites disappeared from the urine."	( Frasch, W; Junker, A; Lehnert, W; Niederhoff, H; Saule, H, 1979)
"Treatment with biotin results in pronounced, rapid, clinical and biochemical improvement, but some patients have residual neurological damage comprising neurosensory hearing loss, visual pathway defects, ataxia, and mental retardation."	( Bartlett, K; Dale, G; Shein, A; Wastell, HJ, 1988)

Role	Description
prosthetic group	A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
coenzyme	A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
nutraceutical	A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite	Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
Escherichia coli metabolite	Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite	Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor	An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
fundamental metabolite	Any metabolite produced by all living cells.
[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
biotins	Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton.
vitamin B7	Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Metabolism	1496	1108
Metabolism of vitamins and cofactors	146	155
Metabolism of water-soluble vitamins and cofactors	102	114
Biotin transport and metabolism	11	8
Biotin Metabolism	4	7
Biotinidase Deficiency	4	7
Multiple Carboxylase Deficiency, Neonatal or Early Onset Form	4	7
Biotin-Carboxyl Carrier Protein Assembly	7	11
Disease	1278	231
Diseases of metabolism	69	121
Defects in vitamin and cofactor metabolism	17	17
Defects in biotin (Btn) metabolism	6	4
Defective HLCS causes multiple carboxylase deficiency	6	3
Biotin metabolism, including IMDs	9	12
Leucine, isoleucine and valine metabolism	24	70
Metabolic Epileptic Disorders	25	89
Biotin metabolism	0	10
Biotin biosynthesis II	1	13

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	0.0035	0.6310	35.7641	100.0000	AID504339
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	10.5909	0.0060	38.0041	19,952.5996	AID1159521
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	0.3162	0.7079	12.1943	39.8107	AID720542
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	26.8325	0.0002	29.3054	16,493.5996	AID743069
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	89.1251	0.3548	28.0659	89.1251	AID504847
[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)
nonstructural protein 1	Influenza A virus (A/California/07/2009(H1N1))	IC50 (µMol)	0.2000	0.2000	24.4540	100.0000	AID504329
[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 A, Avidin	Gallus gallus (chicken)	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain A, Protein (streptavidin)	Streptomyces avidinii	Kd	0.0002	0.0002	0.0002	0.0002	AID977611
Chain B, Protein (streptavidin)	Streptomyces avidinii	Kd	0.0002	0.0002	0.0002	0.0002	AID977611
Chain A, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain D, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain A, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain D, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain A, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain D, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain A, Streptavidin Complex With Biotin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain D, Circularly Permuted Core-streptavidin E51/a46	Streptomyces avidinii	Kd	0.0439	0.0439	0.0439	0.0439	AID977611
Chain A, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain D, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain A, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain D, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain A, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain D, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain A, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain D, Core-streptavidin	Streptomyces avidinii	Kd	0.0300	0.0000	0.0300	0.1200	AID977611
Chain A, Avidin	Gallus gallus (chicken)	Kd	0.6000	0.6000	0.6000	0.6000	AID977611
Chain A, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain B, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain A, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
Chain B, Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0000	0.0000	AID977611
insulin-degrading enzyme isoform 1	Homo sapiens (human)	EC50 (µMol)	2.4495	2.0260	5.1785	8.9430	AID588439; AID588681
Streptavidin	Streptomyces avidinii	Kd	0.0000	0.0000	0.0055	0.0110	AID1179561
[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)
Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)	Kis	2,330.0000	3.7300	5.6650	7.6000	AID775020
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
protein dephosphorylation	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
phosphate-containing compound metabolic process	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
glial cell migration	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
dephosphorylation	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
angiogenesis	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
transmembrane receptor protein tyrosine phosphatase activity	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
protein binding	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
cadherin binding	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
specific granule membrane	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
tertiary granule membrane	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
receptor complex	Receptor-type tyrosine-protein phosphatase beta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1811	Experimentally measured binding affinity data derived from PDB	2003	Acta crystallographica. Section D, Biological crystallography, Sep, Volume: 59, Issue:Pt 9	Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2003	Acta crystallographica. Section D, Biological crystallography, Sep, Volume: 59, Issue:Pt 9	Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504787	Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec	2006	Assay and drug development technologies, Jun, Volume: 4, Issue:3	Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1811	Experimentally measured binding affinity data derived from PDB	1998	Journal of molecular biology, May-29, Volume: 279, Issue:1	Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	1998	Journal of molecular biology, May-29, Volume: 279, Issue:1	Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
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.
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.
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.
AID1904220	Activation of Nrf2-ARE pathway in human HepG2-ARE-C8 cells assessed as fold upregulation of ARE-inducing luciferase activity at 40 uM measured after 24 hrs by luciferase reporter gene assay	2022	Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6	Target Fishing Reveals a Novel Mechanism of 1,2,4-Oxadiazole Derivatives Targeting Rpn6, a Subunit of 26S Proteasome.
AID1904218	Activation of Nrf2-ARE pathway in human HepG2-ARE-C8 cells assessed as fold upregulation of ARE-inducing luciferase activity at 10 uM measured after 24 hrs by luciferase reporter gene assay	2022	Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6	Target Fishing Reveals a Novel Mechanism of 1,2,4-Oxadiazole Derivatives Targeting Rpn6, a Subunit of 26S Proteasome.
AID588210	Human drug-induced liver injury (DILI) modelling dataset from Ekins et al	2010	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12	A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID588209	Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset	2010	Chemical research in toxicology, Jul-19, Volume: 23, Issue:7	Developing structure-activity relationships for the prediction of hepatotoxicity.
AID625295	Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in Pfizer data	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1360250	Binding affinity to porcine tubulin after overnight incubation by streptavidin pull down assay	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis, cytotoxic evaluation and target identification of thieno[2,3-d]pyrimidine derivatives with a dithiocarbamate side chain at C2 position.
AID1904222	Activation of Nrf2-ARE pathway in human HepG2-ARE-C8 cells assessed as fold upregulation of ARE-inducing luciferase activity at 160 uM measured after 24 hrs by luciferase reporter gene assay	2022	Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6	Target Fishing Reveals a Novel Mechanism of 1,2,4-Oxadiazole Derivatives Targeting Rpn6, a Subunit of 26S Proteasome.
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.
AID603957	Octanol-water partition coefficient, log P of the compound	2008	European journal of medicinal chemistry, Apr, Volume: 43, Issue:4	QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
AID1659530	Cytotoxicity against CHOK1 cells assessed as inhibition of cell growth at 0.4 uM to 50 uM after 24 hrs by MTT assay	2020	Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9	Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID238114	Dissociation constant of the compound	2004	Journal of medicinal chemistry, Aug-12, Volume: 47, Issue:17	Validation of automated docking programs for docking and database screening against RNA drug targets.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID445279	Displacement of HABA from avidin at 31 uM	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Biotin derivatives carrying two chelating DOTA units. Synthesis, in vitro evaluation of biotinidases resistance, avidin binding, and radiolabeling tests.
AID1659536	Antiproliferative activity against human 5637 cells assessed as inhibition of cell growth at 0.4 uM to 50 uM after 48 hrs by MTT assay	2020	Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9	Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1659529	Cytotoxicity against CHOK1 cells assessed as inhibition of cell growth at 0.4 uM to 50 uM after 48 hrs by MTT assay	2020	Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9	Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1272157	Binding affinity to eIF4A1 in mouse embryonic fibroblasts at 20 uM by streptavidin pulldown assay	2016	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2	Total synthesis of a biotinylated rocaglate: Selective targeting of the translation factors eIF4AI/II.
AID45258	Effect on the apical to basolateral transport of [3H]biotin in caco-2-cell monolayer	1994	Journal of medicinal chemistry, Jan-21, Volume: 37, Issue:2	Evaluation of a vitamin-cloaking strategy for oligopeptide therapeutics: biotinylated HIV-1 protease inhibitors.
AID1360249	Binding affinity to tubulin alpha in human A549 cells immunoblot based based pull down assay	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis, cytotoxic evaluation and target identification of thieno[2,3-d]pyrimidine derivatives with a dithiocarbamate side chain at C2 position.
AID1286269	Activation of Wnt/beta-catenin signaling pathway in HEK293T cells in presence of Wnt3a-conditioned medium incubated for 6 hrs by luciferase reporter gene assay	2016	Journal of natural products, Jan-22, Volume: 79, Issue:1	Design, Synthesis, and Structural Optimization of Lycorine-Derived Phenanthridine Derivatives as Wnt/β-Catenin Signaling Pathway Agonists.
AID717235	Binding affinity to Streptomyces avidinii assessed as changes in protein fluorescence intensity by fluorescence spectral analysis method	2012	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 22, Issue:23	Specific interactions between adenosine and streptavidin/avidin.
AID775020	Competitive inhibition of human GST-tagged LMW-PTP-B expressed in Escherichia coli JM 109 cells using p-nitrophenyl phosphate as substrate after 15 mins by microplate reader analysis	2013	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 23, Issue:21	Identification of new inhibitors for low molecular weight protein tyrosine phosphatase isoform B.
AID45121	% control value in caco-2-cell monolayer	1994	Journal of medicinal chemistry, Jan-21, Volume: 37, Issue:2	Evaluation of a vitamin-cloaking strategy for oligopeptide therapeutics: biotinylated HIV-1 protease inhibitors.
AID1904221	Activation of Nrf2-ARE pathway in human HepG2-ARE-C8 cells assessed as fold upregulation of ARE-inducing luciferase activity at 80 uM measured after 24 hrs by luciferase reporter gene assay	2022	Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6	Target Fishing Reveals a Novel Mechanism of 1,2,4-Oxadiazole Derivatives Targeting Rpn6, a Subunit of 26S Proteasome.
AID1272158	Binding affinity to eIF4A2 in mouse embryonic fibroblasts at 20 uM by streptavidin pulldown assay	2016	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2	Total synthesis of a biotinylated rocaglate: Selective targeting of the translation factors eIF4AI/II.
AID1179561	Binding affinity to Streptomyces avidinii streptavidin by NMR analysis	2014	Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19	Elements and modulation of functional dynamics.
AID545542	Binding affinity to avidin by UV-vis spectroscopy	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Labeling study of avidin by modular method for affinity labeling (MoAL).
AID227718	Binding energy by using the equation deltaG obsd = -RT ln KD	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Functional group contributions to drug-receptor interactions.
AID1659537	Antiproliferative activity against human 5637 cells assessed as inhibition of cell growth at 0.4 uM to 50 uM after 24 hrs by MTT assay	2020	Bioorganic & medicinal chemistry, 05-01, Volume: 28, Issue:9	Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.
AID625294	Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in O'Brien data	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID681821	TP_TRANSPORTER: uptake in Xenopus laevis oocytes	1999	FEBS letters, Feb-26, Volume: 445, Issue:2-3	Immunohistochemical distribution and functional characterization of an organic anion transporting polypeptide 2 (oatp2).
AID616939	Antiproliferative activity against human SKBR3 cells at 100 uM after 48 to 72 hrs by MTT assay	2011	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 21, Issue:18	Design and synthesis of a biotinylated probe of COX-2 inhibitor nimesulide analog JCC76.
AID1904219	Activation of Nrf2-ARE pathway in human HepG2-ARE-C8 cells assessed as fold upregulation of ARE-inducing luciferase activity at 20 uM measured after 24 hrs by luciferase reporter gene assay	2022	Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6	Target Fishing Reveals a Novel Mechanism of 1,2,4-Oxadiazole Derivatives Targeting Rpn6, a Subunit of 26S Proteasome.
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.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	1993	Proceedings of the National Academy of Sciences of the United States of America, Jun-01, Volume: 90, Issue:11	Three-dimensional structures of avidin and the avidin-biotin complex.
AID1811	Experimentally measured binding affinity data derived from PDB	1993	Proceedings of the National Academy of Sciences of the United States of America, Jun-01, Volume: 90, Issue:11	Three-dimensional structures of avidin and the avidin-biotin complex.
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.
AID1811	Experimentally measured binding affinity data derived from PDB	1993	Journal of molecular biology, Jun-05, Volume: 231, Issue:3	Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	1993	Journal of molecular biology, Jun-05, Volume: 231, Issue:3	Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution.
AID1811	Experimentally measured binding affinity data derived from PDB	2006	Acta crystallographica. Section D, Biological crystallography, Jun, Volume: 62, Issue:Pt 6	The high-resolution structure of (+)-epi-biotin bound to streptavidin.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2006	Acta crystallographica. Section D, Biological crystallography, Jun, Volume: 62, Issue:Pt 6	The high-resolution structure of (+)-epi-biotin bound to streptavidin.
AID1811	Experimentally measured binding affinity data derived from PDB	1989	Science (New York, N.Y.), Jan-06, Volume: 243, Issue:4887	Structural origins of high-affinity biotin binding to streptavidin.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	1989	Science (New York, N.Y.), Jan-06, Volume: 243, Issue:4887	Structural origins of high-affinity biotin binding to streptavidin.
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.
AID1811	Experimentally measured binding affinity data derived from PDB	2000	Protein science : a publication of the Protein Society, May, Volume: 9, Issue:5	Ser45 plays an important role in managing both the equilibrium and transition state energetics of the streptavidin-biotin system.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2000	Protein science : a publication of the Protein Society, May, Volume: 9, Issue:5	Ser45 plays an important role in managing both the equilibrium and transition state energetics of the streptavidin-biotin system.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2013	PloS one, , Volume: 8, Issue:10	Zebavidin--an avidin-like protein from zebrafish.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2013	Protein science : a publication of the Protein Society, Jul, Volume: 22, Issue:7	The highly dynamic oligomeric structure of bradavidin II is unique among avidin proteins.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	1998	Protein science : a publication of the Protein Society, Apr, Volume: 7, Issue:4	Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system.
AID1811	Experimentally measured binding affinity data derived from PDB	1998	Protein science : a publication of the Protein Society, Apr, Volume: 7, Issue:4	Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2012	The Journal of biological chemistry, May-25, Volume: 287, Issue:22	Structural adaptation of a thermostable biotin-binding protein in a psychrophilic environment.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2013	Proteins, Sep, Volume: 81, Issue:9	Structure-based engineering of streptavidin monomer with a reduced biotin dissociation rate.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2014	PloS one, , Volume: 9, Issue:3	A novel chimeric avidin with increased thermal stability using DNA shuffling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	3019 (21.27)	18.7374
1990's	3300 (23.25)	18.2507
2000's	3621 (25.51)	29.6817
2010's	3342 (23.54)	24.3611
2020's	914 (6.44)	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	95 (0.64%)	5.53%
Reviews	585 (3.94%)	6.00%
Case Studies	306 (2.06%)	4.05%
Observational	0 (0.00%)	0.25%
Other	13,861 (93.36%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
Does Variation in Mean Red Cell Age Impact HbA1C Interpretation?[NCT01204216]		3 participants (Actual)	Interventional	2010-09-01	Terminated(stopped due to technical barriers to completing the original design within the funding period)
RBC Survival Validation in Adult Humans Under Condition of Normal RBC Survival[NCT02757898]	Phase 1	5 participants (Actual)	Interventional	2017-01-11	Completed
Investigator-Initiated Study to Evaluate the Effect of Biotin Ingestion On Routine Laboratory Tests[NCT03995277]	Phase 4	101 participants (Actual)	Interventional	2019-01-11	Completed
Kinetics of Donor Red Blood Cell Survival in Sickle Cell Disease[NCT04426591]	Phase 1	40 participants (Anticipated)	Interventional	2021-10-29	Recruiting
The Influence of Probiotics on Body and Mind in Individuals With Psychiatric Disorders - a Clinical Study[NCT03300440]		80 participants (Anticipated)	Interventional	2017-06-21	Active, not recruiting
Red Cell Half Life Determination in Patients With and Without Sickle Cell Disease[NCT04476277]	Early Phase 1	20 participants (Actual)	Interventional	2021-04-19	Completed
SERENDEM Study: MD1003 in Patients Suffering From Demyelinating Neuropathies, an Open Label Pilot Study[NCT02967679]	Phase 2	15 participants (Actual)	Interventional	2016-12-05	Completed
An International, Multicenter, Randomized, Double-blind, Double-dummy, Parallel Group, Study of 3-month or 6-month Treatment With SSR126517E (3.0 mg s.c. Once-weekly) Versus Oral INR-adjusted Warfarin in the Treatment of Patients With Symptomatic Pulmonar[NCT00345618]	Phase 3	3,202 participants (Actual)	Interventional	2006-06-30	Completed
A Multicenter, Randomized, Double-blind, Assessor-blind, Non-inferiority Study Comparing the Efficacy and Safety of Once-weekly Subcutaneous Biotinylated Idraparinux (SSR126517E) With Oral Adjusted-dose Warfarin in the Prevention of Stroke and Systemic Th[NCT00580216]	Phase 3	3,773 participants (Actual)	Interventional	2007-12-31	Terminated(stopped due to early discontinuation based on strategic sponsor decision not driven by any safety concern)
Transfusion of Biotin-Labeled Red Blood Cells for the Evaluation of Genetic Factors That Contribute to Donor Differences in Red Blood Cell Storage and Post-Transfusion Red Blood Cell Recovery[NCT03364686]	Phase 2	6 participants (Actual)	Interventional	2019-09-16	Terminated(stopped due to Due to enrollment challenges related to COVID and lack of coordinator support)
Biotin Urine Collection Study[NCT03746821]		12 participants (Actual)	Interventional	2018-11-07	Completed
Effect of MD1003 in Progressive Multiple Sclerosis: a Randomized Double Blind Placebo Controlled Study[NCT02936037]	Phase 3	642 participants (Actual)	Interventional	2016-12-31	Terminated(stopped due to Sponsor decision for business purposes)
Correcting GUT microbioTa by Combined Supplementation of fibERs and bIotiN to Improve Microbiome and Optimize Bariatric Surgery Outcomes[NCT05832190]		48 participants (Anticipated)	Interventional	2023-04-30	Not yet recruiting
Red Blood Cell Lifespan Measurement in Diabetic Children[NCT03073070]	Phase 1	6 participants (Actual)	Interventional	2017-11-15	Completed
Evaluation of the Incidence of Relapses in Patients With Biotin-treated Progressive Multiple Sclerosis[NCT03552211]		3,000 participants (Anticipated)	Observational	2018-05-30	Enrolling by invitation
BioRBC Survival in Adults With Prior Antibody Response to BioRBCs[NCT02077751]	Phase 1	3 participants (Actual)	Interventional	2013-05-31	Completed
Biotin Status in Pregnancy[NCT00894920]		124 participants (Actual)	Interventional	2009-08-31	Completed
Can Biotin Supplementation be Used to Mask hCG Abuse?[NCT05450900]	Early Phase 1	10 participants (Actual)	Interventional	2022-10-27	Completed
Assessing Mechanisms Accounting for Unexplained Anemia in the Elderly[NCT01572506]	Phase 1	58 participants (Actual)	Interventional	2012-03-29	Completed
Interference of Biotin Supplementation in Biotin-streptavidin Platforms for Hormone Testing[NCT03034707]		12 participants (Anticipated)	Interventional	2016-04-30	Completed
A Randomized, Triple-blind, Placebo-controlled Study Evaluating the Efficacy of a Novel Dietary Ingredient for Improving Hair Growth and Skin's Appearance Among Healthy Adults[NCT06010745]		101 participants (Anticipated)	Interventional	2023-08-11	Recruiting
Biotin Deficiency and Restless Legs Syndrome: Evidence for a Causal Relationship From Randomized, Double-Blind, Placebo-Controlled Trial[NCT02011191]		49 participants (Actual)	Interventional	2006-12-31	Completed
MD1003 in Adrenomyeloneuropathy : a Randomized Double Blind Placebo Controlled Study[NCT02961803]	Phase 2/Phase 3	67 participants (Actual)	Interventional	2014-10-31	Completed
Randomized, Double Blinded, Placebo Controlled, Study to Evaluate Improvements in Glycemic Control, Lipid Levels, Quality of Life and Healthcare Costs After Daily Administration of Chromium Picolinate and Biotin in Patients With T2DM[NCT00289354]		600 participants	Interventional	2003-03-31	Completed
Evaluation of Pretargeted Anti-CD20 Radioimmunotherapy Combined With BEAM Chemotherapy and Autologous Stem Cell Transplantation for High-Risk B-Cell Malignancies[NCT02483000]	Phase 1	3 participants (Actual)	Interventional	2017-02-01	Terminated(stopped due to Closed early due to lack of funding)
The Role of KIR-favorably Mismatched Haploidentical Transplantation and KIR-polymorphisms in Determining Outcomes of Children With ALL/AML/MDS Undergoing Allogeneic Hematopoietic Cell Transplantation[NCT02646839]	Phase 2	50 participants (Anticipated)	Interventional	2015-10-31	Enrolling by invitation
Avaliação da eficácia de um Novo Suplemento Alimentar Para Cabelos e Unhas- Estudo in Vitro, clínico, Subjetivo e Instrumental[NCT05945979]		40 participants (Actual)	Interventional	2022-03-07	Completed
"A Randomized, Double Blinded, Placebo Controlled, Parallel Arm, Study to Evaluate the Improvement in Glycemic Control After Daily Administration of Chromium Picolinate and Biotin in Patients With Type 2 Diabetes Mellitus"[NCT00308451]		40 participants	Interventional	2003-11-30	Completed
Red Blood Cell Survival Following Transfusion in Infants[NCT00731588]	Phase 2	140 participants (Actual)	Interventional	2008-06-30	Completed
The Possible Efficacy and Safety of L-carnitine and Biotin as Adjunctive Therapies in Children With Moderate Persistent Asthma[NCT05632549]	Phase 3	66 participants (Anticipated)	Interventional	2022-08-08	Active, not recruiting
Effect of MD1003 in Amyotrophic Lateral Sclerosis: a Randomized Double Blind Placebo Controlled Pilot Study[NCT03114215]	Phase 2	30 participants (Actual)	Interventional	2016-06-29	Completed
Safety and Tolerability of High Dose Biotin in Patients With Amyotrophic Lateral Sclerosis[NCT03427086]	Phase 2	12 participants (Actual)	Interventional	2018-01-29	Completed
Multicentric Trial on the Use of Combined Therapy of Thiamine and Biotine in Patients With Huntington´s Disease[NCT04478734]	Phase 2	24 participants (Anticipated)	Interventional	2023-04-12	Recruiting
A Randomized, Double-Blind, Placebo-Controlled, Safety, and Efficacy Study of Plant Based Biotin and Plant Based Biotin With Silica in Healthy Adult Human Subjects With Complaints of Hair Fall Thin, Dry, & Brittle Hair, and Dry Skin[NCT05972512]		105 participants (Anticipated)	Interventional	2023-10-24	Recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	Participants (Count of Participants)
Biotin-Labeled Red Blood Cell (RBC) Infusion	0

Intervention	participants (Number)
Biotin-Labeled Red Blood Cell (RBC) Infusion	5

Intervention	m (Mean)
MD1003	61.1

Intervention	score on a scale (Mean)
MD1003	4.5

Intervention	second (Mean)
MD1003	-0.6

Intervention	ms (Mean)
MD1003	0.20

Intervention	percentage of supernormality (Mean)
MD1003	9.84

Intervention	ms (Mean)
MD1003	4.8

Intervention	score on a scale (Mean)
MD1003	-2.2

Intervention	ms (Mean)
MD1003	8.5

Intervention	ms (Mean)
MD1003	-0.277

Intervention	ms (Mean)
MD1003	0.000

Intervention	m/s (Mean)
MD1003	1.67

Intervention	score on a scale (Mean)
MD1003	-0.5

Intervention	m/s (Mean)
MD1003	0.111

Intervention	percentage of refractoriness (Mean)
MD1003	-4.28

Intervention	mA (Mean)
MD1003	-5.905

Intervention	ms (Mean)
MD1003	0.068

Intervention	days (Mean)
	Fresh Stored Cells	Stored Cells
Biotin-Labeled Red Blood Cells Infusion	135	104

Intervention	percentage of biotin labeled RBC (Mean)
	Percentage of Fresh Biotin Labeled Red Blood Cells at 24 Hours	Percentage of Fresh Biotin Labeled Red Blood Cells at Day 30	Percentage of Fresh Biotin Labeled Red Blood Cells at Day 60	Percentage of Aged Biotin Labeled Red Blood Cells at 24 Hours	Percentage of Aged Biotin Labeled Red Blood Cells at Day 30	Percentage of Aged Biotin Labeled Red Blood Cells at Day 60
Biotin-Labeled Red Blood Cells Infusion	99.2	77.2	54.3	99.2	75.9	51.9

Intervention	percentage of osmotic hemolysis (Mean)
	5-7 days	35-42 days
Biotin-Labeled Red Blood Cells Infusion	7.4	7.9

Intervention	percentage of oxidative hemolysis (Mean)
	5-7 days	35-42 days
Biotin-Labeled Red Blood Cells Infusion	39.93	46.90

Intervention	percentage of storage hemolysis (Mean)
	5-7 days	35-42 days
Biotin-Labeled Red Blood Cells Infusion	0.27	0.21

Intervention	percent (Number)
Placebo	9.2
MD1003	12.0

Intervention	Participants (Count of Participants)
Treatment (PRIT)	2

Intervention	cGy/mCi (Median)
	Liver	Spleen	Lungs	Kidneys	Bone Marrow	Brain
Treatment (PRIT)	2.5	3.73	0.229	11.4	3.75	0.229

Intervention	Participants (Count of Participants)
	Serious Adverse Events	Other (Not Including Serious) Adverse Events
Treatment (PRIT)	2	2

Intervention	flow cytometry RBC discrete peaks (Number)
PPG1A - Adults	5
PPG1B - Infants	5

Intervention	Participants (Count of Participants)
PPG1A - Adults	3
PPG1B - Infants	0

Intervention	days (Mean)
PPG1B - Infants	70

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
3-phenylpropionic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
gamma-aminobutyric acid	[no description available]	high	126	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetic acid	[no description available]	medium	10	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
citric acid, anhydrous	[no description available]	high	13	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
2-aminoacetaldehyde	[no description available]	medium	1	0	amino aldehyde; omega-aminoaldehyde	Escherichia coli metabolite
phosphoglycolate	[no description available]	medium	2	0	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
hexachlorocyclohexane	[no description available]	medium	3	0	chlorocyclohexane
oxalic acid	[no description available]	high	3	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
phenol	[no description available]	high	5	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenethylamine	[no description available]	medium	1	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoric acid	[no description available]	medium	2	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
tryptamine	[no description available]	medium	2	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
phenytoin	[no description available]	medium	13	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
alprenolol	[no description available]	medium	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amitriptyline	[no description available]	medium	2	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
apraclonidine	[no description available]	medium	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
astemizole	[no description available]	medium	3	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
bromazepam	[no description available]	medium	1	0	organic molecular entity
carbamazepine	[no description available]	medium	14	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
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carbofuran	[no description available]	medium	1	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
chlorpheniramine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	6	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
clonidine	[no description available]	medium	3	0	clonidine; imidazoline
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyproheptadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
desipramine	[no description available]	medium	7	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
amphetamine	[no description available]	medium	5	0	primary amine
diazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	medium	4	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
ddt	[no description available]	medium	2	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
valproic acid	[no description available]	medium	13	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	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxepin	[no description available]	medium	2	0	dibenzooxepine; tertiary amino compound	antidepressant
flurbiprofen	[no description available]	medium	4	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene	[no description available]	medium	3	0	diarylmethane
guanfacine	[no description available]	medium	1	0	acetamides
haloperidol	[no description available]	medium	7	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ibuprofen	[no description available]	medium	5	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
ketanserin	[no description available]	medium	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
lorazepam	[no description available]	medium	1	0	benzodiazepine
mescaline	[no description available]	medium	1	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
methadone	[no description available]	medium	4	0	benzenes; diarylmethane; ketone; tertiary amino compound
metharbital	[no description available]	medium	1	0	organic molecular entity
mianserin	[no description available]	medium	4	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
muscimol	[no description available]	medium	12	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
naphazoline	[no description available]	medium	1	0	naphthalenes
nisoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
nomifensine	[no description available]	medium	4	0	isoquinolines	dopamine uptake inhibitor
oxotremorine	[no description available]	medium	3	0	N-alkylpyrrolidine
oxymetazoline	[no description available]	medium	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
phenylbutazone	[no description available]	medium	4	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
pipamperone	[no description available]	medium	1	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
prazosin	[no description available]	medium	4	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
propranolol	[no description available]	medium	8	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
pyrilamine	[no description available]	medium	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
pyrimethamine	[no description available]	medium	4	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
spiperone	[no description available]	medium	3	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
thioridazine	[no description available]	medium	2	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
trimethoprim	[no description available]	medium	8	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
wb 4101	[no description available]	medium	1	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
corticosterone	[no description available]	high	3	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
lysergic acid diethylamide	[no description available]	medium	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
phentolamine	[no description available]	medium	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
3,3',5-triiodothyroacetic acid	[no description available]	medium	2	0
thyroxine	[no description available]	high	34	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbachol	[no description available]	medium	7	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
aldosterone	[no description available]	high	6	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
pilocarpine	[no description available]	medium	9	0	pilocarpine	antiglaucoma drug
apomorphine	[no description available]	medium	3	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
piperoxan	[no description available]	medium	1	0
carbaryl	[no description available]	medium	2	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
cytidine monophosphate	[no description available]	high	4	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
medroxyprogesterone acetate	[no description available]	medium	6	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
cordycepin	[no description available]	medium	2	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
tetramethylammonium	[no description available]	medium	3	0	quaternary ammonium ion
mephobarbital	[no description available]	medium	4	0	barbiturates	anticonvulsant
yohimbine	[no description available]	medium	3	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
prenylamine	[no description available]	medium	1	0	diarylmethane
ketobemidone	[no description available]	medium	1	0	piperidines
cytisine	[no description available]	medium	1	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
bufotenin	[no description available]	medium	1	0	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
fructose-1,6-diphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate	mouse metabolite
dihydrotestosterone	[no description available]	high	5	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
trimellitic acid	[no description available]	medium	1	0	tricarboxylic acid
pimozide	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
benperidol	[no description available]	medium	1	0	aromatic ketone
benzetimide	[no description available]	medium	1	0	piperidines
acetylpyruvic acid	[no description available]	medium	1	0	beta-diketone; dioxo monocarboxylic acid	bacterial metabolite
metoprine	[no description available]	medium	1	0
coformycin	[no description available]	medium	1	0	coformycins	EC 3.5.4.4 (adenosine deaminase) inhibitor
pizotyline	[no description available]	medium	2	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lofexidine	[no description available]	medium	1	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate	[no description available]	medium	1	0
timolol	[no description available]	medium	2	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	1	0	tryptamines
penfluridol	[no description available]	medium	1	0	diarylmethane
tiamenidine	[no description available]	medium	1	0	organochlorine compound
sufentanil	[no description available]	medium	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
carfentanil	[no description available]	medium	1	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug
fenclofenac	[no description available]	medium	1	0	aromatic ether
flutonidine	[no description available]	medium	1	0
tutin	[no description available]	medium	1	0	gamma-lactone
nicotine	[no description available]	medium	5	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
5,6-dihydrouridine	[no description available]	medium	1	0	uridines	biomarker
methotrexate	[no description available]	medium	27	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
naproxen	[no description available]	medium	7	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
camphora	[no description available]	medium	1	0	camphor
atropine	[no description available]	medium	4	0
ouabain	[no description available]	medium	8	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
xylose 1-phosphate	[no description available]	medium	1	0	xylose phosphate
picrotoxinin	[no description available]	medium	1	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-monophosphate
etorphine	[no description available]	medium	1	0	alcohol; morphinane alkaloid	opioid analgesic; opioid receptor agonist; sedative
dieldrin	[no description available]	medium	2	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
benztropine	[no description available]	medium	1	0	diarylmethane
cinnarizine	[no description available]	medium	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
tamoxifen	[no description available]	medium	7	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
ketazocine	[no description available]	medium	1	0
dinoprostone	[no description available]	high	9	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	high	4	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
alprostadil	[no description available]	high	3	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
flupenthixol	[no description available]	medium	2	0	flupenthixol	dopaminergic antagonist
triprolidine	[no description available]	medium	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
guanabenz	[no description available]	medium	1	0	dichlorobenzene
2-amino-4-methoxy-3-butenoic acid	[no description available]	medium	1	0
24,25-dihydroxyvitamin d 3	[no description available]	medium	1	0
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	1	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
scopolamine hydrobromide	[no description available]	medium	1	0
dicumarol	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
warfarin	[no description available]	medium	26	0	benzenes; hydroxycoumarin; methyl ketone
warfarin	[no description available]	medium	26	2	benzenes; hydroxycoumarin; methyl ketone
clozapine	[no description available]	medium	4	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
oxypurinol	[no description available]	medium	2	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
allopurinol	[no description available]	medium	10	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
zidovudine	[no description available]	medium	6	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
u 75875	[no description available]	medium	1	0
theophylline	[no description available]	medium	12	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
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
adenosine monophosphate	[no description available]	high	61	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
arginine	[no description available]	high	46	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
framycetin	[no description available]	high	7	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
citrulline	[no description available]	high	10	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
malachite green	[no description available]	medium	1	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
tobramycin	[no description available]	medium	5	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
neamine	[no description available]	medium	1	0	2,6-dideoxy-alpha-D-glucoside; aminoglycoside	antibacterial agent
paromomycin	[no description available]	medium	3	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
flavin mononucleotide	[no description available]	medium	1	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid	[no description available]	medium	1	0	biotins
benzbromarone	[no description available]	medium	5	0	1-benzofurans; aromatic ketone	uricosuric drug
9,10-phenanthrenequinone	[no description available]	medium	1	0	phenanthrenes
benzo(b)fluoranthene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene	mutagen
malononitrile dimer	[no description available]	medium	1	0
toxoflavin	[no description available]	medium	1	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
methyl fluorone black	[no description available]	medium	2	0
6-hydroxydopa	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
desthiobiotin	[no description available]	medium	117	0	dethiobiotin
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione	[no description available]	medium	1	0	pyrimidotriazine
5-bromo-3-ethyl-1H-indole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone	[no description available]	medium	1	0	benzofurans
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one	[no description available]	medium	1	0	quinazolines
2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile	[no description available]	medium	1	0	phenylpyridine
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione	[no description available]	medium	1	0	pyrimidotriazine
1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone	[no description available]	medium	1	0	quinoxaline derivative
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide	[no description available]	medium	1	0	methoxybenzenes
2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione	[no description available]	medium	1	0	quinolines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine	[no description available]	medium	1	0	phenylpyridine
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one	[no description available]	medium	1	0	benzofurans
2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester	[no description available]	medium	1	0	alpha-amino acid ester
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide	[no description available]	medium	1	0	benzimidazoles
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide	[no description available]	medium	1	0	benzofurans
2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide	[no description available]	medium	1	0	toluenes
1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone	[no description available]	medium	1	0	quinoxaline derivative
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide	[no description available]	medium	1	0	quinolines
3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione	[no description available]	medium	1	0	triazoles
2-(2-quinoxalinylthio)propanoic acid	[no description available]	medium	1	0	quinoxaline derivative
ellagic acid	[no description available]	medium	3	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
3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one	[no description available]	medium	1	0	hydroxycoumarin
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one	[no description available]	medium	1	0	benzofurans
6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid	[no description available]	medium	1	0	phenylpyridine
lissamine rhodamine b	[no description available]	medium	1	0	organic sodium salt	fluorescent probe; fluorochrome; histological dye
methacycline monohydrochloride	[no description available]	medium	3	0
ethylene dichloride	[no description available]	medium	3	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
1,2,4-trichlorobenzene	[no description available]	medium	1	0	trichlorobenzene
benzene	[no description available]	medium	4	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
octane	[no description available]	medium	4	0	alkane	xenobiotic
naphthalene	[no description available]	medium	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
niacinamide	[no description available]	high	68	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
orotic acid	[no description available]	high	12	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	high	36	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenanthrene	[no description available]	medium	3	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
dimethyl sulfide	[no description available]	medium	1	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
thiamine	[no description available]	high	288	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	high	288	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
toluene	[no description available]	medium	3	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
benzo(a)pyrene	[no description available]	high	6	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
vitamin k 3	[no description available]	medium	4	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-dichlorobenzene	[no description available]	medium	3	0	dichlorobenzene	insecticide
procaine	[no description available]	medium	4	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
1,2,5,6-dibenzanthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene	mutagen
carbon tetrachloride	[no description available]	medium	5	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
benz(a)anthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
ethyl chloride	[no description available]	medium	1	0	chloroethanes	antipruritic drug; inhalation anaesthetic; local anaesthetic
trichlorofluoromethane	[no description available]	medium	1	0	chlorofluorocarbon; halomethane	environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant
pentachloroethane	[no description available]	medium	1	0	chloroethanes	non-polar solvent
isopentane	[no description available]	medium	1	0	alkane	refrigerant
trichloroethylene	[no description available]	medium	4	0	chloroethenes	inhalation anaesthetic; mouse metabolite
1,1,2,2-tetrachloroethane	[no description available]	medium	1	0	chloroethanes
pantothenic acid	[no description available]	medium	244	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
pantothenic acid	[no description available]	medium	244	2	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
acenaphthene	[no description available]	medium	1	0	acenaphthenes
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione	[no description available]	medium	1	0	flavin
fluorene	[no description available]	medium	2	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
1,2,3-trichlorobenzene	[no description available]	medium	1	0	trichlorobenzene
hexamethylbenzene	[no description available]	medium	1	0	methylbenzene
1-methylnaphthalene	[no description available]	medium	1	0	methylnaphthalene	carcinogenic agent; plant metabolite
1-chloronaphthalene	[no description available]	medium	1	0
2-methylnaphthalene	[no description available]	medium	1	0	methylnaphthalene
2-chloronaphthalene	[no description available]	medium	1	0
naphthacene	[no description available]	medium	1	0	acene; tetracenes
diphenyl	[no description available]	medium	1	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
2-xylene	[no description available]	medium	1	0	xylene
2-chlorotoluene	[no description available]	medium	1	0
2-dichlorobenzene	[no description available]	medium	1	0	dichlorobenzene	hepatotoxic agent; metabolite
pseudocumene	[no description available]	medium	1	0	trimethylbenzene	neurotoxin
durene	[no description available]	medium	1	0	tetramethylbenzene
1,2,4,5-tetrachlorobenzene	[no description available]	medium	1	0	tetrachlorobenzene
tert-butylbenzene	[no description available]	medium	1	0
cumene	[no description available]	medium	1	0	alkylbenzene
4-cymene	[no description available]	medium	1	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
ethylbenzene	[no description available]	medium	1	0	alkylbenzene
1,2-dihydrostilbene	[no description available]	medium	1	0	diphenylethane
n-propylbenzene	[no description available]	medium	1	0	alkylbenzene
n-butylbenzene	[no description available]	medium	1	0	alkylbenzene
1,4-dibromobenzene	[no description available]	medium	1	0	dibromobenzene
4-xylene	[no description available]	medium	1	0	xylene
4-chlorotoluene	[no description available]	medium	1	0	monochlorobenzenes
ethylene dibromide	[no description available]	medium	1	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
butane	[no description available]	medium	1	0	alkane; gas molecular entity	food propellant; refrigerant
1-butene	[no description available]	medium	1	0	butene
2-methylpentane	[no description available]	medium	1	0	alkane
3-xylene	[no description available]	medium	1	0	xylene
mesitylene	[no description available]	medium	1	0	trimethylbenzene
1,3,5-trichlorobenzene	[no description available]	medium	1	0	trichlorobenzene
bromobenzene	[no description available]	medium	3	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
chlorobenzene	[no description available]	medium	1	0	monochlorobenzenes	solvent
pentane	[no description available]	medium	2	0	alkane; volatile organic compound	non-polar solvent; refrigerant
1-pentene	[no description available]	medium	1	0
butyl chloride	[no description available]	medium	1	0
n-hexane	[no description available]	medium	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
cyclohexane	[no description available]	medium	2	0	cycloalkane; volatile organic compound	non-polar solvent
cyclohexene	[no description available]	medium	1	0	cycloalkene
nonane	[no description available]	medium	1	0	alkane	plant metabolite; volatile oil component
hexachlorobenzene	[no description available]	medium	2	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
anthracene	[no description available]	medium	3	0	acene; anthracenes; ortho-fused tricyclic hydrocarbon
n-heptane	[no description available]	medium	1	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
1,12-benzoperylene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
benzo(e)pyrene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mutagen
perylene	[no description available]	medium	6	0	ortho- and peri-fused polycyclic arene; perylenes
benzo(j)fluoranthene	[no description available]	medium	1	0	naphthalenes
fluoranthene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
benzo(k)fluoranthene	[no description available]	medium	1	0	naphthalenes
triphenylene	[no description available]	medium	1	0	ortho-fused polycyclic arene
chrysene	[no description available]	medium	1	0	ortho-fused polycyclic arene	plant metabolite
dibenzo(aj)anthracene	[no description available]	medium	1	0	phenanthrenes
benzo(a)fluorene	[no description available]	medium	1	0	carbotetracyclic compound
benzo(b)fluorene	[no description available]	medium	1	0	carbotetracyclic compound
adamantane	[no description available]	medium	11	0	adamantanes; polycyclic alkane
cyclopentane	[no description available]	medium	10	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
cyclooctane	[no description available]	medium	1	0
diethyl sulfide	[no description available]	medium	1	0	ethyl sulfide
fluorobenzenes	[no description available]	medium	4	0	monofluorobenzenes	NMR chemical shift reference compound
cholanthrene	[no description available]	medium	1	0
menadiol	[no description available]	medium	1	0	methylnaphthalenes; naphthalenediols; naphthohydroquinone
hemimellitene	[no description available]	medium	1	0	trimethylbenzene	neurotoxin; plant metabolite
1-chloropropane	[no description available]	medium	1	0
2,2,4-trimethylpentane	[no description available]	medium	3	0	alkane; volatile organic compound	fuel additive; nephrotoxin; non-polar solvent
1,3-dichlorobenzene	[no description available]	medium	1	0	dichlorobenzene
1-chlorohexane	[no description available]	medium	1	0
1,4-dimethylnaphthalene	[no description available]	medium	1	0	dimethylnaphthalene
2,6-dimethylnaphthalene	[no description available]	medium	1	0	dimethylnaphthalene	environmental contaminant
1,2-dibromobenzene	[no description available]	medium	1	0	dibromobenzene
iodobenzene	[no description available]	medium	1	0
1-hexene	[no description available]	medium	1	0	alkene
pentachlorobenzene	[no description available]	medium	1	0	pentachlorobenzenes	persistent organic pollutant
2-methylanthracene	[no description available]	medium	1	0
1,2,3,4-tetrachlorobenzene	[no description available]	medium	1	0	tetrachlorobenzene
1,2,3,5-tetrachlorobenzene	[no description available]	medium	1	0	tetrachlorobenzene
9-methylanthracene	[no description available]	medium	1	0
9,10-dimethylanthracene	[no description available]	medium	1	0
undecane	[no description available]	medium	1	0	alkane
d-alpha tocopherol	[no description available]	high	50	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
6-methylchrysene	[no description available]	medium	1	0	carbopolycyclic compound
decane	[no description available]	medium	1	0	alkane
12-methylbenzanthracene	[no description available]	medium	1	0
2-methylphenanthrene	[no description available]	medium	1	0
7-methylbenzanthracene	[no description available]	medium	1	0
5-methylchrysene	[no description available]	medium	1	0	carbopolycyclic compound
5,6-dimethylchrysene	[no description available]	medium	1	0
7-ethylbenz(a)anthracene	[no description available]	medium	1	0
tetrachloroethylene	[no description available]	medium	2	0	chlorocarbon; chloroethenes	nephrotoxic agent
pyrene	[no description available]	medium	6	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
2,3,4,5-tetrachlorobiphenyl	[no description available]	medium	1	0	tetrachlorobenzene; tetrachlorobiphenyl
2,5-dichlorobiphenyl	[no description available]	medium	1	0	dichlorobenzene; dichlorobiphenyl
2,4'-dichlorobiphenyl	[no description available]	medium	1	0	dichlorobiphenyl; monochlorobenzenes
2,4,6-trichlorobiphenyl	[no description available]	medium	1	0
2-chlorobiphenyl	[no description available]	medium	1	0	monochlorobiphenyl
7-dehydrocholesterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol	human metabolite; mouse metabolite
retinol	[no description available]	high	66	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
vitamin d 2	[no description available]	high	6	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol	[no description available]	high	6	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
vitamin k 1	[no description available]	high	2	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
vitamin a2	[no description available]	medium	1	0	retinoid; vitamin A	human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite
ascorbic acid	[no description available]	high	116	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
folic acid	[no description available]	high	248	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	high	24	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	high	2	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine	[no description available]	high	3	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	high	43	2	amino-acid betaine	human metabolite; mouse metabolite
carnitine	[no description available]	high	43	0	amino-acid betaine	human metabolite; mouse metabolite
salicylic acid	[no description available]	medium	6	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	4	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine	[no description available]	high	7	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	45	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
lactic acid	[no description available]	medium	45	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	high	8	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	high	34	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	high	54	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	high	15	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	5	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	63	0	cyclitol; hexol
niacin	[no description available]	high	107	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
phenylacetic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyrazinamide	[no description available]	medium	3	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	high	27	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	high	180	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	high	9	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	high	55	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
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
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	5	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	4	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	3	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	4	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	2	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	1	0	aromatic amine
aminoglutethimide	[no description available]	medium	3	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine	[no description available]	medium	4	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
amiodarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	1	0	barbiturates
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	1	0	anthracenes	antipsoriatic
aspirin	[no description available]	medium	5	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
atenolol	[no description available]	medium	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	3	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
bicalutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	1	0	biphenyls; imidazoles
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	0	organic molecular entity
bumetanide	[no description available]	medium	4	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	3	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	4	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
caffeine	[no description available]	high	7	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil	[no description available]	medium	3	0	aromatic ether; nitrile; polyether; tertiary amino compound
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol	[no description available]	medium	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib	[no description available]	medium	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	1	0	benzodiazepine
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroquine	[no description available]	medium	6	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpropamide	[no description available]	medium	3	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	3	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cimetidine	[no description available]	medium	3	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
ciprofloxacin	[no description available]	medium	4	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
cisapride	[no description available]	medium	3	0	benzamides
citalopram	[no description available]	medium	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	2	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	1	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	4	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	2	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
clotrimazole	[no description available]	medium	3	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	4	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	7	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine	[no description available]	medium	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
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
diflunisal	[no description available]	medium	3	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	1	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
dipyridamole	[no description available]	medium	4	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	2	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
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	2	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
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
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810	[no description available]	medium	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	3	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	3	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	3	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	4	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	4	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	4	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	9	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	5	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furosemide	[no description available]	medium	3	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	3	0	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	3	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	3	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
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	2	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
halothane	[no description available]	medium	7	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	3	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hexobarbital	[no description available]	medium	1	0	barbiturates
hydralazine	[no description available]	medium	4	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	3	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	6	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine	[no description available]	medium	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	3	0	primary amine
lidocaine	[no description available]	medium	13	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide	[no description available]	medium	3	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	3	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indomethacin	[no description available]	medium	6	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
iohexol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	3	0	carbohydrazide; pyridines
avapro	[no description available]	medium	3	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	8	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	medium	5	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
isradipine	[no description available]	medium	1	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	1	0	piperazines
ketamine	[no description available]	medium	3	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoconazole	[no description available]	medium	4	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	4	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
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
labetalol	[no description available]	medium	3	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lofepramine	[no description available]	medium	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	6	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	1	0	organic molecular entity
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	1	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	3	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
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	3	0	organic molecular entity
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	5	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methoxsalen	[no description available]	medium	3	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	3	0	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	1	0	organic molecular entity
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	6	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
miconazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
minoxidil	[no description available]	medium	4	0	dialkylarylamine; tertiary amino compound
mirtazapine	[no description available]	medium	1	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil	[no description available]	medium	1	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	1	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	4	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	2	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
nifedipine	[no description available]	medium	3	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	3	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	4	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
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
nizatidine	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	1	0	carbazoles
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin	[no description available]	medium	3	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxprenolol	[no description available]	medium	1	0	aromatic ether
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	6	0	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	3	0	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	4	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	3	0	oxopurine
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
perphenazine	[no description available]	medium	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	3	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	6	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	2	0	phenols
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
moxonidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
pinacidil	[no description available]	medium	3	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	2	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	3	0	isoquinolines
primaquine	[no description available]	medium	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	6	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	7	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	3	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
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
promethazine	[no description available]	medium	2	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	3	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
ranitidine	[no description available]	medium	3	0	aralkylamine
opc 12759	[no description available]	medium	1	0	secondary carboxamide
riluzole	[no description available]	medium	4	0	benzothiazoles
risperidone	[no description available]	medium	3	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	medium	2	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
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
vorinostat	[no description available]	medium	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	medium	3	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
sulfamethizole	[no description available]	medium	3	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	medium	2	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
sulfanilamide	[no description available]	medium	4	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
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	3	0
sulfinpyrazone	[no description available]	medium	3	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin	[no description available]	medium	2	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
gatifloxacin	[no description available]	medium	3	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	1	0	benzodiazepine
temozolomide	[no description available]	medium	3	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
temozolomide	[no description available]	medium	3	1	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
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
terfenadine	[no description available]	medium	3	0	diarylmethane
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	4	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	2	0	N-acyl-amino acid
tizanidine	[no description available]	medium	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazamide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	3	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone	[no description available]	medium	1	0	aromatic ketone
ultram	[no description available]	medium	1	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	1	0	amino acid
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethadione	[no description available]	medium	3	0	oxazolidinone	anticonvulsant; geroprotector
troglitazone	[no description available]	medium	4	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
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	3	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	3	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	1	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	3	0	mitomycin	alkylating agent; antineoplastic agent
prednisolone	[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; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol	[no description available]	high	2	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
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
cephaloridine	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
sorbitol	[no description available]	high	8	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	4	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	2	0	nucleobase analogue; pyrimidines	mutagen
histamine dihydrochloride	[no description available]	medium	1	0
dextroamphetamine	[no description available]	medium	2	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
spironolactone	[no description available]	medium	4	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital	[no description available]	medium	1	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	6	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
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
prednisone	[no description available]	medium	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone	[no description available]	high	7	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	high	3	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
penicillin g	[no description available]	medium	8	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
triiodothyronine	[no description available]	high	20	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
chloramphenicol	[no description available]	high	17	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
glutamine	[no description available]	high	20	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
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	4	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	high	34	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol	[no description available]	medium	4	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	1	0	steroid ester
aminopyrine	[no description available]	medium	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	2	0	benzoquinolizine; cyclic ketone; tertiary amino compound
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	high	8	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	3	0	kanamycins	bacterial metabolite
phenylephrine	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
levodopa	[no description available]	high	4	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
niridazole	[no description available]	medium	2	0	1,3-thiazoles; C-nitro compound
lactose	[no description available]	medium	24	0	lactose
lactose	[no description available]	medium	24	1	lactose
methionine	[no description available]	high	71	3	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
methionine	[no description available]	high	71	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
colchicine	[no description available]	medium	13	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
norethindrone	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	0	oxo steroid
benziodarone	[no description available]	medium	1	0	aromatic ketone
ampicillin	[no description available]	medium	5	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	high	8	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	3	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
mestranol	[no description available]	medium	3	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
tryptophan	[no description available]	high	55	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
triamcinolone acetonide	[no description available]	medium	2	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
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
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
isosorbide dinitrate	[no description available]	medium	3	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
furan	[no description available]	medium	4	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	1	0	bromide salt
phenformin	[no description available]	medium	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	3	0	quinolines
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	1	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	3	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	1	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	5	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
betamethasone	[no description available]	medium	3	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	3	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
dextropropoxyphene	[no description available]	medium	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	1	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
chlormethiazole	[no description available]	medium	1	0	thiazoles
methamphetamine	[no description available]	medium	2	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	medium	3	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
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
acetylcysteine	[no description available]	high	8	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
erythromycin	[no description available]	medium	5	0	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	1	0
estradiol valerate	[no description available]	medium	1	0	steroid ester
vancomycin	[no description available]	medium	5	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
dronabinol	[no description available]	medium	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	5	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
sulfadoxine	[no description available]	medium	1	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	3	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
iproclozide	[no description available]	medium	1	0	aromatic ether
streptomycin	[no description available]	medium	9	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	4	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
vidarabine	[no description available]	medium	3	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
zalcitabine	[no description available]	medium	3	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
camptothecin	[no description available]	medium	18	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	2	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	0	benzamides
selegiline	[no description available]	medium	1	0	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	1	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	3	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	2	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
oxyphenisatin	[no description available]	medium	1	0	indoles
ursodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	high	89	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	1	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	3	0	pyrroline
paclitaxel	[no description available]	high	25	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	7	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
ribavirin	[no description available]	medium	4	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin	[no description available]	medium	3	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	3	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	3	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	4	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	3	0
diltiazem	[no description available]	medium	1	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
benoxaprofen	[no description available]	medium	3	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	4	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	2	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
epirubicin	[no description available]	medium	4	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	3	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	5	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	1	0	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	3	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	3	0
lovastatin	[no description available]	medium	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	1	0	aromatic ketone
piritrexim	[no description available]	medium	1	0
simvastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	2	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	3	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	3	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	2	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	3	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	3	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	3	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine	[no description available]	medium	1	0	duloxetine
irinotecan	[no description available]	medium	4	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	3	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adefovir dipivoxil	[no description available]	medium	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	high	31	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
cefprozil	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	2	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	high	4	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
intoplicine	[no description available]	medium	1	0	pyridoindole
telmisartan	[no description available]	medium	3	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
dexrazoxane	[no description available]	medium	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
rosiglitazone	[no description available]	medium	3	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	3	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
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
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
gefitinib	[no description available]	medium	3	1	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1	0
sulbactam	[no description available]	medium	1	0	penicillanic acids
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
ilomastat	[no description available]	medium	2	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	3	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe	[no description available]	medium	2	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
tezosentan	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[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
avasimibe	[no description available]	medium	1	0	monoterpenoid
troleandomycin	[no description available]	medium	3	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
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
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	2	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib	[no description available]	medium	1	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir	[no description available]	medium	4	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	high	8	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
quinidine	[no description available]	medium	3	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
meropenem	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin	[no description available]	medium	5	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	1	0
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	3	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	3	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	1	0	organic molecular entity
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
tretinoin	[no description available]	high	12	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	high	21	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus	[no description available]	medium	7	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	4	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	high	8	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
eicosapentaenoic acid	[no description available]	high	2	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
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	2	0
fosfomycin	[no description available]	medium	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	4	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	3	0
diethylstilbestrol	[no description available]	medium	10	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
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	1	0	2'-deoxyribonucleoside
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
dactinomycin	[no description available]	medium	23	0	actinomycin	mutagen
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
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
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
rubitecan	[no description available]	medium	1	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin	[no description available]	medium	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	high	196	2	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
riboflavin	[no description available]	high	196	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	6	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	2	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	2	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
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
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	2	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
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
prothionamide	[no description available]	medium	1	0	pyridines
etomidate	[no description available]	medium	1	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	4	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	3	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin	[no description available]	medium	9	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	3	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	24	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	3	0
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647	[no description available]	medium	3	0
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
or 1259	[no description available]	medium	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	1	0	steroid	estrogen
orlistat	[no description available]	medium	3	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	3	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
tolcapone	[no description available]	medium	3	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
calcitriol	[no description available]	high	2	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	high	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
amphotericin b	[no description available]	medium	5	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	1	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
oxymetholone	[no description available]	medium	1	0
montelukast	[no description available]	medium	3	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone	[no description available]	medium	3	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	5	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	5	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	1	0
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
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	3	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
acitretin	[no description available]	medium	3	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	1	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	5	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	1	0	morphinane alkaloid
sirolimus	[no description available]	medium	4	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate	[no description available]	medium	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine	[no description available]	medium	5	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
demycarosylturimycin h	[no description available]	medium	1	0
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
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
furazolidone	[no description available]	medium	3	0
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
naltrexone	[no description available]	medium	6	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
cefixime	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	5	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	2	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
indinavir sulfate	[no description available]	medium	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	3	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
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	2	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	2	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
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
trandolapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
famotidine	[no description available]	medium	3	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	3	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
ixabepilone	[no description available]	medium	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
dantrolene sodium	[no description available]	medium	3	0
nitrofurantoin	[no description available]	medium	3	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	1	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	1	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	2	0	organic molecular entity
gentamicin sulfate	[no description available]	medium	2	0
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	3	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	1	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	3	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
novobiocin	[no description available]	medium	3	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	7	0
chlortetracycline	[no description available]	medium	5	0
oxytetracycline, anhydrous	[no description available]	medium	6	0
minocycline	[no description available]	medium	1	0
piroxicam	[no description available]	medium	3	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	3	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	medium	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
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
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[no description available]	medium	1	0
lornoxicam	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1	0
entecavir	[no description available]	medium	1	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir	[no description available]	medium	3	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
inosine	[no description available]	high	2	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
rifampin	[no description available]	high	5	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
dacarbazine	[no description available]	medium	4	0	dacarbazine
dacarbazine	[no description available]	medium	4	1	dacarbazine
didanosine	[no description available]	medium	3	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	3	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1	0
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	3	0
ethylene glycol	[no description available]	high	8	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
melatonin	[no description available]	high	8	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
2,4-dinitrophenol	[no description available]	medium	7	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
3-methylcholanthrene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
tacrine	[no description available]	medium	2	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
amoxapine	[no description available]	medium	2	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
bithionol	[no description available]	medium	2	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
candesartan	[no description available]	medium	2	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ciclopirox	[no description available]	medium	2	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	2	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
clomipramine	[no description available]	medium	2	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cromolyn	[no description available]	medium	2	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
diethylcarbamazine	[no description available]	medium	2	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	2	0	dithiol; primary alcohol	chelator
donepezil	[no description available]	medium	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
ethosuximide	[no description available]	medium	3	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fexofenadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fipexide	[no description available]	medium	2	0	benzodioxoles
foscarnet	[no description available]	medium	3	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
gabapentin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	2	0	sulfonamide
hycanthone	[no description available]	medium	2	0	thioxanthenes	mutagen; schistosomicide drug
isocarboxazid	[no description available]	medium	2	0	benzenes
ketotifen	[no description available]	medium	2	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
maprotiline	[no description available]	medium	2	0	anthracenes
meclofenamate sodium anhydrous	[no description available]	medium	2	0	organic sodium salt
memantine	[no description available]	medium	2	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
methapyrilene	[no description available]	medium	2	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
nocodazole	[no description available]	medium	5	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
metolazone	[no description available]	medium	2	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
oxibendazole	[no description available]	medium	2	0	benzimidazoles; carbamate ester
pamidronate	[no description available]	medium	2	0	phosphonoacetic acid
pargyline	[no description available]	medium	3	0	aromatic amine
perhexiline	[no description available]	medium	2	0	piperidines	cardiovascular drug
pindolol	[no description available]	medium	2	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pioglitazone	[no description available]	medium	4	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
raloxifene	[no description available]	medium	2	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
sulfabenzamide	[no description available]	medium	2	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
sumatriptan	[no description available]	medium	2	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
tolmetin	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	2	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
zomepirac	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
oxyphenonium	[no description available]	medium	2	0	acylcholine
isoproterenol hydrochloride	[no description available]	medium	2	0	catechols
promazine hydrochloride	[no description available]	medium	2	0	hydrochloride
2-acetylaminofluorene	[no description available]	medium	6	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
idoxuridine	[no description available]	medium	5	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
promethazine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
acetylcholine chloride	[no description available]	medium	2	0	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	2	0	dimethoxybenzene
dimethylnitrosamine	[no description available]	medium	2	0	nitrosamine	geroprotector; mutagen
primaquine phosphate	[no description available]	medium	2	0
gallamine triethiodide	[no description available]	medium	2	0
uracil mustard	[no description available]	medium	2	0	aminouracil; nitrogen mustard
chloroform	[no description available]	medium	8	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethylformamide	[no description available]	medium	5	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
tromethamine	[no description available]	medium	4	0	primary amino compound; triol	buffer
cyclizine	[no description available]	medium	2	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
rotenone	[no description available]	medium	3	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
hexachlorobutadiene	[no description available]	medium	1	0	organochlorine compound
phenothiazine	[no description available]	medium	2	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
2-bromophenol	[no description available]	medium	2	0	bromophenol	marine metabolite
3-dinitrobenzene	[no description available]	medium	1	0	dinitrobenzene	neurotoxin
pyridostigmine bromide	[no description available]	medium	2	0	pyridinium salt
4,4'-diaminodiphenylmethane	[no description available]	medium	2	0	aromatic amine	allergen; carcinogenic agent
phenylisothiocyanate	[no description available]	medium	2	0	isothiocyanate	allergen; reagent
4-bromophenol	[no description available]	medium	2	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
2-bromoethylamine	[no description available]	medium	2	0
allyl alcohol	[no description available]	medium	2	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
imipramine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant
edrophonium chloride	[no description available]	medium	2	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate	[no description available]	medium	2	0	diester; phthalate ester	plasticiser
phenazopyridine hydrochloride	[no description available]	medium	2	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	2	0	benzoate ester
diphenhydramine hydrochloride	[no description available]	medium	2	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
tripelennamine hydrochloride	[no description available]	medium	2	0
ethynodiol diacetate	[no description available]	medium	2	0	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
hydrazine	[no description available]	medium	39	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
monocrotaline	[no description available]	medium	2	0	pyrrolizidine alkaloid
pseudoephedrine hydrochloride	[no description available]	medium	2	0	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
lithocholic acid	[no description available]	high	3	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
amitriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound
1-naphthylisothiocyanate	[no description available]	medium	2	0	isothiocyanate	insecticide
isoxsuprine hydrochloride	[no description available]	medium	2	0	alkylbenzene
betaine hydrochloride	[no description available]	medium	2	0
3-hydroxyacetanilide	[no description available]	medium	2	0	acetamides; phenols	non-narcotic analgesic
methoxyacetic acid	[no description available]	medium	2	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	2	0	hydrochloride
pregnenolone carbonitrile	[no description available]	medium	1	0	aliphatic nitrile
ibufenac	[no description available]	medium	2	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	0	polychlorinated dibenzodioxine
paraquat	[no description available]	medium	6	0	organic cation	geroprotector; herbicide
clonidine hydrochloride	[no description available]	medium	2	0	dichlorobenzene
ethylene dimethanesulfonate	[no description available]	medium	2	0
mexiletine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
beclomethasone dipropionate	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
metoclopramide hydrochloride	[no description available]	medium	2	0
carbendazim	[no description available]	medium	2	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
ethionine	[no description available]	medium	10	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
disopyramide phosphate	[no description available]	medium	2	0	organoammonium phosphate
butylated hydroxytoluene	[no description available]	medium	3	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
moricizine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
serentil	[no description available]	medium	2	0	organosulfonate salt	dopaminergic antagonist; first generation antipsychotic
propafenone hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
carbidopa	[no description available]	medium	2	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
nonachlazine	[no description available]	medium	1	0
flecainide acetate	[no description available]	medium	2	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	2	0	dihydropyridine	geroprotector
indacrinone	[no description available]	medium	2	0
butoconazole nitrate	[no description available]	medium	2	0	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
fialuridine	[no description available]	medium	2	0
mitoxantrone hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
bambuterol	[no description available]	medium	2	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine	[no description available]	medium	2	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
alpidem	[no description available]	medium	2	0	imidazoles
temafloxacin	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
clinafloxacin	[no description available]	medium	2	0	quinolines
mibefradil	[no description available]	medium	2	0	tetralins	T-type calcium channel blocker
tasosartan	[no description available]	medium	2	0	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	0	organic molecular entity
allyl formate	[no description available]	medium	2	0
desferrioxamine b mesylate	[no description available]	medium	2	0	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
bupropion hydrochloride	[no description available]	medium	2	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	24	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trovafloxacin	[no description available]	medium	2	0
verapamil hydrochloride	[no description available]	medium	2	0
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	2	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
amantadine hydrochloride	[no description available]	medium	2	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
dobutamine hydrochloride	[no description available]	medium	2	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
iopamidol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
trimethobenzamide monohydrochloride	[no description available]	medium	2	0
amiloride hydrochloride	[no description available]	medium	2	0	hydrate	diuretic; sodium channel blocker
econazole nitrate	[no description available]	medium	2	0
lomefloxacin hydrochloride	[no description available]	medium	2	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
flunoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	3	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
loperamide hydrochloride	[no description available]	medium	2	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
grepafloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2-naphthylisothiocyanate	[no description available]	medium	2	0
chloroquine diphosphate	[no description available]	medium	2	0
orphenadrine citrate	[no description available]	medium	2	0	citrate salt	H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
ketorolac tromethamine	[no description available]	medium	2	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	2	0	pyrrolidines
phentolamine mesylate	[no description available]	medium	2	0
oxybutynin hydrochloride	[no description available]	medium	2	0	hydrochloride
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	0	secondary alcohol
cordium	[no description available]	medium	2	0	hydrate; hydrochloride
dilevalol	[no description available]	medium	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nsc-141549	[no description available]	medium	2	0
aflatoxin b1	[no description available]	high	7	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
fludrocortisone acetate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone
vincristine sulfate	[no description available]	medium	2	0	organic sulfate salt	antineoplastic agent; geroprotector
acivicin	[no description available]	medium	2	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
puromycin	[no description available]	medium	19	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
(+)-limonene	[no description available]	medium	2	0	limonene	plant metabolite
cefoxitin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
moxalactam disodium	[no description available]	medium	2	0
abacavir	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
mometasone furoate	[no description available]	medium	2	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
nortriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound	geroprotector
kanamycin sulfate	[no description available]	medium	2	0	aminoglycoside sulfate salt	antibacterial drug; geroprotector
paromomycin sulfate	[no description available]	medium	2	0
chloramphenicol palmitate	[no description available]	medium	2	0	hexadecanoate ester
calcium pantothenate	[no description available]	medium	2	0	polymer
maleic acid	[no description available]	medium	3	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
cyanoginosin lr	[no description available]	medium	4	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
azaserine	[no description available]	medium	6	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
arsenic trioxide	[no description available]	medium	2	0	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	0	anthracycline
carbenoxolone sodium	[no description available]	medium	4	0	triterpenoid
thiothixene	[no description available]	medium	2	0	N-methylpiperazine	anticoronaviral agent
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	0	hydrochloride
thioacetamide	[no description available]	medium	2	0	thiocarboxamide	hepatotoxic agent
quinine	[no description available]	medium	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
retinol palmitate	[no description available]	medium	2	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
eprosartan	[no description available]	medium	2	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
timolol maleate	[no description available]	medium	2	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	2	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	0	organic molecular entity
clemastine fumarate	[no description available]	medium	2	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	0	ergoline alkaloid	geroprotector
estradiol-17 beta-glucuronide	[no description available]	medium	2	0	3-hydroxy steroid; steroid glucosiduronic acid
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
phenoxybenzamine hydrochloride	[no description available]	medium	2	0	organic molecular entity
ly 163892	[no description available]	medium	2	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nalmefene	[no description available]	medium	2	0	morphinane alkaloid
octylmethoxycinnamate	[no description available]	medium	2	0	cinnamate ester
benazepril	[no description available]	medium	2	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
vinblastine sulfate	[no description available]	medium	2	0
trientine hydrochloride	[no description available]	medium	2	0
dextromethorphan hydrobromide	[no description available]	medium	2	0	hydrate; hydrobromide
ceftazidime	[no description available]	medium	2	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
fenoterol	[no description available]	medium	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
enclomiphene citrate	[no description available]	medium	1	0
diphenoxylate hydrochloride	[no description available]	medium	2	0	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	0	maleate salt	diagnostic agent; oxytocic
ursodoxicoltaurine	[no description available]	medium	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
molindone hydrochloride	[no description available]	medium	2	0	indoles
cytidine diphosphate choline	[no description available]	medium	2	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
clindamycin hydrochloride	[no description available]	medium	2	0	S-glycosyl compound
quinine sulfate	[no description available]	medium	2	0	hydrate
cefotiam hydrochloride	[no description available]	medium	2	0
potassium aminobenzoate	[no description available]	medium	2	0
methicillin sodium	[no description available]	medium	2	0	organic sodium salt
nafcillin sodium	[no description available]	medium	2	0	organic sodium salt
penicillin g sodium	[no description available]	medium	2	0	organic sodium salt
cefamandole nafate	[no description available]	medium	2	0	organic sodium salt	antibacterial drug
cephapirin sodium	[no description available]	medium	2	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	2	0	organic sodium salt
dicloxacillin sodium	[no description available]	medium	2	0	hydrate
azlocillin sodium	[no description available]	medium	2	0	organic sodium salt
isoxicam	[no description available]	medium	2	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
chlortetracycline hydrochloride	[no description available]	medium	2	0
minocycline hydrochloride	[no description available]	medium	2	0
demeclocycline hydrochloride	[no description available]	medium	2	0
citrovorum factor	[no description available]	medium	2	0	tetrahydrofolic acid
4-aminophenol	[no description available]	medium	3	0	aminophenol	allergen; metabolite
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
telenzepine	[no description available]	medium	1	0	benzodiazepine
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	5	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
tolrestat	[no description available]	medium	1	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
cox 189	[no description available]	medium	1	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
olmesartan	[no description available]	medium	1	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
lapatinib	[no description available]	medium	1	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
taurolithocholic acid	[no description available]	medium	1	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
indinavir sulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt
ampicillin sodium	[no description available]	medium	1	0	organic sodium salt
sudoxicam	[no description available]	medium	1	0
jcc 76	[no description available]	medium	1	0
adenosine diphosphate	[no description available]	high	34	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
cytidine	[no description available]	high	6	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
beta-D-ribopyranose	[no description available]	medium	2	0	D-ribopyranose
(4-tert-Butyl-phenoxy)-acetic acid	[no description available]	medium	1	0	monocarboxylic acid
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one	[no description available]	medium	1	0	pentahydroxyflavone
1-Anilino-9,10-dioxo-2-anthroic acid	[no description available]	medium	1	0	anthracenes
4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid	[no description available]	medium	1	0	oxopurine
3-(3-pyridinyl)propanoic acid	[no description available]	medium	1	0	pyridines
myricitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid	[no description available]	medium	1	0	imidazopyrazine
streptovaricin c	[no description available]	medium	2	0
galloflavin	[no description available]	medium	1	0
1-naphthylphenylamine	[no description available]	medium	1	0	naphthalenes
2-isobutyl-3-methoxypyrazine	[no description available]	medium	1	0
enterobactin	[no description available]	medium	1	0	catechols; crown compound; macrotriolide; polyphenol	bacterial metabolite; siderophore
sinefungin	[no description available]	medium	3	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
6-phosphogluconic acid	[no description available]	medium	1	0	gluconic acid phosphate	fundamental metabolite
2-(sec-butyl)-4,5-dihydrothiazole	[no description available]	medium	1	0
pnu 142372	[no description available]	medium	1	0
pnu 107859	[no description available]	medium	1	0
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine	[no description available]	medium	1	0	imidazoles
rocaglamide	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
aglafoline	[no description available]	medium	1	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
rocagloic acid	[no description available]	medium	1	0
episilvestrol	[no description available]	medium	1	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
tert-butylhydroperoxide	[no description available]	medium	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
diphenyldiselenide	[no description available]	medium	1	0
2-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones	food antioxidant
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	[no description available]	medium	4	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
pyrophosphate	[no description available]	medium	4	0	diphosphate ion
phytic acid	[no description available]	medium	2	0	inositol phosphate
diphosphoric acid	[no description available]	medium	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
cadaverine	[no description available]	medium	22	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
gold	[no description available]	medium	362	0	copper group element atom; elemental gold
thionine	[no description available]	medium	5	0
chitosan	[no description available]	medium	29	1
7,8-diaminopelargonic acid	[no description available]	medium	15	0	amino fatty acid; amino monocarboxylic acid
hydrogen sulfide	[no description available]	medium	16	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
cysteine	[no description available]	medium	238	0	cysteinium	fundamental metabolite
3-phenoxybenzoic acid	[no description available]	medium	1	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
caseins	[no description available]	medium	36	0
1,2,4-triazole	[no description available]	medium	1	0	1,2,4-triazole
triazoles	[no description available]	medium	8	0	1,2,3-triazole
eosine yellowish-(ys)	[no description available]	medium	8	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
tyramine	[no description available]	medium	90	1	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
aflatoxin m1	[no description available]	medium	1	0	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
ochratoxin a	[no description available]	medium	6	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
europium	[no description available]	medium	47	0	f-block element atom; lanthanoid atom
phytochlorin	[no description available]	medium	2	0
D-fructopyranose	[no description available]	medium	16	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
2,3,4,5,6-pentafluorophenol	[no description available]	medium	1	0
5-methylcytosine	[no description available]	medium	8	0	methylcytosine; pyrimidines	human metabolite
4-aminophenylphosphate	[no description available]	medium	3	0
iminobiotin	[no description available]	medium	11	0
brusatol	[no description available]	medium	1	0	triterpenoid
docetaxel anhydrous	[no description available]	medium	4	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
clay	[no description available]	medium	1	0
lignin	[no description available]	medium	3	0
transferrin	[no description available]	medium	45	0
patulin	[no description available]	medium	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
vitamin k semiquinone radical	[no description available]	medium	41	1
platinum	[no description available]	medium	16	0	elemental platinum; nickel group element atom; platinum group metal atom
propionic acid	[no description available]	medium	9	0	saturated fatty acid; short-chain fatty acid	antifungal drug
artenimol	[no description available]	medium	1	0
transforming growth factor beta	[no description available]	medium	12	0
thiophenes	[no description available]	medium	25	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
benzothiophene	[no description available]	medium	1	0	1-benzothiophenes; benzothiophene
serine	[no description available]	medium	54	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
fucose	[no description available]	medium	10	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
iodine	[no description available]	medium	7	0	diatomic iodine	nutrient
azides	[no description available]	medium	137	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
silicon	[no description available]	medium	60	0	carbon group element atom; metalloid atom; nonmetal atom
oligonucleotides	[no description available]	medium	154	0
zinc oxide	[no description available]	medium	10	0	zinc molecular entity
nickel	[no description available]	medium	33	0	metal allergen; nickel group element atom	epitope; micronutrient
interleukin-8	[no description available]	medium	9	0
erythrosine	[no description available]	medium	150	0
durapatite	[no description available]	medium	6	0
hypochlorous acid	[no description available]	medium	2	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
o-(biotinylcarbazoylmethyl)hydroxylamine	[no description available]	medium	11	0
alanine	[no description available]	medium	53	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
1,2-diaminobenzene	[no description available]	medium	2	0	phenylenediamine	hydrogen donor
5-hydroxymethylcytosine	[no description available]	medium	5	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
osmium tetroxide	[no description available]	medium	3	0	osmium coordination entity	fixative; histological dye; oxidising agent; poison
dexpanthenol	[no description available]	medium	2	1	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
silver	[no description available]	medium	77	0	copper group element atom; elemental silver	Escherichia coli metabolite
lysine	[no description available]	medium	245	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
acetyl coenzyme a	[no description available]	medium	46	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
iridium	[no description available]	medium	9	0	cobalt group element atom; platinum group metal atom
singlet oxygen	[no description available]	medium	6	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
imidazolidines	[no description available]	medium	2	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
titanium	[no description available]	medium	14	0	titanium group element atom
curcumin	[no description available]	medium	10	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
methane	[no description available]	medium	44	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
ruthenium	[no description available]	medium	24	0	iron group element atom; platinum group metal atom
molybdenum	[no description available]	medium	9	0	chromium group element atom	micronutrient
laccase	[no description available]	medium	1	0
quercetin	[no description available]	medium	5	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
dynorphins	[no description available]	medium	8	0
muramidase	[no description available]	medium	35	0
6-carboxyfluorescein	[no description available]	medium	10	0	monocarboxylic acid
tyrosine	[no description available]	medium	68	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
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
2,2-bis(bromomethyl)-1,3-propanediol	[no description available]	medium	5	0	primary alcohol
hematoxylin	[no description available]	medium	5	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
raffinose	[no description available]	medium	2	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
flavin-adenine dinucleotide	[no description available]	medium	8	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
spermine	[no description available]	medium	7	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
guanosine	[no description available]	medium	9	0	guanosines; purines D-ribonucleoside	fundamental metabolite
guanosine tetraphosphate	[no description available]	medium	1	0	guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
naphthoquinones	[no description available]	medium	6	0
1,2-naphthoquinone-4-sulfonate	[no description available]	medium	1	0	arenesulfonic acid; naphthalenone	colorimetric reagent
digoxigenin	[no description available]	medium	172	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol	hapten; plant metabolite
ozone	[no description available]	medium	3	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
dimaprit	[no description available]	medium	1	0	imidothiocarbamic ester
nucleoside q	[no description available]	medium	1	0	7-deazaguanine ribonucleoside
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
leukotriene b4	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
leupeptins	[no description available]	medium	5	0
pyruvic acid	[no description available]	medium	30	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
arsenic	[no description available]	medium	13	0	metalloid atom; pnictogen	micronutrient
s-nitrosoglutathione	[no description available]	medium	12	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
ajoene	[no description available]	medium	1	0	sulfoxide
pyrroles	[no description available]	medium	22	0	pyrrole; secondary amine
lead	[no description available]	medium	5	0	carbon group element atom; elemental lead; metal atom	neurotoxin
thiouridine	[no description available]	medium	6	0	nucleoside analogue; thiouridine	affinity label; antimetabolite
2-thioribothymidine	[no description available]	medium	1	0	thiouridine
2-thiouridine	[no description available]	medium	1	0	nucleoside analogue; thiouridine
2-aminoisobutyric acid	[no description available]	medium	1	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
nitrogen dioxide	[no description available]	medium	1	0	nitrogen oxide
coenzyme a	[no description available]	medium	114	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
tiglyl-coenzyme a	[no description available]	medium	3	0	2-enoyl-CoA; monounsaturated fatty acyl-CoA
alpha-synuclein	[no description available]	medium	4	0
mercury	[no description available]	medium	3	0	elemental mercury; zinc group element atom	neurotoxin
histamine	[no description available]	medium	8	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
naphthalimides	[no description available]	medium	3	0
phenylalanine	[no description available]	medium	27	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
myelin basic protein	[no description available]	medium	13	0
ethyl hexanoate	[no description available]	medium	2	0	fatty acid ethyl ester; hexanoate ester	metabolite
isoamyl acetate	[no description available]	medium	1	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
1,7-phenanthroline	[no description available]	medium	16	0	phenanthroline
prizes	[no description available]	medium	1	0	carboxamidine; monochloropyridine; nitrile	environmental contaminant; neonicotinoid insectide; xenobiotic
cysteinesulfenic acid	[no description available]	medium	3	0	L-cysteine derivative; non-proteinogenic L-alpha-amino acid
cytosine	[no description available]	medium	18	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fluorescein	[no description available]	medium	102	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
diazinon	[no description available]	medium	1	0	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
beta-hydroxyisovaleric acid	[no description available]	medium	37	0	3-hydroxy monocarboxylic acid	human metabolite
beta-hydroxyisovaleric acid	[no description available]	medium	37	3	3-hydroxy monocarboxylic acid	human metabolite
valerates	[no description available]	medium	48	3	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
sofosbuvir	[no description available]	medium	1	0	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite
fluorescein-5-isothiocyanate	[no description available]	medium	142	0	fluorescein isothiocyanate
resveratrol	[no description available]	medium	3	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
heme	[no description available]	medium	18	0
alpha-hydroxyglutarate	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
nad	[no description available]	medium	49	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
thiamine pyrophosphate	[no description available]	medium	10	0	organic chloride salt; vitamin B1
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
kynurenine	[no description available]	medium	2	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
cadmium	[no description available]	medium	9	0	cadmium molecular entity; zinc group element atom
manganese	[no description available]	medium	37	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
2-iminobiotin	[no description available]	medium	43	2
calixarenes	[no description available]	medium	4	0
calix(4)arene	[no description available]	medium	3	0
deoxyuridine	[no description available]	medium	4	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sybr green ii	[no description available]	medium	1	0
1,2-oleoylphosphatidylcholine	[no description available]	medium	15	0	phosphatidylcholine(1+)
1,2-dioleoyloxy-3-(trimethylammonium)propane	[no description available]	medium	1	0
distearoyl phosphatidylglycerol	[no description available]	medium	1	0	phosphatidylglycerol
1,2-dioleoyl-sn-glycero-3-phosphoglycerol	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)
phosphatidylcholines	[no description available]	medium	52	0	1,2-diacyl-sn-glycero-3-phosphocholine
1,2-dipalmitoylphosphatidylcholine	[no description available]	medium	7	0
phthalimide	[no description available]	medium	2	0	phthalimides
styrene	[no description available]	medium	2	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
catechin	[no description available]	medium	2	0	catechin	antioxidant; plant metabolite
3-hydroxybutyric acid	[no description available]	medium	6	1	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
phycocyanobilin	[no description available]	medium	1	0
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
pf 00299804	[no description available]	medium	1	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
proanthocyanidin	[no description available]	medium	1	0
procyanidin	[no description available]	medium	1	0	proanthocyanidin
fluorides	[no description available]	medium	10	0	halide anion; monoatomic fluorine
methylacetylene	[no description available]	medium	1	0	alkyne; gas molecular entity; terminal acetylenic compound
homoserine	[no description available]	medium	2	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
4-thiouracil	[no description available]	medium	2	0
thiouracil	[no description available]	medium	2	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
phthalocyanine	[no description available]	medium	4	0	phthalocyanines; tetrapyrrole fundamental parent
5-(biotinamido)pentylamine	[no description available]	medium	35	0
aluminum	[no description available]	medium	7	0	boron group element atom; elemental aluminium; metal atom
abscisic acid	[no description available]	medium	5	0	2-trans-abscisic acid
3,3'-dithiobis(sulfosuccinimidyl propionate)	[no description available]	medium	1	0
carbocyanines	[no description available]	medium	91	0	cyanine dye; organic iodide salt	fluorochrome
carbon monoxide	[no description available]	medium	5	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
kainic acid	[no description available]	medium	7	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid	[no description available]	medium	15	0	azamacrocycle	chelator; copper chelator
1,4,7-triazacyclononane-n,n',n''-triacetic acid	[no description available]	medium	1	0
betadex	[no description available]	medium	14	1	cyclodextrin
sybr green i	[no description available]	medium	8	0	benzothiazolium ion; cyanine dye; quinolines; tertiary amine	fluorescent dye
dioleoyl phosphatidylethanolamine	[no description available]	medium	2	0	phosphatidylethanolamine
piperidines	[no description available]	medium	10	0
yil 781	[no description available]	medium	1	0
3,3',5,5'-tetramethylbenzidine	[no description available]	medium	13	0
berberine	[no description available]	medium	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
lucifer yellow	[no description available]	medium	73	0	organic lithium salt	fluorochrome
cellulose	[no description available]	medium	24	0	glycoside
thrombin aptamer	[no description available]	medium	7	0
amiclenomycin	[no description available]	medium	5	0
acetylgalactosamine	[no description available]	medium	11	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
n-hydroxysuccinimide	[no description available]	medium	20	0
iodoacetamide	[no description available]	medium	13	0
biotin hydrazide	[no description available]	medium	43	0
zearalenone	[no description available]	medium	3	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
caffeine citrate	[no description available]	medium	1	0
finasteride	[no description available]	medium	2	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
guanosine monophosphate	[no description available]	medium	4	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
2-anilinonaphthalene-6-sulfonic acid	[no description available]	medium	4	0
carbodiimides	[no description available]	medium	18	0	carbodiimide
c-peptide	[no description available]	medium	1	0
sodium citrate, anhydrous	[no description available]	medium	1	0	organic sodium salt	anticoagulant; flavouring agent
silver nitrate	[no description available]	medium	3	0	inorganic nitrate salt; silver salt	astringent
victoria blue b	[no description available]	medium	1	0	iminium salt; organic chloride salt	fluorochrome; histological dye
cadmium sulfide	[no description available]	medium	6	0	cadmium molecular entity
thioctic acid	[no description available]	medium	66	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
dihydrolipoic acid	[no description available]	medium	3	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
ecdysone	[no description available]	medium	3	0	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
ecdysterone	[no description available]	medium	1	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
fibrinogen	[no description available]	medium	27	0	iditol	fungal metabolite
pyrithione	[no description available]	medium	1	0	monohydroxypyridine; pyridinethione	ionophore
tannins	[no description available]	medium	2	0
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
fumonisin b1	[no description available]	medium	2	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
tetraphenylporphine	[no description available]	medium	2	0
biotinyltyramide	[no description available]	medium	60	1
ectoine	[no description available]	medium	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; monocarboxylic acid; zwitterion	osmolyte
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
diazomethane	[no description available]	medium	14	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
geranyl pyrophosphate	[no description available]	medium	1	0	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
vitamin b 6	[no description available]	medium	31	1
3-hydroxybutanal	[no description available]	medium	1	0
pyrrolidine	[no description available]	medium	1	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
4-nitrobenzaldehyde	[no description available]	medium	2	0	benzaldehydes; C-nitro compound
acetone	[no description available]	medium	6	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ponceau s	[no description available]	medium	2	0	organic sodium salt; organosulfonate salt	fluorochrome; histological dye
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
n-acryloyl-tris(hydroxymethyl)aminomethane	[no description available]	medium	1	0
edetic acid	[no description available]	medium	27	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
organophosphonates	[no description available]	medium	6	0	divalent inorganic anion; phosphite ion
sepharose	[no description available]	medium	88	0
d-biotin-d-sulfoxide	[no description available]	medium	18	0	biotins; sulfoxide	metabolite
celastrol	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
s-adenosylmethionine	[no description available]	medium	26	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
ovalbumin	[no description available]	medium	205	0
bromodeoxyuridine	[no description available]	medium	29	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
thymidine	[no description available]	medium	16	1	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
chlorpyrifos	[no description available]	medium	4	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
phenylsaligenin cyclic phosphate	[no description available]	medium	1	0
o,o-diethyl o-3,5,6-trichloro-2-pyridyl phosphate	[no description available]	medium	3	0
biotinyl-6-aminocaproic acid n-hydroxysuccinimide ester	[no description available]	medium	10	0
cyanine dye 3	[no description available]	medium	26	0
fluorine	[no description available]	medium	5	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
titanium dioxide	[no description available]	medium	7	0	titanium oxides	food colouring
vitamin b 12	[no description available]	medium	151	0
beta-escin	[no description available]	medium	6	0
chrysin	[no description available]	medium	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
succinyl-coenzyme a	[no description available]	medium	1	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
glutaryl-coenzyme a	[no description available]	medium	4	0	glutaryl-CoAs	mouse metabolite
alpha-ketoadipic acid	[no description available]	medium	1	0	oxo dicarboxylic acid	human urinary metabolite; mouse metabolite
aluminum oxide	[no description available]	medium	5	0
carbonates	[no description available]	medium	9	0	carbon oxoanion
mannose	[no description available]	medium	23	0	D-aldohexose; D-mannose; mannopyranose	metabolite
gadolinium	[no description available]	medium	13	0	f-block element atom; lanthanoid atom
diethylenetriamine	[no description available]	medium	2	0	polyazaalkane; triamine
trioxsalen	[no description available]	medium	2	0	psoralens	dermatologic drug; photosensitizing agent
fullerene c60	[no description available]	medium	4	0	fullerene	geroprotector
phenoxy radical	[no description available]	medium	1	0	organic radical
epidermal growth factor	[no description available]	medium	43	0
neuropeptide y	[no description available]	medium	18	0
fluoroacetyl-coenzyme a	[no description available]	medium	1	0	haloacyl-CoA
5-carboxytetramethylrhodamine succinimidyl ester	[no description available]	medium	4	0
indium	[no description available]	medium	3	0	boron group element atom
indium trichloride	[no description available]	medium	1	0
indium	[no description available]	medium	2	0
sulfur dioxide	[no description available]	medium	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
pyridoxal	[no description available]	medium	8	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
n-acetylneuraminic acid	[no description available]	medium	16	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
aminolevulinic acid	[no description available]	medium	2	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
protoporphyrin ix	[no description available]	medium	2	0
sodium dodecyl sulfate	[no description available]	medium	25	0	organic sodium salt	detergent; protein denaturant
propidium	[no description available]	medium	5	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
propidium monoazide	[no description available]	medium	1	0
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene	[no description available]	medium	10	0	BODIPY compound
ornithine	[no description available]	medium	9	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
bisnorbiotin	[no description available]	medium	23	1	heterocyclic fatty acid
histidine	[no description available]	medium	60	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
morpholine	[no description available]	medium	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
osmium	[no description available]	medium	1	0	iron group element atom; platinum group metal atom
maleimide	[no description available]	medium	40	0	dicarboximide; maleimides	EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
adhesamine	[no description available]	medium	1	0
fluorexon	[no description available]	medium	4	0	xanthene dye	fluorochrome
colfosceril palmitate	[no description available]	medium	1	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0	mouse metabolite; surfactant
cytochrome c-t	[no description available]	medium	12	0
1,2-dipalmitoylphosphatidylglycerol	[no description available]	medium	2	0	phosphatidylglycerol
acetoacetic acid	[no description available]	medium	6	0	3-oxo fatty acid; ketone body	metabolite
3-nitrotyrosine	[no description available]	medium	8	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
4-hydroxy-2-nonenal	[no description available]	medium	5	0	4-hydroxynon-2-enal; 4-hydroxynonenal
acetovanillone	[no description available]	medium	2	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
hydroxide ion	[no description available]	medium	2	0	oxygen hydride	mouse metabolite
tyrosine	[no description available]	medium	1	0	alpha-amino-acid radical
3-n-butylphthalide	[no description available]	medium	1	0	benzofurans
endothelin-1	[no description available]	medium	5	0
benzofurans	[no description available]	medium	4	0
stannic oxide	[no description available]	medium	5	0	tin oxide
nitrilotriacetic acid	[no description available]	medium	12	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
nickel nitrilotriacetic acid	[no description available]	medium	2	0
tetrodotoxin	[no description available]	medium	19	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
cerium	[no description available]	medium	2	0	f-block element atom; lanthanoid atom
anisole	[no description available]	medium	1	0	monomethoxybenzene	plant metabolite
phosphorus radioisotopes	[no description available]	medium	45	0
alizarin	[no description available]	medium	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
palmitic acid	[no description available]	medium	11	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
glucuronic acid	[no description available]	medium	6	0	D-glucuronic acid	algal metabolite
(e)-4-hydroxy-3-methylbut-2-enyl diphosphate	[no description available]	medium	1	0	prenol phosphate	epitope; Escherichia coli metabolite; phosphoantigen
elastin	[no description available]	medium	3	0	oligopeptide
beauverolides	[no description available]	medium	2	0
gadolinium 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate	[no description available]	medium	2	0
2',3'-dideoxyuridine-5'-triphosphate	[no description available]	medium	1	0
s-adenosylmethionine	[no description available]	medium	5	0	sulfonium betaine	human metabolite
s-adenosylmethionine	[no description available]	medium	5	1	sulfonium betaine	human metabolite
picric acid	[no description available]	medium	1	0	C-nitro compound	antiseptic drug; explosive; fixative
methoxyamine	[no description available]	medium	2	0	organooxygen compound
mocetinostat	[no description available]	medium	62	1	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
guanidine thiocyanate	[no description available]	medium	1	0
cyclosporine	[no description available]	medium	7	1
zinc methionine	[no description available]	medium	2	2
thiazole orange	[no description available]	medium	5	0	cyanine dye	fluorochrome
pentetic acid	[no description available]	medium	32	1	pentacarboxylic acid	copper chelator
gadolinium dtpa	[no description available]	medium	8	0	gadolinium coordination entity	MRI contrast agent
n-methyladenosine	[no description available]	medium	2	0	methyladenosine
potassium cyanide	[no description available]	medium	2	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
cycloheximide	[no description available]	medium	22	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
anisomycin	[no description available]	medium	1	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
3,3'-diaminobenzidine	[no description available]	medium	30	1	biphenyls; substituted aniline	histological dye
tetramethylrhodamine	[no description available]	medium	14	0	xanthene dye
dithiothreitol	[no description available]	medium	21	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
heparitin sulfate	[no description available]	medium	13	0
myristyl alcohol	[no description available]	medium	1	0	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component
biotin tyramine	[no description available]	medium	5	0
octopamine	[no description available]	medium	2	0	phenylethanolamines; tyramines	neurotransmitter
glycogen	[no description available]	medium	12	0
glucagon	[no description available]	medium	13	0	peptide hormone
cgp 52432	[no description available]	medium	2	0	dichlorobenzene
natriuretic peptide, brain	[no description available]	medium	6	0	polypeptide
biocytin	[no description available]	medium	114	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
pimeloyl-coenzyme a	[no description available]	medium	15	0	omega-carboxyacyl-CoA	metabolite
cyclic gmp	[no description available]	medium	22	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
glycosides	[no description available]	medium	14	0
fondaparinux	[no description available]	medium	6	1	amino sugar; oligosaccharide sulfate; pentasaccharide derivative	anticoagulant
sanorg 34006	[no description available]	medium	9	2
idrabiotaparinux	[no description available]	medium	16	5
carbidopa	[no description available]	medium	1	0
carbidopa, levodopa drug combination	[no description available]	medium	1	0
acetylglucosamine	[no description available]	medium	21	0	N-acetyl-D-glucosamine	epitope
4-aminopiperidine	[no description available]	medium	1	0
zd 7288	[no description available]	medium	3	0
cardiovascular agents	[no description available]	medium	1	0
rhenium	[no description available]	medium	10	1	manganese group element atom
fluorophosphate	[no description available]	medium	1	0	fluorine molecular entity; phosphoric acid derivative
alizarin red s	[no description available]	medium	2	0	organic sodium salt; organosulfonate salt	histological dye
hydrogen sulfite	[no description available]	medium	2	0	sulfur oxoanion	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sulfites	[no description available]	medium	7	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
1-anilino-8-naphthalenesulfonate	[no description available]	medium	10	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
titanium nitride (tin)	[no description available]	medium	1	0
glycyl-arginyl-glycyl-aspartyl-serine	[no description available]	medium	1	0
bismuth	[no description available]	medium	6	0	metal atom; pnictogen
molybdenum disulfide	[no description available]	medium	2	0	sulfide salt
vanadates	[no description available]	medium	4	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
bismuth orthovanadate	[no description available]	medium	1	0
aflatoxin b	[no description available]	medium	1	0	aflatoxin
cadmium chloride	[no description available]	medium	2	0	cadmium coordination entity
oxidopamine	[no description available]	medium	5	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
dimyristoylphosphatidylglycerol	[no description available]	medium	2	0
monensin	[no description available]	medium	6	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
limestone	[no description available]	medium	7	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
phenyl acetate	[no description available]	medium	67	0	benzenes; phenyl acetates
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
iodouracil	[no description available]	medium	1	0
concanavalin a	[no description available]	medium	45	0
acetylcarnitine	[no description available]	medium	4	0	O-acylcarnitine	human metabolite
ubiquinone	[no description available]	medium	11	0
yttrium radioisotopes	[no description available]	medium	32	10
pyrrolysine	[no description available]	medium	1	0	amino acid zwitterion; N(6)-acyl-L-lysine; proteinogenic amino acid; pyrrolysine
quadricyclane	[no description available]	medium	1	0
haba	[no description available]	medium	18	0
perylenediimide	[no description available]	medium	2	0	dicarboximide; organic heteropolycyclic compound	fluorochrome
1,2-dielaidoylphosphatidylethanolamine	[no description available]	medium	4	0
n-tert-butylhydroxylamine	[no description available]	medium	1	0
2'-deoxyadenosine	[no description available]	medium	2	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
oxaloacetic acid	[no description available]	medium	5	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
oxantel pamoate	[no description available]	medium	1	0	naphthoic acid
pyrantel pamoate	[no description available]	medium	1	0	organic molecular entity
dextrothyroxine	[no description available]	medium	2	0
tribendimidine	[no description available]	medium	1	0
biotinyl n-hydroxysuccinimide ester	[no description available]	medium	51	0
4-chloro-7-nitrobenzofurazan	[no description available]	medium	1	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
1-palmitoyl-2-(12-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)dodecanoyl)phosphatidylcholine	[no description available]	medium	1	0
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
glycolic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
phenanthrenes	[no description available]	medium	4	0
palladium	[no description available]	medium	10	0	metal allergen; nickel group element atom; platinum group metal atom
copper gluconate	[no description available]	medium	4	0	organic molecular entity
gluconic acid	[no description available]	medium	2	0	gluconic acid	chelator; Penicillium metabolite
glycylhistidine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	metabolite
phalloidine	[no description available]	medium	13	0	homodetic cyclic peptide
glucose, (beta-d)-isomer	[no description available]	medium	6	0	D-glucopyranose	epitope; mouse metabolite
protocatechuic acid	[no description available]	medium	3	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
kaempferol	[no description available]	medium	2	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
quercitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
chromium histidinate	[no description available]	medium	1	0
9-mercaptodethiobiotin	[no description available]	medium	6	0	imidazolidinone; monocarboxylic acid; thiol; ureas	Escherichia coli metabolite
zinc sulfate	[no description available]	medium	1	0	metal sulfate; zinc molecular entity	fertilizer
taurine	[no description available]	medium	4	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
beta-alanine	[no description available]	medium	3	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
st 1481	[no description available]	medium	1	0
galactose	[no description available]	medium	29	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
peroxynitrous acid	[no description available]	medium	4	0	nitrogen oxoacid
linsidomine	[no description available]	medium	1	0	morpholines
tetradecanoylphorbol acetate	[no description available]	medium	15	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
glycerophosphoinositol 4,5-bisphosphate	[no description available]	medium	3	0
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	3	0	tripeptide
dapi	[no description available]	medium	22	0	indoles	fluorochrome
mechlorethamine	[no description available]	medium	3	0	nitrogen mustard; organochlorine compound	alkylating agent
lactobionic acid	[no description available]	medium	1	0	disaccharide	antioxidant
5-ethynyl-2'-deoxyuridine	[no description available]	medium	2	0
n-(2-hydroxypropyl)methacrylamide	[no description available]	medium	3	0
5-bromouridine	[no description available]	medium	1	0	uridines	mutagen
eniluracil	[no description available]	medium	1	0	pyrimidone
rhodamine b	[no description available]	medium	5	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
mycobacidin	[no description available]	medium	9	0
thiazolidines	[no description available]	medium	12	0	thiazolidine
thiocyanate	[no description available]	medium	1	0	pseudohalide anion; sulfur molecular entity	human metabolite
glycidyl methacrylate	[no description available]	medium	2	0	enoate ester; epoxide
artemisinin	[no description available]	medium	2	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
4-mercaptobenzoate	[no description available]	medium	1	0
pyrimidine dimers	[no description available]	medium	5	0
nephrin	[no description available]	medium	1	0
kemptide	[no description available]	medium	1	0
rtki cpd	[no description available]	medium	2	0
quinazolines	[no description available]	medium	8	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
losartan potassium	[no description available]	medium	14	0
lactamide	[no description available]	medium	1	0	monocarboxylic acid amide; secondary alcohol
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
homocysteine	[no description available]	medium	7	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
triiodothyronine	[no description available]	medium	1	0	tetrahydrothiophenes; thiolactone	human metabolite
sulfur	[no description available]	medium	46	0	chalcogen; nonmetal atom	macronutrient
orabase	[no description available]	medium	2	0
boron	[no description available]	medium	4	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
fluorosulfonic acid	[no description available]	medium	1	0	sulfur oxoacid	NMR solvent
1,2-diphytanoylphosphatidylcholine	[no description available]	medium	1	0
Harringtonine	[no description available]	medium	1	0	alkaloid
pyridine-2-carboxaldehyde	[no description available]	medium	1	0	pyridinecarbaldehyde
guanine	[no description available]	medium	10	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
8-hydroxyguanine	[no description available]	medium	2	0	oxopurine
aminoflavone	[no description available]	medium	1	0
nutlin-3a	[no description available]	medium	1	0	stilbenoid
nile red	[no description available]	medium	2	0	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye
tetramethylrhodamine isothiocyanate	[no description available]	medium	6	0
n-(4-(7-(diethylamino)-4-methylcoumarin-3-yl))maleimide	[no description available]	medium	1	0
glucagon-like peptide 1	[no description available]	medium	4	0
cobalt	[no description available]	medium	22	0	cobalt group element atom; metal allergen	micronutrient
laponite	[no description available]	medium	1	0
n1'-carboxybiotin	[no description available]	medium	17	0
dimethylsulfonioacetate	[no description available]	medium	1	0	sulfonium betaine
phosphorylcholine	[no description available]	medium	6	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
biotinamide	[no description available]	high	22	0	biotins; monocarboxylic acid amide	human metabolite
tryptophanhydroxamate	[no description available]	medium	1	0
acrylic acid	[no description available]	medium	13	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
fmrfamide	[no description available]	medium	4	0
hydroxylamine	[no description available]	medium	8	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
deoxycytidine	[no description available]	medium	5	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
coumarin	[no description available]	medium	4	0	coumarins	fluorescent dye; human metabolite; plant metabolite
gemcitabine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
beta-endorphin	[no description available]	medium	9	0
leptin	[no description available]	medium	5	0
lactoferrin	[no description available]	medium	13	0
rhodium	[no description available]	medium	9	0	cobalt group element atom
dabigatran	[no description available]	medium	4	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
rivaroxaban	[no description available]	medium	3	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
thiazoles	[no description available]	medium	30	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
apixaban	[no description available]	medium	4	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban	[no description available]	medium	3	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
ethylene diurea	[no description available]	medium	1	0
kiss1 protein, human	[no description available]	medium	1	0
zirconium	[no description available]	medium	1	0	titanium group element atom
3,4-dihydroxyphenylglycol	[no description available]	medium	1	0	catechols; tetrol	metabolite; mouse metabolite
fg 9041	[no description available]	medium	6	0	quinoxaline derivative
methoxyhydroxyphenylglycol	[no description available]	medium	1	0	methoxybenzenes; phenols
bicuculline methiodide	[no description available]	medium	3	0
bicuculline	[no description available]	medium	16	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
quinoxalines	[no description available]	medium	12	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
ezogabine	[no description available]	medium	1	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
nitroaniline	[no description available]	medium	1	0
s-nitroso-n-acetylpenicillamine	[no description available]	medium	5	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
carbamates	[no description available]	medium	16	0	amino-acid anion
xe 991, anthracenone	[no description available]	medium	1	0	anthracenes
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole	[no description available]	medium	1	0	benzoic acid; imidazolines; organic radical	apoptosis inhibitor; radical scavenger
methyl methanethiosulfonate	[no description available]	medium	2	0	sulfonic acid derivative; thiosulfonate ester	metabolite
methyl methanesulfonate	[no description available]	medium	6	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
methanethiosulfonate	[no description available]	medium	6	0
arginyl-glycyl-aspartic acid	[no description available]	medium	20	0	oligopeptide
1,3-bis(bis(pyridin-2-ylmethyl)amino)propan-2-ol	[no description available]	medium	3	0
indolebutyric acid	[no description available]	medium	2	0	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
sk&f 81297	[no description available]	medium	1	0	benzazepine
2,10,11-trihydroxy-n-n-propylnoraporphine	[no description available]	medium	1	0
cyclen	[no description available]	medium	2	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
substance p	[no description available]	medium	23	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
terbium	[no description available]	medium	8	0	f-block element atom; lanthanoid atom
mannosamine	[no description available]	medium	3	0	D-mannosamine
sr 95531	[no description available]	medium	4	0	methoxybenzenes
naratriptan	[no description available]	medium	1	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
stilbenes	[no description available]	medium	4	0	stilbene
decanoic acid	[no description available]	medium	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
1-ethynylpyrene	[no description available]	medium	2	0
epoxomicin	[no description available]	medium	1	0	morpholines; tripeptide	proteasome inhibitor
carbamylhydrazine	[no description available]	medium	1	0	carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas
n-biotinoyl-n'-iodoacetylethylenediamine	[no description available]	medium	6	0
toxin ii (anemonia sulcata)	[no description available]	medium	1	0
selenomethionine	[no description available]	medium	1	0	selenoamino acid; selenomethionines	plant metabolite
methanol	[no description available]	medium	14	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
go 6976	[no description available]	medium	1	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
dalteparin	[no description available]	medium	3	2
paxilline	[no description available]	medium	1	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker
erythritol	[no description available]	medium	2	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
maculosin	[no description available]	medium	1	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
2-c-methylerythritol 4-phosphate	[no description available]	medium	1	0	tetritol phosphate	Escherichia coli metabolite
thapsigargin	[no description available]	medium	2	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
agar	[no description available]	medium	10	0
carbene	[no description available]	medium	3	0	carbene; methanediyl
phenylnitrene	[no description available]	medium	1	0
deuterium oxide	[no description available]	medium	1	0	deuterated compound; water	NMR solvent
2-chlorotrityl chloride	[no description available]	medium	1	0
malic acid	[no description available]	medium	3	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
fumaric acid	[no description available]	medium	1	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
fumarates	[no description available]	medium	3	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
luminol	[no description available]	medium	20	0
indium arsenide	[no description available]	medium	1	0
pyocyanine	[no description available]	medium	1	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
phosphoramidite	[no description available]	medium	6	0
e 64	[no description available]	medium	3	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
leucine	[no description available]	medium	51	1	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
s-nitrosocysteine	[no description available]	medium	10	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
carnosine	[no description available]	medium	1	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
n-biotinylaminoethyl methanethiosulfonate	[no description available]	medium	10	0
glutaric acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
asparagine	[no description available]	medium	20	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
bathocuproine	[no description available]	medium	1	0
thiophene-3-boronic acid	[no description available]	medium	1	0
dimyristoylphosphatidylcholine	[no description available]	medium	8	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
silicon nitride	[no description available]	medium	7	0
palmitoyl chloride	[no description available]	medium	1	0
ethylenediamine	[no description available]	medium	6	0	alkane-alpha,omega-diamine	GABA agonist
sulfosuccinimidyl-2-(biotinamido)ethyl-1,3-dithiopropionate	[no description available]	medium	6	0
bisphenol a	[no description available]	medium	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
choline	[no description available]	medium	52	1	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
tetrabromobisphenol a	[no description available]	medium	1	0	brominated flame retardant; bromobisphenol
hepes	[no description available]	medium	2	0	HEPES; organosulfonic acid
lycopene	[no description available]	medium	1	0	acyclic carotene	antioxidant; plant metabolite
succinic acid	[no description available]	medium	10	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
mafenide	[no description available]	medium	1	0	aromatic amine
oseltamivir	[no description available]	medium	2	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
selenium	[no description available]	medium	18	0	chalcogen; nonmetal atom	micronutrient
5-fluorotryptophan	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative
6-fluorotryptophan	[no description available]	medium	1	0	indolyl carboxylic acid
n-methylaspartate	[no description available]	medium	13	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
urethane	[no description available]	medium	3	0	carbamate ester	fungal metabolite; mutagen
thymine	[no description available]	medium	4	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
n,n'-methylenebisacrylamide	[no description available]	medium	1	0
benzophenone	[no description available]	medium	7	0	benzophenones	photosensitizing agent; plant metabolite
biotin methyl ester	[no description available]	medium	4	0
c.i. 42510	[no description available]	medium	7	0
coomassie brilliant blue	[no description available]	medium	3	0
thymosin beta(4)	[no description available]	medium	1	0
thymosin	[no description available]	medium	2	0
erlotinib hydrochloride	[no description available]	medium	1	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
thulium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
yttrium	[no description available]	medium	3	0	d-block element atom; rare earth metal atom; scandium group element atom
ytterbium	[no description available]	medium	3	0	f-block element atom; lanthanoid atom
n-methylisatoic anhydride	[no description available]	medium	1	0	benzoxazine
2-azahypoxanthine	[no description available]	medium	1	0
sulfuryl fluoride	[no description available]	medium	1	0	sulfuryl halide	fumigant insecticide
tellurium	[no description available]	medium	7	0	chalcogen; metalloid atom
cadmium telluride	[no description available]	medium	5	0
diadenosine tetraphosphate	[no description available]	medium	3	0	diadenosyl tetraphosphate	Escherichia coli metabolite; mouse metabolite
spliceosomal peptide p140	[no description available]	medium	1	0
guanosine triphosphate	[no description available]	medium	17	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine diphosphate	[no description available]	medium	6	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
lysophosphatidylcholines	[no description available]	medium	5	0	1-O-acyl-sn-glycero-3-phosphocholine
lead sulfide	[no description available]	medium	1	0
4-mercaptophenylboronic acid	[no description available]	medium	1	0
tris(2,3-dibromopropyl)isocyanurate	[no description available]	medium	1	0
ferrous chloride	[no description available]	medium	1	0	iron coordination entity
deoxyguanosine	[no description available]	medium	8	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	4	0	guanosines	biomarker
n-(1-(2,3-dioleyloxy)propyl)-n,n,n-trimethylammonium chloride	[no description available]	medium	1	0
dichlorvos	[no description available]	medium	2	0	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
h 89	[no description available]	medium	1	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
malonyl coenzyme a	[no description available]	medium	12	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	3	0
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	12	0	quinoxaline derivative
macrosphelide a	[no description available]	medium	1	0
3-hydroxyisovalerylcarnitine	[no description available]	medium	10	0	O-acylcarnitine	human metabolite
3-hydroxyisovalerylcarnitine	[no description available]	medium	10	2	O-acylcarnitine	human metabolite
alpha-chymotrypsin	[no description available]	medium	24	0
oxamic acid	[no description available]	medium	2	0	dicarboxylic acid monoamide	Escherichia coli metabolite
cholesterol alpha-oxide	[no description available]	medium	1	0	3beta-hydroxy steroid; epoxy steroid; oxysterol
azidohomoalanine	[no description available]	medium	3	0
strontium	[no description available]	medium	1	0	alkaline earth metal atom
n-hexadecane	[no description available]	medium	1	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
magnesium sulfate	[no description available]	medium	6	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
potassium chloride	[no description available]	medium	13	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
2-naphthylamine	[no description available]	medium	2	0	naphthylamine	carcinogenic agent
vasoactive intestinal peptide	[no description available]	medium	11	0
texas red	[no description available]	medium	16	0	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	19	0	xanthene
dimethyl phthalate	[no description available]	medium	1	0	diester; methyl ester; phthalate ester
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	3	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
7-keto-8-aminopelargonic acid	[no description available]	medium	13	0	7-oxo monocarboxylic acid; amino acid zwitterion; amino acid	Saccharomyces cerevisiae metabolite
osw 1	[no description available]	medium	2	0
propionylcarnitine	[no description available]	medium	2	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
ficusin	[no description available]	medium	7	0	psoralens	plant metabolite
gamma-glycidoxypropyltrimethoxysilane	[no description available]	medium	1	0
oridonin	[no description available]	medium	1	0
allatostatin 1	[no description available]	medium	2	0
allatotropin	[no description available]	medium	1	0
zinc chloride	[no description available]	medium	2	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
copper sulfate	[no description available]	medium	1	0	metal sulfate	emetic; fertilizer; sensitiser
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
chlorine	[no description available]	medium	17	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
amyloid beta-peptides	[no description available]	medium	2	0
technetium	[no description available]	medium	17	0	manganese group element atom
1-palmitoyl-2-oleoylphosphatidylcholine	[no description available]	medium	6	0
1-palmitoyl-2-oleoylglycero-3-phosphoserine	[no description available]	medium	1	0	3-sn-phosphatidyl-L-serine
isatoic anhydride	[no description available]	medium	1	0
pyridine	[no description available]	medium	6	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
15-deoxy-delta(12,14)-prostaglandin j2	[no description available]	medium	1	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
prostaglandin d2	[no description available]	medium	2	0	prostaglandins D	human metabolite; mouse metabolite
4-cyano-4'-pentylbiphenyl	[no description available]	medium	3	0
dimedone	[no description available]	medium	4	0
tiletamine hydrochloride	[no description available]	medium	6	0
1,2-dipalmitoyl-3-phosphatidylethanolamine	[no description available]	medium	8	0
cyanoacetic acid	[no description available]	medium	1	0	monocarboxylic acid
sodium sulfide	[no description available]	medium	5	0
methylsulfonyl benzothiazole	[no description available]	medium	1	0
neocuproine	[no description available]	medium	1	0	phenanthrolines	chelator; copper chelator
gyy 4137	[no description available]	medium	1	0	organic molecular entity
tetraphenylborate	[no description available]	medium	1	0
acetylene	[no description available]	medium	4	0	alkyne; gas molecular entity; terminal acetylenic compound
beta-lactams	[no description available]	medium	2	0	beta-lactam antibiotic allergen; beta-lactam
hydroxyl radical	[no description available]	medium	3	0	oxygen hydride; oxygen radical; reactive oxygen species
dichlororibofuranosylbenzimidazole	[no description available]	medium	2	0
deoxyuridine triphosphate	[no description available]	medium	25	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite
benzeneboronic acid	[no description available]	medium	1	0	boronic acids
Alexa Fluor 555	[no description available]	medium	1	0	xanthenes	fluorochrome
atto655	[no description available]	medium	1	0
iodine	[no description available]	medium	4	0	halide anion; monoatomic iodine	human metabolite
1,2-naphthoquinone	[no description available]	medium	1	0	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
1,4-naphthoquinone	[no description available]	medium	2	0	1,4-naphthoquinones
methylene blue	[no description available]	medium	5	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
phosphonoacetamide	[no description available]	medium	1	0
hydrogen carbonate	[no description available]	medium	49	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5'-adenylyl (beta,gamma-methylene)diphosphonate	[no description available]	medium	1	0	nucleoside triphosphate analogue
tricalcium phosphate	[no description available]	medium	8	0	calcium phosphate
imidacloprid	[no description available]	medium	1	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
8-azidoadenosine 5'-triphosphate	[no description available]	medium	1	0
trientine	[no description available]	medium	1	0	polyazaalkane; tetramine	copper chelator
aspartic acid	[no description available]	medium	61	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
entecavir	[no description available]	medium	1	0	benzamides; N-acylpiperidine
n-(6-(biotinamido)hexyl)-3'-(2'-pyridyldithio)propionamide	[no description available]	medium	5	0
deanol	[no description available]	medium	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
bisabolol	[no description available]	medium	1	0
sesquiterpenes	[no description available]	medium	7	0
benzoylphenylalanine	[no description available]	medium	6	0	2-(benzoylamino)-3-phenylpropanoic acid; N-acyl-L-phenylalanine
bicyclo(2.2.2)octane	[no description available]	medium	1	0
gibberellins	[no description available]	medium	3	0
lupane	[no description available]	medium	1	0
triethylene glycol	[no description available]	medium	4	0	diol; poly(ethylene glycol); primary alcohol	plasticiser
digitonin	[no description available]	medium	4	0
arsenic trioxide	[no description available]	medium	1	0
xanthurenic acid	[no description available]	medium	1	0	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
tartronic acid	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite
xanthine	[no description available]	medium	2	0	xanthine	Saccharomyces cerevisiae metabolite
hydracrylic acid	[no description available]	medium	7	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
hydracrylic acid	[no description available]	medium	7	1	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
isopropyl thiogalactoside	[no description available]	medium	3	0	S-glycosyl compound
tubercidin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
monomethyl auristatin e	[no description available]	medium	2	0
win 18446	[no description available]	medium	1	0	organochlorine compound; secondary carboxamide	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
sphingosine	[no description available]	medium	4	0	sphing-4-enine	human metabolite; mouse metabolite
pirlimycin	[no description available]	medium	1	0
1-palmitoyl-2-linoleoylphosphatidylcholine	[no description available]	medium	1	0
silvestrol	[no description available]	medium	1	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
dithionite	[no description available]	medium	3	0	sulfur oxide; sulfur oxoanion
3-aminobenzeneboronic acid	[no description available]	medium	2	0
1-butanol	[no description available]	medium	2	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
hexafluorobenzene	[no description available]	medium	1	0	fluorobenzenes; fluorocarbon	NMR chemical shift reference compound
simethicone	[no description available]	medium	1	0
lysyllysine	[no description available]	medium	1	0	dipeptide	Mycoplasma genitalium metabolite
casein kinase ii	[no description available]	medium	3	0
gusperimus	[no description available]	medium	1	0	N-acyl-amino acid
filipin	[no description available]	medium	1	0
cytochalasin d	[no description available]	medium	6	0
ammonium chloride	[no description available]	medium	11	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
echinocandin b	[no description available]	medium	1	0
6-(n-(4-aminobutyl)-n-ethyl)amino-2,3-dihydrophthalazine-1,4-dione	[no description available]	medium	3	0	phthalazines
nadp	[no description available]	medium	22	0
aminoacetonitrile	[no description available]	medium	1	0
tris(2-carboxyethyl)phosphine	[no description available]	medium	3	0	phosphine derivative; tricarboxylic acid	reducing agent
dodecylamine	[no description available]	medium	1	0	primary aliphatic amine
benzylaminopurine	[no description available]	medium	1	0	6-aminopurines	cytokinin; plant metabolite
s-adenosylhomocysteine	[no description available]	medium	2	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
oxytocin	[no description available]	medium	11	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
carbazole	[no description available]	medium	1	0	carbazole
thiocysteine	[no description available]	medium	1	0	amino acid zwitterion; S-substituted L-cysteine	human metabolite; mouse metabolite
cyanates	[no description available]	medium	8	0
semapimod	[no description available]	medium	1	0
chalcone	[no description available]	medium	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
threonine	[no description available]	medium	22	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
isoleucine	[no description available]	medium	12	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
adenylosuccinate	[no description available]	medium	1	0
valine	[no description available]	medium	15	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
4-azidobenzylcarazolol	[no description available]	medium	1	0
myristic acid	[no description available]	medium	5	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
tak 779	[no description available]	medium	1	0
docusate sodium	[no description available]	medium	1	0	organic sodium salt
vanadium	[no description available]	medium	2	0	elemental vanadium; vanadium group element atom	micronutrient
chromium	[no description available]	medium	12	2	chromium group element atom; metal allergen	micronutrient
photobiotin	[no description available]	medium	36	0
dihydro-beta-erythroidine	[no description available]	medium	1	0	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
nandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
poloxalene	[no description available]	medium	2	0	epoxide
sodium bisulfide	[no description available]	medium	1	0
g(m1) ganglioside	[no description available]	medium	16	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
azobenzene	[no description available]	medium	3	0	azobenzenes
maleic anhydride	[no description available]	medium	2	0	cyclic dicarboxylic anhydride; furans	allergen
xenon	[no description available]	medium	4	0	monoatomic xenon; noble gas atom; p-block element atom
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	3	0
phosphorus	[no description available]	medium	18	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
5,6-dihydroorotate	[no description available]	medium	1	0	monocarboxylic acid; N-acylurea; pyrimidinemonocarboxylic acid; secondary amide
pyrimidine	[no description available]	medium	3	0	diazine; pyrimidines	Daphnia magna metabolite
biotin sulfone	[no description available]	medium	10	0	biotins; sulfone	metabolite
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
tariquidar	[no description available]	medium	2	0	benzamides
lipofectamine	[no description available]	medium	1	0
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
carbostyril	[no description available]	medium	3	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
sudan black b	[no description available]	medium	1	0	azobenzenes; bis(azo) compound; perimidines	histological dye
tungsten	[no description available]	medium	3	0	chromium group element atom	micronutrient
zeolites	[no description available]	medium	1	0
terephthalic acid	[no description available]	medium	1	0	benzenedicarboxylic acid
enbucrilate	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; nitrile
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
enkephalin, leucine	[no description available]	medium	15	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
gallium	[no description available]	medium	3	0	boron group element atom
gallium phosphide	[no description available]	medium	1	0
beta-methylcrotonylglycine	[no description available]	medium	10	0	N-acylglycine	metabolite
bradykinin	[no description available]	medium	7	0	oligopeptide	human blood serum metabolite; vasodilator agent
fibrin	[no description available]	medium	5	0	peptide
cyclam	[no description available]	medium	4	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
gallium nitride	[no description available]	medium	2	0
deuterium	[no description available]	medium	8	0	dihydrogen
hydrogen	[no description available]	medium	12	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
fluorescamine	[no description available]	medium	3	0
torcetrapib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; carbamate ester; quinolines	anticholesteremic drug; CETP inhibitor
eosine-5-isothiocyanate	[no description available]	medium	2	0	isothiocyanate; organobromine compound
cystinylglycine	[no description available]	medium	1	0
dithionitrobenzoic acid	[no description available]	medium	4	0	nitrobenzoic acid; organic disulfide	indicator
cystine	[no description available]	medium	14	0
monobromobimane	[no description available]	medium	1	0	organobromine compound; pyrazolopyrazole	fluorochrome
undecanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antifungal agent; human metabolite
jasmonic acid	[no description available]	medium	3	0	oxo monocarboxylic acid	jasmonates; plant metabolite
amyloid beta-peptides	[no description available]	medium	6	0
galactosamine	[no description available]	medium	2	0	D-galactosamine; primary amino compound	toxin
soman	[no description available]	medium	3	0	phosphonic ester
sarin	[no description available]	medium	2	0	fluorine molecular entity; phosphinic ester
isoflurophate	[no description available]	medium	4	0	dialkyl phosphate
mtt formazan	[no description available]	medium	1	0
formazans	[no description available]	medium	1	0
phenylacetylene	[no description available]	medium	1	0	benzenes
phenylazide	[no description available]	medium	1	0
n-methyl-3,4-methylenedioxyamphetamine	[no description available]	medium	1	0	amphetamines; benzodioxoles	neurotoxin
biotin-11-dutp	[no description available]	medium	27	0
ethyl acetate	[no description available]	medium	1	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
thiazolyl blue	[no description available]	medium	5	0	organic bromide salt	colorimetric reagent; dye
bromosuccinimide	[no description available]	medium	2	0	dicarboximide; organobromine compound; pyrrolidinone	reagent
trioctyl phosphine oxide	[no description available]	medium	3	0
diepoxybutane	[no description available]	medium	1	0	epoxide	mutagen
gentamicin	[no description available]	medium	5	0
antibiotic g 418	[no description available]	medium	1	0
cysteamine	[no description available]	medium	5	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc	[no description available]	medium	7	0	amino tetrasaccharide; glucosamine oligosaccharide	epitope
exenatide	[no description available]	medium	2	0
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	1	0
metribolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid	androgen
qx-314	[no description available]	medium	4	0	monocarboxylic acid amide	local anaesthetic
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	4	0	naphthalenes; sulfonic acid derivative
nile blue	[no description available]	medium	1	0
calcitonin	[no description available]	medium	2	0
ferrous gluconate	[no description available]	medium	1	0
tetraethylammonium	[no description available]	medium	3	0	quaternary ammonium ion
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	10	0	nucleoside triphosphate analogue
guanosine 5'-o-(2-thiotriphosphate)	[no description available]	medium	1	0
acetonitrile	[no description available]	medium	3	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
pqq cofactor	[no description available]	medium	2	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
2-amino-5-phosphonovalerate	[no description available]	medium	10	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine	[no description available]	medium	1	0
n-(4-dimethylamino-3,5-dinitrophenyl)maleimide	[no description available]	medium	1	0
bleomycetin	[no description available]	medium	1	0
gadolinium oxide	[no description available]	medium	1	0
nitroxyl	[no description available]	medium	1	0	nitrogen oxoacid
brefeldin a	[no description available]	medium	3	0	macrolide antibiotic	Penicillium metabolite
carboxy phosphate	[no description available]	medium	3	0	acyclic mixed acid anhydride; one-carbon compound; organic phosphate
metaperiodate	[no description available]	medium	14	0	iodine oxoacid
aniline	[no description available]	medium	1	0	anilines; primary arylamine
metaperiodate	[no description available]	medium	7	0	iodine oxoanion; monovalent inorganic anion
2,4-dinitrophenylhydrazine	[no description available]	medium	1	0	C-nitro compound; phenylhydrazines	reagent
sodium borohydride	[no description available]	medium	2	0	inorganic sodium salt; metal tetrahydridoborate
dityrosine	[no description available]	medium	1	0	biphenyls; non-proteinogenic alpha-amino acid; tyrosine derivative	biomarker
astatine	[no description available]	medium	6	0	elemental astatine
dodecaborate	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	4	0	non-proteinogenic alpha-amino acid	neurotoxin
neurotensin	[no description available]	medium	5	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
cyanuric chloride	[no description available]	medium	1	0	chloro-1,3,5-triazine; organochlorine compound	cross-linking reagent
endomorphin 2	[no description available]	medium	2	0
endomorphin 1	[no description available]	medium	1	0	oligopeptide
cobaltous chloride	[no description available]	medium	3	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ammonium hydroxide	[no description available]	medium	23	1	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
bacteriochlorophylls	[no description available]	medium	1	0
nitrogenase	[no description available]	medium	2	0
2,2'-dipyridyl	[no description available]	medium	10	0	bipyridine	chelator; ferroptosis inhibitor
tris(2,2'-bipyridine)ruthenium iii	[no description available]	medium	1	0
thiophenol	[no description available]	medium	1	0	aryl thiol
2-naphthalenethiol	[no description available]	medium	1	0	naphthalenes
4-aminothiophenol	[no description available]	medium	1	0
17-alpha-hydroxyprogesterone	[no description available]	medium	2	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
benzoxazoles	[no description available]	medium	2	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidine)quinolinium, tetraiodide	[no description available]	medium	2	0	cyanine dye; organic iodide salt	fluorochrome
n-methyldiethanolamine	[no description available]	medium	1	0
n-iodoacetyl-n'-biotinylhexylenediamine	[no description available]	medium	7	0
1-biotinamido-4-(4'-(maleimidomethyl)cyclohexanecarboxamido)butane	[no description available]	medium	7	0
tetranitromethane	[no description available]	medium	2	0	organonitrogen compound
8-bromocyclic gmp	[no description available]	medium	5	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
biotin-16-dutp	[no description available]	medium	12	0
picrotoxin	[no description available]	medium	5	0
3-(trimethoxysilyl)propyldimethyloctadecylammonium	[no description available]	medium	1	0
tetrahydrofuran	[no description available]	medium	5	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
carbadox	[no description available]	medium	1	0	quinoxaline derivative
cellulase	[no description available]	medium	2	0	cellotriose
latrunculin a	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
2-amino-4-phosphonobutyric acid	[no description available]	medium	2	0
sulfosuccinimidyl 6-(biotinamido)hexanoate	[no description available]	medium	26	0
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
rhodamine 110	[no description available]	medium	1	0
saxitoxin	[no description available]	medium	1	0	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin
1,2-distearoylphosphatidylethanolamine	[no description available]	medium	6	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
angiotensin ii	[no description available]	medium	13	0	amino acid zwitterion; angiotensin II	human metabolite
ramiprilat	[no description available]	medium	1	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid; dipeptide	bradykinin receptor B2 agonist; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor
betrixaban	[no description available]	medium	1	0	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
4-aminopyridine	[no description available]	medium	3	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
thioflavin t	[no description available]	medium	1	0	organic chloride salt	fluorochrome; geroprotector; histological dye
n-acetylpenicillamine	[no description available]	medium	1	0	N-acetyl-D-amino acid
prostaglandin a1	[no description available]	medium	1	0	prostaglandins A
8-bromo cyclic adenosine monophosphate	[no description available]	medium	4	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
neodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
sinapinic acid	[no description available]	medium	1	0	sinapic acid	MALDI matrix material; plant metabolite
nitrites	[no description available]	medium	7	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitroblue tetrazolium	[no description available]	medium	6	0	organic cation
tris(2,2'-bipyridine)ruthenium(II)	[no description available]	medium	2	0	ruthenium coordination entity	fluorochrome
atrazine	[no description available]	medium	2	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
paraoxon	[no description available]	medium	3	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
soraphen a	[no description available]	medium	1	0	cyclic hemiketal; ether; macrolide; olefinic compound	bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent
n-isopropylacrylamide	[no description available]	medium	3	0
2-aminoethylmethacrylate	[no description available]	medium	1	0	enoate ester
8-bromoadenosine-3',5'-cyclic monophosphorothioate	[no description available]	medium	1	0
pituitrin	[no description available]	medium	18	0
niobium	[no description available]	medium	2	0	vanadium group element atom
lithium niobate	[no description available]	medium	1	0
alkenes	[no description available]	medium	6	0
phosphocreatine	[no description available]	medium	3	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
cyanogen bromide	[no description available]	medium	12	0
chondroitin sulfates	[no description available]	medium	9	0
cyclofenil	[no description available]	medium	1	0	organic molecular entity
ethyl isocyanate	[no description available]	medium	1	0	isocyanates
n-methylacetamide-oxotremorine m	[no description available]	medium	2	0
oxybiotin	[no description available]	medium	20	0
imidazole	[no description available]	medium	2	0	imidazole
11-octadecenoic acid	[no description available]	medium	1	0	vaccenic acid
xanthopterin	[no description available]	medium	2	0
thiophane	[no description available]	medium	4	0	saturated organic heteromonocyclic parent; tetrahydrothiophenes
p-dimethylaminoazobenzene	[no description available]	medium	12	0	azobenzenes
nk 2761	[no description available]	medium	1	0
rhodanine	[no description available]	medium	1	0	thiazolidinone
tin(iv) chlorin e6	[no description available]	medium	1	0
coronatine	[no description available]	medium	1	0	N-acyl-amino acid
4-dimethylaminobenzenediazonium fluoroborate	[no description available]	medium	1	0	organic tetrafluoroborate salt
melitten	[no description available]	medium	5	0
(3-mercaptopropyl)trimethoxysilane	[no description available]	medium	4	0
perchlorate	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
papaverine	[no description available]	medium	2	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
divinyl sulfone	[no description available]	medium	3	0	sulfone	cross-linking reagent
acridine orange	[no description available]	medium	2	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
staurosporine	[no description available]	medium	10	0	ammonium ion derivative
biphenylylacetic acid	[no description available]	medium	1	0
itraconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
barium chloride	[no description available]	medium	2	0	barium salt; inorganic chloride	potassium channel blocker
succinimidyl carbonate	[no description available]	medium	1	0
3-mercaptopropanol	[no description available]	medium	1	0
11-mercaptoundecanoic acid	[no description available]	medium	2	0
dehydroalanine	[no description available]	medium	1	0	2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid	alkylating agent; human metabolite; mouse metabolite
strychnine	[no description available]	medium	6	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
bromochloroacetic acid	[no description available]	medium	26	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
copper	[no description available]	medium	1	0	copper cation; monoatomic monocation	cofactor
propionyl-coenzyme a	[no description available]	medium	9	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
butyryl-coenzyme a	[no description available]	medium	2	0	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
g(m3) ganglioside	[no description available]	medium	4	0	alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide	mouse metabolite
alpha-aminopyridine	[no description available]	medium	4	0
methacrylamide	[no description available]	medium	1	0	acrylamides; primary carboxamide
biotinyl-n-hydroxysulfosuccinimide ester	[no description available]	medium	12	0
arabinose	[no description available]	medium	2	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
stachyose	[no description available]	medium	1	0	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite
calpain	[no description available]	medium	4	0
schweinfurthin f	[no description available]	medium	1	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
dithiol	[no description available]	medium	1	0
gpgp	[no description available]	medium	1	0
glycidyl nitrate	[no description available]	medium	4	0
phosphine	[no description available]	medium	5	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
phosphoramidic acid	[no description available]	medium	4	0	phosphoric acid derivative
spermidine	[no description available]	medium	2	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
adenosine diphosphate ribose	[no description available]	medium	6	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
thiourea	[no description available]	medium	6	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
butyric acid	[no description available]	medium	3	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
imidazolone	[no description available]	medium	1	0	organonitrogen heterocyclic compound
gala peptide	[no description available]	medium	2	0
8-hydroxyguanosine	[no description available]	medium	1	0	purine nucleoside
fluorodeoxyglucose f18	[no description available]	medium	2	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
oxazoles	[no description available]	medium	3	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
dimethoate	[no description available]	medium	1	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
fura-2	[no description available]	medium	2	0
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
n-hydroxysuccinimide s-acetylthioacetate	[no description available]	medium	2	0
sulfosuccinimidyl 4-(n-maleimidomethyl)cyclohexane-1-carboxylate	[no description available]	medium	1	0
mannans	[no description available]	medium	8	1
xylose	[no description available]	medium	4	0	D-xylose
divinyl benzene	[no description available]	medium	1	0	styrenes
sorbose	[no description available]	medium	1	0	L-sorbose; sorbopyranose
proline	[no description available]	medium	16	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
provitamin c	[no description available]	medium	1	0	hexose
phosphotyrosine	[no description available]	medium	8	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
phosphothreonine	[no description available]	medium	1	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
phosphorylethanolamine	[no description available]	medium	1	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
1,4-benzoquinoneimine	[no description available]	medium	1	0	quinone imine
firefly luciferin	[no description available]	medium	2	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate	luciferin
methacrylic acid	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid
acrylamide	[no description available]	medium	3	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
thymoquinone	[no description available]	medium	1	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
chelerythrine	[no description available]	medium	3	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
tirofiban	[no description available]	medium	1	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
n'-formylkynurenine	[no description available]	medium	1	0	amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1,2-distearoyllecithin	[no description available]	medium	3	0
hexaminecobalt (iii) trichloride	[no description available]	medium	1	0
5-hydroxytryptophan	[no description available]	medium	1	0	hydroxytryptophan	human metabolite; neurotransmitter
3-acryloxypropyltrimethoxysilane	[no description available]	medium	1	0
3,3'-dioctadecylindocarbocyanine	[no description available]	medium	10	0	Cy5 dye; indolium ion	fluorochrome
melamine formaldehyde	[no description available]	medium	1	0
sodium tellurite	[no description available]	medium	1	0
2,6-dichlorobenzamide	[no description available]	medium	1	0	benzamides; dichlorobenzene	herbicide; marine xenobiotic metabolite
thymidine 5'-triphosphate	[no description available]	medium	7	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
noladin ether	[no description available]	medium	1	0	2-alkylglycerol; endocannabinoid; monoalkylglycerol
glyceryl 2-arachidonate	[no description available]	medium	2	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
anandamide	[no description available]	medium	4	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
gymnodimine	[no description available]	medium	2	0
8-nitroguanosine 3',5'-cyclic monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; C-nitro compound	biomarker; Brassica napus metabolite; human metabolite; signalling molecule
sansalvamide a	[no description available]	medium	1	0
n-acetylmethionine	[no description available]	medium	1	0	L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine	nutraceutical
tetraethoxysilane	[no description available]	medium	1	0
dysprosium	[no description available]	medium	2	0	f-block element atom; lanthanoid atom
nitrates	[no description available]	medium	14	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
magnesium nitrate	[no description available]	medium	1	0	inorganic nitrate salt; magnesium salt	fertilizer
dansyl chloride	[no description available]	medium	1	0	aminonaphthalene; sulfonic acid derivative
pimonidazole	[no description available]	medium	1	0
azomycin	[no description available]	medium	2	0	C-nitro compound; imidazoles	antitubercular agent
urapidil	[no description available]	medium	1	0	piperazines
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
flavin mononucleotide	[no description available]	medium	7	0
cyanuric acid	[no description available]	medium	1	0	1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound	xenobiotic
melamine	[no description available]	medium	1	0	triamino-1,3,5-triazine	xenobiotic metabolite
dehydroxymethylepoxyquinomicin	[no description available]	medium	1	0
rhamnose	[no description available]	medium	2	0	L-rhamnose
edetic acid	[no description available]	medium	1	0
beta-solamarine	[no description available]	medium	1	0	steroid saponin
aplyronine a	[no description available]	medium	1	0
phosphonoacetic acid	[no description available]	medium	2	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
lactacystin	[no description available]	medium	1	0	lactam; S-substituted L-cysteine
hymecromone	[no description available]	medium	6	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
2'-(4-methylumbelliferyl)-alpha-d-n-acetylneuraminic acid	[no description available]	medium	1	0
s-(1,2-dichlorovinyl)cysteine	[no description available]	medium	1	0	S-(1,2-dichlorovinyl)-L-cysteine
s-(1,2-dichlorovinyl)-l-cysteine sulfoxide	[no description available]	medium	1	0
succinylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles
inositol-1,3,4,5-tetrakisphosphate	[no description available]	medium	1	0	inositol phosphate
bisbenzimidazole	[no description available]	medium	3	0	bibenzimidazole; N-methylpiperazine	anthelminthic drug; fluorochrome
deguelin	[no description available]	medium	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
5-iodoacetamidofluorescein	[no description available]	medium	3	0
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
dihydroxyphenylalanine	[no description available]	medium	3	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
triphenylphosphine	[no description available]	medium	1	0	benzenes; tertiary phosphine	NMR chemical shift reference compound; reducing agent
leucyl-aspartyl-valine	[no description available]	medium	1	0	oligopeptide
cholecystokinin	[no description available]	medium	10	0
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
lactoferricin b	[no description available]	medium	1	0
guanosine 5'-monophosphorothioate	[no description available]	medium	1	0
bis(3',5')-cyclic diguanylic acid	[no description available]	medium	1	0	cyclic purine dinucleotide; guanyl ribonucleotide	immunomodulator; signalling molecule
hypericin	[no description available]	medium	1	0
cascade blue	[no description available]	medium	1	0	aminonaphthalene	fluorochrome
n-vinyl-2-pyrrolidinone	[no description available]	medium	2	0	pyrrolidin-2-ones
4-hydroxyazobenzene	[no description available]	medium	1	0
2-methacryloyloxyethyl phosphorylcholine	[no description available]	medium	1	0
ractopamine	[no description available]	medium	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
cesium	[no description available]	medium	3	0	alkali metal atom
2-amino-3-ketobutyrate	[no description available]	medium	1	0	3-oxo monocarboxylic acid; non-proteinogenic alpha-amino acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	1	0
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
12-o-retinoylphorbol-13-acetate	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
cystamine	[no description available]	medium	2	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
2-naphthol	[no description available]	medium	3	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
quinone methide	[no description available]	medium	1	0	quinomethane
sincalide	[no description available]	medium	2	0	oligopeptide
u 69593	[no description available]	medium	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
peptones	[no description available]	medium	9	0
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol	[no description available]	medium	1	0
hu 308	[no description available]	medium	1	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist
ricinoleic acid	[no description available]	medium	1	0	(9Z)-12-hydroxyoctadec-9-enoic acid
12-hydroxy stearic acid	[no description available]	medium	1	0	hydroxyoctadecanoic acid; secondary alcohol	bacterial xenobiotic metabolite; plant metabolite
fadrozole	[no description available]	medium	1	0	imidazopyridine
benzamide	[no description available]	medium	1	0	benzamides
cyclin d1	[no description available]	medium	3	0
acrolein	[no description available]	medium	2	0	enal	herbicide; human xenobiotic metabolite; toxin
tempo	[no description available]	medium	1	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
3-methylglutarylcarnitine	[no description available]	medium	1	0	O-methylglutarylcarnitine	metabolite
diphthamide	[no description available]	medium	1	0	quaternary ammonium ion
peptide elongation factor 2	[no description available]	medium	3	0
sch 23390	[no description available]	medium	1	0	benzazepine
triphenyltetrazolium	[no description available]	medium	1	0	organic cation
dimethylphenylpiperazinium iodide	[no description available]	medium	2	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
vanillic acid	[no description available]	medium	1	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
bay-k-8644	[no description available]	medium	2	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
duramycin	[no description available]	medium	1	0	heterodetic cyclic peptide; macrocycle	antimicrobial agent; apoptosis inducer; bacterial metabolite
obelin	[no description available]	medium	1	0
preproenkephalin	[no description available]	medium	3	0
vicine	[no description available]	medium	1	0	glycoside
pyrimidinones	[no description available]	medium	1	0
ferric chloride	[no description available]	medium	3	0	iron coordination entity	astringent; Lewis acid
methylene chloride	[no description available]	medium	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
trifluoromethanesulfonic acid	[no description available]	medium	1	0	one-carbon compound; perfluoroalkanesulfonic acid
4-o-alpha-d-galactopyranosyl-d-galactose	[no description available]	medium	1	0	O-acyl carbohydrate
ethylene oxide	[no description available]	medium	1	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
diethyl phthalate	[no description available]	medium	1	0	diester; ethyl ester; phthalate ester	neurotoxin; plasticiser; teratogenic agent
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
picolinic acid	[no description available]	medium	8	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
picolinic acid	[no description available]	medium	8	3	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
malondialdehyde	[no description available]	medium	2	0	dialdehyde	biomarker
1-hexanol	[no description available]	medium	3	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
2-mercaptoacetate	[no description available]	medium	1	0	monocarboxylic acid anion
mercaptoethanol	[no description available]	medium	12	0	alkanethiol; primary alcohol	geroprotector
stearic acid	[no description available]	medium	2	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
methyl levulinate	[no description available]	medium	1	0	oxo carboxylic acid
2,5-anhydromannitol	[no description available]	medium	1	0
isoserine	[no description available]	medium	1	0
lewis x antigen	[no description available]	medium	3	0
cathepsin g	[no description available]	medium	3	0
atrial natriuretic factor	[no description available]	medium	4	0	polypeptide
phenylhydrazine	[no description available]	medium	4	0	phenylhydrazines	xenobiotic
inosine diphosphate	[no description available]	medium	1	0	inosine phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite
edotreotide	[no description available]	medium	1	0
leptomycin b	[no description available]	medium	1	0
callystatin a	[no description available]	medium	1	0	diterpenoid
valtrate	[no description available]	medium	1	0	fatty acid ester
iridoids	[no description available]	medium	1	0
lithium sulfate	[no description available]	medium	1	0	metal sulfate	antidepressant
fluorescein 5-maleimide	[no description available]	medium	1	0
aurintricarboxylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
molybdenum cofactor	[no description available]	medium	3	0	Mo-molybdopterin cofactor; organophosphate oxoanion
pteridines	[no description available]	medium	4	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
sodium azide	[no description available]	medium	2	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
deoxyglucose	[no description available]	medium	6	0
dizocilpine maleate	[no description available]	medium	2	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
guanidine	[no description available]	medium	14	0	carboxamidine; guanidines; one-carbon compound
panepoxydone	[no description available]	medium	1	0
anticodon	[no description available]	medium	2	0
4-nitrophenylalanine	[no description available]	medium	1	0	C-nitro compound
fumaramide	[no description available]	medium	1	0
5-deazariboflavin	[no description available]	medium	1	0
5'-deoxyadenosine	[no description available]	medium	2	0	5'-deoxyribonucleoside; adenosines	Escherichia coli metabolite; human metabolite; mouse metabolite
n-amylamine	[no description available]	medium	1	0	primary aliphatic amine
cresyl violet	[no description available]	medium	5	0
tanespimycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
geldanamycin	[no description available]	medium	1	0
methylmalonyl-coenzyme a	[no description available]	medium	6	0
bafilomycin a1	[no description available]	medium	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
11-dehydro-thromboxane b2	[no description available]	medium	1	0	thromboxane	human metabolite
thromboxane b2	[no description available]	medium	2	0	thromboxanes B	human metabolite; mouse metabolite
5-bromo-2',3'-dideoxyuridine	[no description available]	medium	1	0
bathophenanthroline	[no description available]	medium	1	0	benzenes; phenanthrolines	chelator
haloxyfop	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
sulfamonomethoxine	[no description available]	medium	1	0	benzenes; sulfonamide
phosphoadenosine phosphosulfate	[no description available]	medium	1	0	acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate	Escherichia coli metabolite; mouse metabolite
sulfaton	[no description available]	medium	1	0
holmium	[no description available]	medium	2	0	f-block element atom; lanthanoid atom
tantalum	[no description available]	medium	1	0	vanadium group element atom
tantalum oxide	[no description available]	medium	1	0
gramicidin a	[no description available]	medium	10	0
carboxypeptidase b	[no description available]	medium	2	0
adenosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	4	0	nucleoside triphosphate analogue
4-hydroxy-5-nitrophenyl acetic acid	[no description available]	medium	2	0	monocarboxylic acid anion
nitrophenols	[no description available]	medium	7	0
sodium cyanide	[no description available]	medium	2	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
11-hydroxyandrostenedione	[no description available]	medium	1	0	3-hydroxy steroid	androgen
androstenedione	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
oxophenylarsine	[no description available]	medium	2	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phorboxazole a	[no description available]	medium	1	0
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	2	0
echistatin	[no description available]	medium	3	0
8-((4-chlorophenyl)thio)cyclic-3',5'-amp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound	protein kinase agonist
acridines	[no description available]	medium	7	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
2-methoxy-2,4-diphenyl-3(2h)-furanone	[no description available]	medium	1	0
7-hydroxystaurosporine	[no description available]	medium	1	0
sodium selenite	[no description available]	medium	1	0	inorganic sodium salt; selenite salt	nutraceutical
barium sulfate	[no description available]	medium	1	0	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
fr dental filling	[no description available]	medium	1	0
4-(4-diethylaminostyryl)-n-methylpyridinium	[no description available]	medium	1	0	organic iodide salt; pyridinium salt	fluorochrome
cobrotoxin	[no description available]	medium	2	0
anabaseine	[no description available]	medium	1	0	bipyridines
anabasine	[no description available]	medium	1	0	anabasine
tubocurarine	[no description available]	medium	3	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
alpha-cobratoxin	[no description available]	medium	1	0
dehydroascorbic acid	[no description available]	medium	2	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
lutetium	[no description available]	medium	4	0	d-block element atom; lanthanoid atom
dcg 04	[no description available]	medium	2	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
phthalylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; dicarboxylic acid monoamide; sulfonamide antibiotic; sulfonamide
phytomonic acid	[no description available]	medium	2	0	carbocyclic fatty acid; long-chain fatty acid; saturated fatty acid
cortisone	[no description available]	medium	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
pteropterin	[no description available]	medium	1	0
purine	[no description available]	medium	8	0	purine
aminopterin	[no description available]	medium	3	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
ribose	[no description available]	medium	5	0	D-ribose; ribopyranose
4-aminoimidazole	[no description available]	medium	1	0	aminoimidazole
cobamamide	[no description available]	medium	2	0
intrinsic factor	[no description available]	medium	2	0
acid phosphatase	[no description available]	medium	9	0
pantethine	[no description available]	medium	1	0	organic disulfide	coenzyme; nutraceutical
pantetheine	[no description available]	medium	3	0	pantetheines; thiol	human metabolite; metabolite; mouse 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
2-methylbutanoic acid	[no description available]	medium	1	0	methylbutyric acid	bacterial metabolite; human metabolite
cellobiose	[no description available]	medium	1	0	cellobiose	epitope
acebutolol	[no description available]	medium	7	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
levoleucovorin	[no description available]	medium	7	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
pyridoxamine	[no description available]	medium	2	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
casein hydrolysate	[no description available]	medium	2	0
oxythiamine	[no description available]	medium	1	0	1,3-thiazolium cation	antimetabolite; vitamin B1 antagonist
pyrithiamine	[no description available]	medium	1	0
putrescine	[no description available]	medium	5	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
hydroxocobalamin	[no description available]	medium	1	0
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
pentadecanoic acid	[no description available]	medium	2	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite
10-octadecenoic acid	[no description available]	medium	1	0
malonic acid	[no description available]	medium	5	0	alpha,omega-dicarboxylic acid	human metabolite
caprylates	[no description available]	medium	2	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
nicotinic acid adenine dinucleotide	[no description available]	medium	1	0	nicotinic acid dinucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
isovaleryl-coenzyme a	[no description available]	medium	1	0	methylbutanoyl-CoA; short-chain fatty acyl-CoA	mouse metabolite
carbonic acid	[no description available]	medium	1	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
carboplatin	[no description available]	medium	1	0
iodixanol	[no description available]	medium	2	0	organoiodine compound	radioopaque medium
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
n-glycolylneuraminic acid	[no description available]	medium	1	0	N-acylneuraminic acid
cetyltrimethylammonium ion	[no description available]	medium	4	0	quaternary ammonium ion
2-pentanone	[no description available]	medium	1	0	methyl ketone; pentanone	plant metabolite
db293	[no description available]	medium	1	0
omega-agatoxin iva	[no description available]	medium	1	0
naloxonazine	[no description available]	medium	1	0
norbinaltorphimine	[no description available]	medium	1	0	isoquinolines
glutaminase	[no description available]	medium	4	0
lithium	[no description available]	medium	3	0	alkali metal atom
aspidophytine	[no description available]	medium	1	0
oxalates	[no description available]	medium	10	0
2-nitrophenylgalactoside	[no description available]	medium	2	0
nitrophenylgalactosides	[no description available]	medium	2	0	beta-D-galactoside; C-nitro compound	chromogenic compound
latrunculin b	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
angiogenin	[no description available]	medium	1	0
hydrochloric acid	[no description available]	medium	5	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
n,n-carbonyldiimidazole	[no description available]	medium	3	0
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
6-hydroxyl-1,6-dihydropurine ribonucleoside	[no description available]	medium	1	0
promethium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
oxazolidine	[no description available]	medium	1	0	oxazolidine
5'-s-(2-aminoethyl)-n(6)-(4-nitrobenzyl)-5'-thioadenosine	[no description available]	medium	1	0
2'-deoxyadenosine triphosphate	[no description available]	medium	4	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
deoxyribose	[no description available]	medium	1	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nsc 520594	[no description available]	medium	1	0
2'-deoxy-7-deazaguanosine triphosphate	[no description available]	medium	1	0
osmium tetroxide-2,2'-bipyridine	[no description available]	medium	1	0
beta-glucono-1,5-lactone	[no description available]	medium	1	0	aldono-1,5-lactone; gluconolactone	animal metabolite; mouse metabolite
aziridine	[no description available]	medium	1	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
mefloquine	[no description available]	medium	2	0
sphingosine kinase	[no description available]	medium	2	0
glyceraldehyde 3-phosphate	[no description available]	medium	1	0	glyceraldehyde 3-phosphate	mouse metabolite
iodoacetic acid	[no description available]	medium	3	0	haloacetic acid; organoiodine compound	alkylating agent
dicyclohexylcarbodiimide	[no description available]	medium	1	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
3-((4-azidophenyl)dithio)propionic n-hydroxysuccinimide	[no description available]	medium	1	0
5-bromo-4-chloro-3-indoxyl phosphate	[no description available]	medium	4	0	aryl phosphate; indoles; organobromine compound; organochlorine compound	chromogenic compound
dermatan sulfate	[no description available]	medium	2	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
sulfan blue	[no description available]	medium	3	0	organic molecular entity
oleanolic acid	[no description available]	medium	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
prostaglandin a2	[no description available]	medium	2	0	prostaglandins A	human metabolite
bombykal	[no description available]	medium	1	0
pentadecanal	[no description available]	medium	1	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component
tolonium chloride	[no description available]	medium	3	0
n-methyl-dl-aspartic acid	[no description available]	medium	1	0	aspartic acid derivative
retinaldehyde	[no description available]	medium	1	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
fr 901464	[no description available]	medium	1	0
cobra cardiotoxin proteins	[no description available]	medium	1	0
niobium pentoxide	[no description available]	medium	1	0
phosmidosine	[no description available]	medium	1	0
indoxyl phosphate	[no description available]	medium	1	0
bradykinin (1-5)	[no description available]	medium	1	0
cysteic acid	[no description available]	medium	1	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
castasterone	[no description available]	medium	1	0	22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; 6-oxo steroid; brassinosteroid	plant growth stimulator
brassinolide	[no description available]	medium	1	0	22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; brassinosteroid	plant growth stimulator; plant hormone
3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3h)-one	[no description available]	medium	1	0
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
ng-nitroarginine methyl ester	[no description available]	medium	7	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
sq-23377	[no description available]	medium	2	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
ethylmaleimide	[no description available]	medium	11	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
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
cesium chloride	[no description available]	medium	2	0	inorganic caesium salt; inorganic chloride	phase-transfer catalyst; vasoconstrictor agent
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
indium oxine	[no description available]	medium	1	0
2,4,5-trihydroxypentanoic acid gamma-lactone	[no description available]	medium	1	0	ribonolactone	metabolite
n-(3-(aminomethyl)benzyl)acetamidine	[no description available]	medium	1	0	aralkylamine; carboxamidine; primary amino compound	angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector
1,2-dihexanoylphosphatidylethanolamine	[no description available]	medium	1	0
lysophosphatidylserine	[no description available]	medium	1	0	1-acyl-sn-glycero-3-phosphoserine
thromboplastin	[no description available]	medium	4	0
boric acid	[no description available]	medium	1	0	boric acids	astringent
formic acid	[no description available]	medium	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
methylamine	[no description available]	medium	2	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde	[no description available]	medium	2	0	benzoic acids; quinolines	fluorochrome
propane	[no description available]	medium	1	0	alkane; gas molecular entity	food propellant
2-nitropropane	[no description available]	medium	1	0	secondary nitroalkane	carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic
dinitrobenzenes	[no description available]	medium	6	0
arvanil	[no description available]	medium	1	0	methoxybenzenes; phenols
eptifibatide	[no description available]	medium	1	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
nystatin a1	[no description available]	medium	2	0	nystatins
hyaluronoglucosaminidase	[no description available]	medium	9	0
methylazoxymethanol acetate	[no description available]	medium	1	0	azoxy compound
uridine triphosphate	[no description available]	medium	15	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
cytidine triphosphate	[no description available]	medium	3	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	0	(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
neutral red	[no description available]	medium	1	0	hydrochloride	acid-base indicator; dye; two-colour indicator
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
wortmannin	[no description available]	medium	2	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
calcimycin	[no description available]	medium	6	0	benzoxazole
carbocyanine dye diic12(3)	[no description available]	medium	1	0
tissue plasminogen activator	[no description available]	medium	2	0	alpha-amino acid
isoprene	[no description available]	medium	4	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
lorglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative
2-amino-6-(2-thienyl)purine	[no description available]	medium	1	0
3-mercaptohexanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
(3-dimyristyloxypropyl)(dimethyl)(hydroxyethyl)ammonium	[no description available]	medium	1	0
y 27632	[no description available]	medium	1	0	aromatic amide
lissamine rhodamine b	[no description available]	medium	4	0
mercuric chloride	[no description available]	medium	3	0	mercury coordination entity	sensitiser
(3h)2-carbomethoxy-3-(4-fluorophenyl)tropane	[no description available]	medium	1	0
lead radioisotopes	[no description available]	medium	1	0
dansyl phosphatidylethanolamine	[no description available]	medium	1	0
citronellol	[no description available]	medium	1	0	monoterpenoid	plant metabolite
isovaleric acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
glyceryl behenate	[no description available]	medium	1	0	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite
stearylamine	[no description available]	medium	1	0	primary aliphatic amine	film-forming compound
c.i. direct blue 1	[no description available]	medium	1	0
chymosin	[no description available]	medium	1	0
tripropylamine	[no description available]	medium	1	0	tertiary amine
methanesulfonic acid	[no description available]	medium	1	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
n-acetyl-s-(n-methylcarbamoyl)cysteine	[no description available]	medium	1	0	N-acyl-amino acid
c.i. fluorescent brightening agent 28	[no description available]	medium	3	0
8-oxo-dado	[no description available]	medium	1	0
samarium	[no description available]	medium	4	0	f-block element atom; lanthanoid atom
colforsin	[no description available]	medium	3	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
kn 93	[no description available]	medium	2	0	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
methylselenic acid	[no description available]	medium	1	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	2	0
p-chloroamphetamine	[no description available]	medium	1	0
hoe 33342	[no description available]	medium	3	0
5-carboxamidotryptamine	[no description available]	medium	1	0	tryptamines
rg108	[no description available]	medium	1	0	indolyl carboxylic acid
phosphoserine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
dimethylaminopropanol	[no description available]	medium	1	0
peoniflorin	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	2	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
4-aminophenyl-beta-galactoside	[no description available]	medium	1	0
ephrin-a5	[no description available]	medium	1	0
iberiotoxin	[no description available]	medium	1	0
omega-n-methylarginine	[no description available]	medium	2	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
heroin	[no description available]	medium	1	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
enkephalin, ala(2)-mephe(4)-gly(5)-	[no description available]	medium	1	0
true blue	[no description available]	medium	1	0
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
fucosyl gm1 ganglioside	[no description available]	medium	1	0
2'-deoxycytidine 5'-triphosphate	[no description available]	medium	4	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
4-(4-dihexadecylaminostyryl)-n-methylpyridium	[no description available]	medium	2	0	pyridinium ion; tertiary amine	fluorochrome
pd 123319	[no description available]	medium	1	0	imidazopyridine	angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent
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
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
norrisolide	[no description available]	medium	1	0
methylmethacrylate	[no description available]	medium	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
sodium cyanoborohydride	[no description available]	medium	1	0
5'-(4-fluorosulfonylbenzoyl)adenosine	[no description available]	medium	1	0
3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate	[no description available]	medium	4	0	1,1-diunsubstituted alkanesulfonate
microcystin	[no description available]	medium	2	0	peptide
2-nitrophenylhydrazine	[no description available]	medium	1	0
16-mercaptohexadecanoic acid	[no description available]	medium	1	0
octanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
lipoxin a4	[no description available]	medium	1	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
farnesyl pyrophosphate	[no description available]	medium	2	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
ethylene sulfide	[no description available]	medium	1	0	organosulfur heterocyclic compound; saturated organic heteromonocyclic parent
va 061	[no description available]	medium	1	0
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
glutaral	[no description available]	medium	14	0	dialdehyde	cross-linking reagent; disinfectant; fixative
monodansylcadaverine	[no description available]	medium	4	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
triphosphoric acid	[no description available]	medium	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid
lissamine rhodamine b sulfonyl chloride	[no description available]	medium	1	0
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
sphingosine 1-phosphate	[no description available]	medium	1	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
dimethylglycine	[no description available]	medium	1	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse metabolite
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
sodium pertechnetate tc 99m	[no description available]	medium	1	0
4-(n-maleimido)benzyltrimethylammonium	[no description available]	medium	1	0
1,5-i-aedans	[no description available]	medium	1	0	aminonaphthalenesulfonic acid	fluorescent probe
phenyl isocyanate	[no description available]	medium	1	0	benzenes; isocyanates	allergen; hapten
5,6,7,8-tetrahydrofolic acid	[no description available]	medium	1	0	tetrahydrofolic acid
bacteriochlorophylls	[no description available]	medium	2	0	bacteriochlorophyll; methyl ester
nbi 31772	[no description available]	medium	1	0	aromatic ketone; benzenediols; hydroxy monocarboxylic acid; isoquinolines; tetrol	insulin-like growth factor-binding protein inhibitor
5,7-dihydroxytryptamine	[no description available]	medium	3	0
qx-222	[no description available]	medium	1	0	amino acid amide
hesperadin	[no description available]	medium	1	0
globotriaosylceramide	[no description available]	medium	1	0
sizofiran	[no description available]	medium	1	0
laminaran	[no description available]	medium	1	0
epiglucan	[no description available]	medium	2	0
pseudouridine	[no description available]	medium	1	0	pseudouridines	fundamental metabolite
hexacyanoferrate iii	[no description available]	medium	1	0
4-aminophenylalanine	[no description available]	medium	1	0	4-aminophenylalanine; amino acid zwitterion
involucrin	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	0	naphthalenes
meclofenamic acid	[no description available]	medium	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
arginyl-glycyl-aspartyl-serine	[no description available]	medium	1	0
linezolid	[no description available]	medium	1	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
oxazolidin-2-one	[no description available]	medium	1	0	carbamate ester; oxazolidinone	metabolite
gibberellic acid	[no description available]	medium	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
pateamine a	[no description available]	medium	1	0	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite
avrainvillamide	[no description available]	medium	1	0	1-benzopyran
flag peptide	[no description available]	medium	2	0	peptide
1,4-cyclohexadiene	[no description available]	medium	1	0	cyclohexadiene
sodium hydroxide	[no description available]	medium	3	0	alkali metal hydroxide
2'-hydroxy-5,9-dimethyl-2-allyl-6,7-benzomorphan	[no description available]	medium	1	0
phenazocine	[no description available]	medium	1	0
urb 597	[no description available]	medium	1	0	biphenyls
oxadiazoles	[no description available]	medium	1	0
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
glucosaminic acid	[no description available]	medium	1	0	amino acid zwitterion; gluconic acid derivative	bacterial metabolite
1,2-dilauroylphosphatidylethanolamine	[no description available]	medium	1	0
kahalalide f	[no description available]	medium	1	0
carbamyl phosphate	[no description available]	medium	2	0	acyl monophosphate; one-carbon compound	Escherichia coli metabolite; mouse metabolite
dichloroacetic anhydride	[no description available]	medium	1	0
2,2-dichloroacetyl chloride	[no description available]	medium	1	0	acyl chloride	hapten
metallothionein	[no description available]	medium	4	0
2-deoxy-2,3-dehydro-n-acetylneuraminic acid	[no description available]	medium	1	0	N-acetylneuraminic acids
biotinyl-4-nitrophenyl ester	[no description available]	medium	5	0
epolactaene	[no description available]	medium	1	0
4-aminophenyldichloroarsine	[no description available]	medium	1	0
1,2-ethanedithiol	[no description available]	medium	1	0
4-aminophenylarsenoxide	[no description available]	medium	1	0
bardoxolone methyl	[no description available]	medium	1	0	cyclohexenones
diprenorphine	[no description available]	medium	1	0	morphinane alkaloid
enkephalin, d-penicillamine (2,5)-	[no description available]	medium	1	0	heterodetic cyclic peptide	delta-opioid receptor agonist
methylphosphonic acid	[no description available]	medium	2	0	one-carbon compound; phosphonic acids
polyethylene glycol 300	[no description available]	medium	1	0	poly(ethylene glycol)
2,3,4,6-tetrachlorophenol	[no description available]	medium	2	0	tetrachlorophenol	xenobiotic metabolite
4-amino-2,6-dichlorophenol	[no description available]	medium	2	0
pentanal	[no description available]	medium	1	0	saturated fatty aldehyde	plant metabolite
glycolipids	[no description available]	medium	10	0
methylmalonic acid	[no description available]	medium	17	0	C4-dicarboxylic acid	human metabolite
gastrins	[no description available]	medium	6	0
inosine triphosphate	[no description available]	medium	2	0	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
8,11,14-eicosatrienoic acid	[no description available]	medium	1	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
docosapentaenoic acid	[no description available]	medium	1	0	docosapentaenoic acid; omega-3 fatty acid	algal metabolite; human metabolite
bucladesine	[no description available]	medium	5	0	3',5'-cyclic purine nucleotide
acth, biotinyl-	[no description available]	medium	3	0
glutaconic acid	[no description available]	medium	2	0	glutaconic acid
thiocystine	[no description available]	medium	1	0
cephalexin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
3-amino-9-ethylcarbazole	[no description available]	medium	1	0	carbazoles
thomsen-friedenreich antigen	[no description available]	medium	4	0
5'-methylthioadenosine	[no description available]	medium	1	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ergothioneine	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
msh, 4-nle-7-phe-alpha-	[no description available]	medium	2	0	polypeptide	dermatologic drug
zinostatin	[no description available]	medium	4	0
sodium nitrite	[no description available]	medium	2	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
tungstic(vi) acid	[no description available]	medium	1	0	tungsten coordination entity
n-(7-dimethylamino-4-methylcoumarinyl)maleimide	[no description available]	medium	1	0
1-carboxyglutamic acid	[no description available]	medium	1	0
candicidin	[no description available]	medium	1	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
phloretic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid	plant metabolite
sodium sulfate	[no description available]	medium	1	0	inorganic sodium salt
arsanilic acid	[no description available]	medium	1	0	organoarsonic acid
hydroxyproline	[no description available]	medium	3	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
3-hydroxy-2-methylvalerate	[no description available]	medium	1	0	hydroxy fatty acid
2-methylcitric acid	[no description available]	medium	2	0	tricarboxylic acid
caloreen	[no description available]	medium	1	0
phenylglyoxal	[no description available]	medium	1	0	phenylacetaldehydes
3-(2'-spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane	[no description available]	medium	5	0
ammonium sulfate	[no description available]	medium	13	0	ammonium salt; inorganic sulfate salt	fertilizer
calcium phosphate, dibasic, anhydrous	[no description available]	medium	1	0	calcium phosphate
calcium phosphate, monobasic, anhydrous	[no description available]	medium	1	0	calcium phosphate	fertilizer
calcium pyrophosphate	[no description available]	medium	1	0
valinomycin	[no description available]	medium	8	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
bromodeoxyuridine triphosphate	[no description available]	medium	1	0
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	1	0	organosulfur compound; sulfonic acid derivative
cholera toxin, b subunit (50-64)	[no description available]	medium	1	0
ethidium	[no description available]	medium	4	0	phenanthridines	fluorochrome; intercalator
methenamine	[no description available]	medium	1	0	polyazaalkane; polycyclic cage; tetramine	antibacterial drug
peptide t	[no description available]	medium	1	0
hen egg lysozyme peptide (46-61)	[no description available]	medium	1	0
nitrous acid	[no description available]	medium	2	0	nitrogen oxoacid
chromomycin a3	[no description available]	medium	1	0
neuromedin c	[no description available]	medium	1	0
sodium tungstate(vi)	[no description available]	medium	1	0	inorganic sodium salt	reagent
12-hydroxy-5,8,10,14-eicosatetraenoic acid	[no description available]	medium	4	0
4-(3-(biotinylaminohexamethylenaminocarbonyl)propanoylaminomethyl)-2-methyl-1,3-dithiolane-2-yl-(ala(7))phalloidin	[no description available]	medium	9	0
1,2-didecanoylglycerol	[no description available]	medium	1	0	1,2-diglyceride; decanoate ester
succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone	[no description available]	medium	1	0
bis(sulfosuccinimidyl)suberate	[no description available]	medium	2	0
5,11-methenyltetrahydrohomofolate	[no description available]	medium	1	0
penicillanic acid	[no description available]	medium	2	0	penicillanic acids
phencyclidine	[no description available]	medium	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
tyrosyl-arginyl-phenylalanyl-lysinamide	[no description available]	medium	3	0
arginine glutamate	[no description available]	medium	1	0	glutamic acid derivative
ammonium acetate	[no description available]	medium	2	0	acetate salt; ammonium salt	buffer; food acidity regulator
succinyl-alanyl-alanyl-prolyl-phenylalanine-4-nitroanilide	[no description available]	medium	1	0
sodium borate	[no description available]	medium	1	0
dinitrofluorobenzene	[no description available]	medium	4	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
transforming growth factor alpha	[no description available]	medium	2	0
1,2-dioxetane	[no description available]	medium	4	0
s-2-aminoethyl cysteine	[no description available]	medium	2	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor
pyrrolidonecarboxylic acid	[no description available]	medium	2	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
pyridoxamine phosphate	[no description available]	medium	1	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
peptide nucleic acid, t10-lysine	[no description available]	medium	1	0
5-methyldeoxycytidine	[no description available]	medium	1	0	2'-deoxycytidine
lanthiopeptin	[no description available]	medium	1	0	heterodetic cyclic peptide; L-cysteine thioether; macrocycle; type B lantibiotic
trehalose	[no description available]	medium	1	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
biuret	[no description available]	medium	1	0	condensed ureas
bicinchoninic acid	[no description available]	medium	1	0
phorbol 12,13-dibutyrate	[no description available]	medium	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
cytochalasin b	[no description available]	medium	4	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
pyruvaldehyde	[no description available]	medium	1	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diacetyldichlorofluorescein	[no description available]	medium	1	0
n-glycolylneuraminyllactosylceramide	[no description available]	medium	2	0	sialotriaosylceramide	tumour antigen
rhodamine 123	[no description available]	medium	1	0	organic cation; xanthene dye	fluorochrome
ammonium nickel sulfate	[no description available]	medium	1	0	ammonium salt; metal sulfate; nickel coordination entity
delphinidin	[no description available]	medium	11	0	anthocyanidin chloride
cis-vaccenic acid	[no description available]	medium	1	0	vaccenic acid
palmitoleic acid	[no description available]	medium	2	0	hexadec-9-enoic acid	algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite
systemin	[no description available]	medium	1	0
motilin	[no description available]	medium	1	0
enkephalin, methionine	[no description available]	medium	2	0
penicillin v	[no description available]	medium	2	0	penicillin allergen; penicillin
psychosine	[no description available]	medium	1	0	glycosylsphingoid	human metabolite
guanylyl imidodiphosphate	[no description available]	medium	2	0	nucleoside triphosphate analogue
somatostatin 28, leu(8)-trp(22)-iodo-tyr(25)-	[no description available]	medium	1	0
somatostatin, tyr(11)-	[no description available]	medium	1	0
dynorphin (1-8)	[no description available]	medium	1	0
hypoxanthine	[no description available]	medium	2	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
pyrazines	[no description available]	medium	2	0	diazine; pyrazines	Daphnia magna metabolite
org 2766	[no description available]	medium	1	0
swainsonine	[no description available]	medium	3	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
4-methylumbelliferyl phosphate	[no description available]	medium	3	0
crotonyl-coenzyme a	[no description available]	medium	1	0	but-2-enoyl-CoA
1,2-dilauroylphosphatidylcholine	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine(1+)
eledoisin	[no description available]	medium	1	0	peptide
lipid a	[no description available]	medium	4	0	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
cord factors	[no description available]	medium	1	0
omega-conotoxin (conus magus)	[no description available]	medium	1	0
s6c sarafotoxin	[no description available]	medium	1	0
arginine vasopressin	[no description available]	medium	12	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
n,n,n',n'-tetramethylbenzidine	[no description available]	medium	1	0
isometamidium chloride	[no description available]	medium	1	0	organic molecular entity
benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide	[no description available]	medium	1	0
benzyloxycarbonyl-phenylalanylarginine-4-methylcoumaryl-7-amide	[no description available]	medium	1	0
brine	[no description available]	medium	1	0
4-(n,n-dimethylaminoazobenzene)-4'-isothiocyanate	[no description available]	medium	1	0
n-acetyltryptophanamide	[no description available]	medium	1	0	acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	1	0	organic molecular entity
4-nitrophenylphosphate	[no description available]	medium	2	0	aryl phosphate	mouse metabolite
attophos	[no description available]	medium	1	0
fibrinopeptide a	[no description available]	medium	1	0
endothelin (16-21)	[no description available]	medium	1	0	peptide
1,3,4,6-tetrachloro-3 alpha,6 alpha-diphenylglycoluril	[no description available]	medium	3	0
dimethylacetamide	[no description available]	medium	1	0	acetamides; monocarboxylic acid amide	human metabolite
n-succinimidyl propionate	[no description available]	medium	1	0
zidovudine triphosphate	[no description available]	medium	1	0
ammonium hydroxide	[no description available]	medium	2	0	inorganic hydroxy compound	food acidity regulator
4-iodophenol	[no description available]	medium	3	0	iodophenol
potassium iodide	[no description available]	medium	1	0	potassium salt	expectorant; radical scavenger
tebufenozide	[no description available]	medium	1	0	carbohydrazide	ecdysone agonist; environmental contaminant; xenobiotic
ristocetin	[no description available]	medium	1	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
thiodigalactoside	[no description available]	medium	1	0
2-n-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine	[no description available]	medium	2	0
cdw17 antigen	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
2-chloro-3'-deoxyadenosine	[no description available]	medium	1	0
formycins	[no description available]	medium	1	0
formycin 5'-phosphate	[no description available]	medium	1	0
methyl parathion	[no description available]	medium	1	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
thromboxane a2	[no description available]	medium	1	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
sulotroban	[no description available]	medium	1	0
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	1	0
sq 29548	[no description available]	medium	1	0
2,4-dichlorophenoxyacetic acid	[no description available]	medium	3	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
chromomycins	[no description available]	medium	1	0
5-bromouridine triphosphate	[no description available]	medium	1	0	organobromine compound; pyrimidine ribonucleoside 5'-triphosphate
gadolinium chloride	[no description available]	medium	1	0	gadolinium coordination entity	TRP channel blocker
alendronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
salicylates	[no description available]	medium	2	0	monohydroxybenzoate	plant metabolite
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
benzamidine	[no description available]	medium	2	0	benzenes; carboxamidine	serine protease inhibitor
rmp 7	[no description available]	medium	1	0
thrombin receptor peptide (42-55)	[no description available]	medium	1	0
tetramethylrhodamine iodoacetamide	[no description available]	medium	1	0
adenosine-3',5'-cyclic phosphorothioate	[no description available]	medium	1	0	nucleoside 3',5'-cyclic phosphorothioate
ethylene glycolylbis(succinimidyl succinate)	[no description available]	medium	1	0
methyl malonate	[no description available]	medium	1	0
benzoylecgonine	[no description available]	medium	1	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
digitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid
prostaglandins b	[no description available]	medium	1	0
prostaglandin b2	[no description available]	medium	1	0	prostaglandins B	human metabolite
3-(2'-(spiro-5-chloroadamantane))-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane	[no description available]	medium	1	0
beta-naltrexamine	[no description available]	medium	1	0
nitroarginine	[no description available]	medium	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
7-methylguanosine	[no description available]	medium	1	0	methylguanosine; organic cation	metabolite
1-monooleoyl-rac-glycerol	[no description available]	medium	1	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
n-4-nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine	[no description available]	medium	1	0
cytidylyl-3'-5'-guanosine	[no description available]	medium	1	0	(3'->5')-dinucleotide
lithium chloride	[no description available]	medium	2	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
fructose-1,6-diphosphate	[no description available]	medium	2	0
1-octanol	[no description available]	medium	3	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
n-acetylmannosamine	[no description available]	medium	1	0
cgp 52411	[no description available]	medium	2	0	phthalimides	geroprotector; tyrosine kinase inhibitor
pd 153035	[no description available]	medium	1	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
iminodiacetic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)fluorescein	[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
ovalicin	[no description available]	medium	1	0
15-hydroxy-5,8,11,13-eicosatetraenoic acid	[no description available]	medium	2	0
gyki 52466	[no description available]	medium	1	0	benzodiazepine
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
hexamethonium	[no description available]	medium	2	0	quaternary ammonium salt
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
nogalamycin	[no description available]	medium	1	0
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
pyrrolidine dithiocarbamate	[no description available]	medium	1	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
potassium phosphate	[no description available]	medium	2	0	inorganic phosphate salt; inorganic potassium salt
asbestos, crocidolite	[no description available]	medium	1	0
monoisoamyl-2,3-dimercaptosuccinate	[no description available]	medium	1	0
succimer	[no description available]	medium	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
arachidonic acid	[no description available]	medium	4	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
amanitins	[no description available]	medium	4	0
s-methylisothiopseudouronium	[no description available]	medium	1	0
etiron	[no description available]	medium	1	0
isothiuronium	[no description available]	medium	1	0
n(g)-iminoethylornithine	[no description available]	medium	1	0	L-alpha-amino acid
s-methylthiocitrulline	[no description available]	medium	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
diethylhexyl phthalate	[no description available]	medium	1	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
3,3'-dipropyl-2,2'-thiadicarbocyanine	[no description available]	medium	1	0
alx40 4c	[no description available]	medium	1	0
vasotocin	[no description available]	medium	3	0
4-methylumbelliferyl-galactopyranoside	[no description available]	medium	2	0	beta-D-galactoside; coumarins; monosaccharide derivative	chromogenic compound
glycoluril	[no description available]	medium	1	0	azabicycloalkane; ureas
tropolone	[no description available]	medium	1	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
beta-thujaplicin	[no description available]	medium	1	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
transportan	[no description available]	medium	1	0
mastoparan	[no description available]	medium	1	0	mastoparans; peptidyl amide	antimicrobial agent
eosine i bluish	[no description available]	medium	1	0	organic sodium salt	fluorescent dye; histological dye
phenyl-n-tert-butylnitrone	[no description available]	medium	2	0
simazine	[no description available]	medium	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
argininamide	[no description available]	medium	1	0	amino acid amide; guanidines; L-arginine derivative
sebacic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
keratan sulfate	[no description available]	medium	2	0
alanylalanine	[no description available]	medium	1	0	dipeptide
1,1'-dipropyl-3,3,3',3'-tetramethylindocarbocyanine	[no description available]	medium	1	0
n(6)-cyclohexyladenosine	[no description available]	medium	2	0
sym-trinitrobenzene	[no description available]	medium	1	0	trinitrobenzene	explosive
n-acetylaspartic acid	[no description available]	medium	1	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
dithiobis(succinimidylpropionate)	[no description available]	medium	1	0
2-amino-5,6-dihydro-6-methyl-4h-1,3-thiazine	[no description available]	medium	1	0	1,3-thiazine
uric acid	[no description available]	medium	2	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
1,2-dioctanoylglycerol	[no description available]	medium	2	0
piperidine	[no description available]	medium	2	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0	stilbenoid
o-phthalaldehyde	[no description available]	medium	1	0	benzaldehydes; dialdehyde	epitope
3-mercaptopropionic acid	[no description available]	medium	2	0	mercaptopropanoic acid	algal metabolite
eponemycin	[no description available]	medium	1	0
dihydroeponemycin	[no description available]	medium	1	0
tyrosyl-alanyl-glycine	[no description available]	medium	1	0
technetium tc 99m mertiatide	[no description available]	medium	1	0
glyoxal	[no description available]	medium	2	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
triolein	[no description available]	medium	1	0	triglyceride	Caenorhabditis elegans metabolite; plant metabolite
aluminum fluoride	[no description available]	medium	1	0	aluminium coordination entity
4-carboxyfluorescein	[no description available]	medium	1	0	monocarboxylic acid	fluorochrome
allosamidin	[no description available]	medium	1	0
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
1-(aminoethyl)phosphonic acid	[no description available]	medium	1	0	phosphonoacetic acid
ganglio-n-triaosylceramide	[no description available]	medium	2	0
1-bromohexane	[no description available]	medium	1	0
adenylyl imidodiphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate
p(3)-1-(2-nitro)phenylethyladenosine 5'-triphosphate	[no description available]	medium	1	0
etidronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
n-(mercaptoacetyl)glycine	[no description available]	medium	1	0
deamino arginine vasopressin	[no description available]	medium	1	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
1-pyrenebutyrate	[no description available]	medium	1	0
6-carboxyfluorescein diacetate	[no description available]	medium	1	0
7-hydroxycoumarin-3-carboxylic acid	[no description available]	medium	1	0
7-nitroindazole	[no description available]	medium	1	0
indazoles	[no description available]	medium	1	0	indazole
5-fluorouridine	[no description available]	medium	1	0	organofluorine compound; uridines	mutagen
ethyl methanesulfonate	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
technetium tc 99m exametazime	[no description available]	medium	3	0
prostaglandin f1	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite
phenylarsonous acid	[no description available]	medium	1	0	arsonous acids
ryanodine	[no description available]	medium	1	0
delta-philanthotoxin	[no description available]	medium	1	0
acrylodan	[no description available]	medium	1	0
hoe 694	[no description available]	medium	1	0
alcian blue	[no description available]	medium	1	0
1-methyladenine	[no description available]	medium	1	0
mibolerone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid	anabolic agent; androgen
norgestrel	[no description available]	medium	1	0
clobetasol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist
deflazacort	[no description available]	medium	1	0	corticosteroid hormone
proctolin	[no description available]	medium	1	0
phenylalanyl-leucyl-arginyl phenylalaninamide	[no description available]	medium	1	0
uranyl acetate	[no description available]	medium	1	0
hexadecylamine	[no description available]	medium	1	0	alkylamine
n-azidoacetylmannosamine	[no description available]	medium	1	0
barium	[no description available]	medium	2	0	alkaline earth metal atom; elemental barium
linoleic acid	[no description available]	medium	4	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
2-(trifluoromethyl)acrylic acid	[no description available]	medium	1	0
ethylene dimethacrylate	[no description available]	medium	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
alpha-linolenic acid	[no description available]	medium	2	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
hexamethyldisiloxane	[no description available]	medium	1	0	organosiloxane
angiotensinogen	[no description available]	medium	1	0
molybdopterin guanine dinucleotide	[no description available]	medium	1	0
oleylamide	[no description available]	medium	1	0	primary fatty amide	human metabolite; plant metabolite
gliclazide	[no description available]	medium	1	0
s-ethyl glutathione	[no description available]	medium	1	0	oligopeptide
4,7-bis(chlorosulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid	[no description available]	medium	8	0
2-azidoadenosine	[no description available]	medium	1	0
nuclear yellow	[no description available]	medium	1	0
technetium tc 99m pentetate	[no description available]	medium	1	0
maitotoxin	[no description available]	medium	1	0
quisqualic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	1	0	nucleoside triphosphate analogue
4-(n-(s-glutathionylacetyl)amino)phenylarsenoxide	[no description available]	medium	2	0	glutathione derivative
halichondrin b	[no description available]	medium	1	0	furopyran
er-086526	[no description available]	medium	1	0	cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound	antineoplastic agent; microtubule-destabilising agent
cellulose triacetate	[no description available]	medium	1	0
cyclopentenone	[no description available]	medium	1	0	alicyclic ketone; enone	Hsp70 inducer
octadecane	[no description available]	medium	1	0	long-chain alkane	bacterial metabolite; plant metabolite
sr 142801	[no description available]	medium	1	0
senktide	[no description available]	medium	1	0
sr 140333	[no description available]	medium	1	0
quinuclidines	[no description available]	medium	1	0	quinuclidines; saturated organic heterobicyclic parent
quinolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
succinoglycan	[no description available]	medium	1	0
antimycin	[no description available]	medium	1	0
antimycin a	[no description available]	medium	3	0	amidobenzoic acid
etorphine	[no description available]	medium	1	0
chapso	[no description available]	medium	1	0
1-phenylimidazole	[no description available]	medium	1	0
hexaamminecobalt(ii)	[no description available]	medium	1	0
phenylalanyl-prolyl-arginine methyl chloride	[no description available]	medium	1	0
phosphoribosyl-n-formylglycineamide	[no description available]	medium	1	0
indole-3-acetaldehyde	[no description available]	medium	1	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pkh 26	[no description available]	medium	1	0
kinetin	[no description available]	medium	1	0	6-aminopurines; furans	cytokinin; geroprotector
15-crown-5	[no description available]	medium	1	0	crown ether; saturated organic heteromonocyclic parent
n-hydroxysulfosuccinimide	[no description available]	medium	1	0
1-naphthaleneacetic acid	[no description available]	medium	1	0	naphthylacetic acid	synthetic auxin
3,5,6-trichloro-2-pyridinol	[no description available]	medium	1	0	chloropyridine; hydroxypyridine; pyridone	human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite
uridine diphosphate galactose	[no description available]	medium	1	0	UDP-D-galactose	mouse metabolite
uridine diphosphate n-acetylglucosamine	[no description available]	medium	1	0
acid citrate dextrose	[no description available]	medium	1	0
2-cyano-n-((ethylamino)carbonyl)-2-(methoxyimino)acetamide	[no description available]	medium	1	0
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
4-(4-dimethylaminophenylazo)benzoic acid	[no description available]	medium	1	0
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
n-succinimidyl 3-(trimethylstannyl)benzoate	[no description available]	medium	1	0
5-bromo-4-chloro-3-indolyl beta-galactoside	[no description available]	medium	1	0	beta-D-galactoside; D-aldohexose derivative; indolyl carbohydrate; organobromine compound; organochlorine compound	chromogenic compound
1,2-cyclohexanedione	[no description available]	medium	1	0	cyclohexanedione
gastrin-releasing peptide	[no description available]	medium	3	0
diethylenetriaminetetraacetic acid	[no description available]	medium	1	0
cholesterylamine	[no description available]	medium	1	0
parthenolide	[no description available]	medium	1	0	germacranolide
alamethicin	[no description available]	medium	1	0
sorbic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
1,3-dibromo-5,5-dimethylhydantoin	[no description available]	medium	1	0
bromine	[no description available]	medium	1	0	diatomic bromine
hydantoins	[no description available]	medium	2	0	imidazolidine-2,4-dione
mevalonic acid	[no description available]	medium	3	0	3,5-dihydroxy-3-methylpentanoic acid
3-(n-maleimidopropionyl)biocytin	[no description available]	medium	3	0	peptide
kojic acid	[no description available]	medium	1	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
methicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
cloxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
phenylmethylsulfonyl fluoride	[no description available]	medium	2	0	acyl fluoride	serine proteinase inhibitor
phosphoenolpyruvate	[no description available]	medium	6	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
cephalosporin c	[no description available]	medium	1	0	cephalosporin	fungal metabolite
uranium	[no description available]	medium	2	0	actinoid atom; f-block element atom; monoatomic uranium
chlorates	[no description available]	medium	3	0	chlorine oxoanion; monovalent inorganic anion
nitrosoguanidines	[no description available]	medium	3	0
cystathionine	[no description available]	medium	1	0	cysteine derivative
diuron	[no description available]	medium	2	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
hydroxylysine	[no description available]	medium	1	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
lysyl-aspartyl-glutamyl-leucine	[no description available]	medium	1	0
dodecyloctaethyleneglycol monoether	[no description available]	medium	1	0	hydroxypolyether
1,2-dimyristoylphosphatidylethanolamine	[no description available]	medium	3	0
docusate	[no description available]	medium	1	0	diester; organosulfonic acid
cholesteryl oleate	[no description available]	medium	1	0	CE(18:1); cholesteryl octadec-9-enoate	mouse metabolite
thymidine monophosphate	[no description available]	medium	1	0	thymidine 5'-monophosphate	fundamental metabolite
4-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls
6-hydroxybenzothiazole	[no description available]	medium	1	0
18-hydroxycorticosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
18-oxocortisol	[no description available]	medium	1	0
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
n-(1-naphthyl)ethylenediamine	[no description available]	medium	1	0	N-substituted diamine
diethyl pyrocarbonate	[no description available]	medium	1	0	acyclic carboxylic anhydride
elaidic acid	[no description available]	medium	1	0	octadec-9-enoic acid	food component
15-keto-13,14-dihydroprostaglandin e2	[no description available]	medium	1	0	prostaglandins E
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	medium	2	0	ketone; prostaglandins Falpha	metabolite
leupeptin	[no description available]	medium	2	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
3-iodoaniline	[no description available]	medium	1	0
3-bromoaniline	[no description available]	medium	1	0
benzoylarginine nitroanilide	[no description available]	medium	1	0
agmatine	[no description available]	medium	1	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	1	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
angiotensin i	[no description available]	medium	2	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
uridine monophosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
4-phenylenediamine	[no description available]	medium	1	0	phenylenediamine	allergen; dye; hapten; reagent
forssman glycolipid	[no description available]	medium	1	0
europium cryptate	[no description available]	medium	1	0
2'-deoxyuridylic acid	[no description available]	medium	1	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
btm 1042	[no description available]	medium	1	0
cymantrene	[no description available]	medium	1	0
trinitrobenzenesulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
methylnitronitrosoguanidine	[no description available]	medium	2	0	nitroso compound	alkylating agent
thimerosal	[no description available]	medium	1	0	alkylmercury compound	antifungal drug; antiseptic drug; disinfectant; drug allergen
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant 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
rimorphin	[no description available]	medium	1	0
formamide	[no description available]	medium	1	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
dynorphins	[no description available]	medium	1	0
succinic anhydride	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; tetrahydrofurandione
acetoxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes	carcinogenic agent; mutagen
4-toluenesulfinic acid	[no description available]	medium	1	0
11-cis-retinal	[no description available]	medium	1	0	retinal	chromophore; human metabolite; mouse metabolite
sodium fluoride	[no description available]	medium	1	0	fluoride salt	mutagen
galactose	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	1	0	benzazepine; catechols; secondary amino compound
1h-3-benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-	[no description available]	medium	1	0	benzazepine
sodium bisulfite	[no description available]	medium	4	0	inorganic sodium salt; sulfite salt	allergen; food antioxidant; food colour retention agent; mutagen; reducing agent
hydroxysuccinimidyl-4-azidobenzoate	[no description available]	medium	1	0
sch 23982	[no description available]	medium	1	0
lhrh, biotin-lys(6)-	[no description available]	medium	3	0
buserelin	[no description available]	medium	1	0	oligopeptide
mast cell degranulating peptide	[no description available]	medium	1	0
lypressin	[no description available]	medium	1	0	cyclic peptide
corticotropin-like intermediate lobe peptide	[no description available]	medium	1	0
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
4-hydroxymercuribenzoate	[no description available]	medium	1	0
lipoyl-4-aminobenzoic acid	[no description available]	medium	1	0
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
3-maleimidobenzoyl n-hydroxysuccinimide	[no description available]	medium	1	0
n-succinimidyl 3-(2-pyridyldithio)propionate	[no description available]	medium	1	0
l 451167	[no description available]	medium	1	0
carbobenzoxycarbonyl-l-phenylalanyl-l-alanine-d-diazomethane	[no description available]	medium	1	0
4-nitrobenzenesulfonyl fluoride	[no description available]	medium	1	0
epitestosterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
polygalacturonic acid	[no description available]	medium	1	0	D-galacturonic acid
butylhydroxybutylnitrosamine	[no description available]	medium	1	0	nitrosamine; primary alcohol	carcinogenic agent
hydroxyethyl methacrylate	[no description available]	medium	1	0	enoate ester	allergen; polymerisation monomer
angelicin	[no description available]	medium	1	0	furanocoumarin
mezlocillin	[no description available]	medium	2	0
succinic dihydrazide	[no description available]	medium	1	0
gamma-linolenic acid	[no description available]	medium	1	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
adenosine kinase	[no description available]	medium	1	0
streptothricins	[no description available]	medium	1	0
allylamine	[no description available]	medium	1	0	alkylamine
flumethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
glycidol	[no description available]	medium	1	0	epoxide; primary alcohol
hexamethylene bisacetamide	[no description available]	medium	1	0	acetamides
benzethonium	[no description available]	medium	1	0	alkylbenzene
methylbenzethonium chloride	[no description available]	medium	1	0	alkylbenzene
isoluminol	[no description available]	medium	1	0
w 7	[no description available]	medium	1	0
octamethylenediamine	[no description available]	medium	1	0	alkane-alpha,omega-diamine
4-bromo-2,3-dioxobutyl-coenzyme a	[no description available]	medium	1	0
methionine sulfoximine	[no description available]	medium	1	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
4-deoxypyridoxine	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
n-succinimidyl-3-(4-hydroxyphenyl)propionate	[no description available]	medium	1	0
fructose 2,6-diphosphate	[no description available]	medium	1	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
enkephalin, leucine-2-alanine	[no description available]	medium	1	0
3-methyladenine	[no description available]	medium	1	0
4-chloro-1-naphthol	[no description available]	medium	2	0
epsilon-dinitrophenyllysine	[no description available]	medium	1	0	N(6)-(2,4-dinitrophenyl)lysine
1,2,7,8-diepoxyoctane	[no description available]	medium	1	0	epoxide	mutagen
p-chloromercuribenzoic acid	[no description available]	medium	1	0	chlorine molecular entity; mercuribenzoic acid
1-pyrenyldiazomethane	[no description available]	medium	1	0
sodium iodide	[no description available]	medium	1	0	inorganic sodium salt; iodide salt
chlorophyll a	[no description available]	medium	3	0	chlorophyll; methyl ester	cofactor
1-propanol	[no description available]	medium	2	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
bromoacetate	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
6-ketoprostaglandin f1 alpha	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
p-azobenzenearsonate	[no description available]	medium	1	0
methylnitrosourea	[no description available]	medium	2	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
9-diazomethylanthracene	[no description available]	medium	1	0
molybdate ion	[no description available]	medium	1	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
pelargonic acid	[no description available]	medium	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite
4-biphenylamine	[no description available]	medium	1	0	aminobiphenyl	carcinogenic agent
o(6)-methyl-2'-deoxyguanosine	[no description available]	medium	1	0	purine 2'-deoxyribonucleoside
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone	[no description available]	medium	1	0	nitrosamine; pyridines
methyl red	[no description available]	medium	1	0
phytosterols	[no description available]	medium	1	0
2,6-dichloroindophenol	[no description available]	medium	1	0	dichlorobenzene; quinone imine
campesterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols	mouse metabolite
methylcellulose	[no description available]	medium	1	0
homocystine	[no description available]	medium	2	0	amino acid zwitterion; homocystines	human metabolite
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
octadecyl palmitate	[no description available]	medium	1	0	hexadecanoate ester; wax ester	coral metabolite; cosmetic
cyanides	[no description available]	medium	4	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
chlorine	[no description available]	medium	2	0	diatomic chlorine; gas molecular entity	bleaching agent
thiosulfates	[no description available]	medium	2	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
n-pentanol	[no description available]	medium	2	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
furazolidone	[no description available]	medium	1	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
rubidium	[no description available]	medium	1	0	alkali metal atom
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
fusarium	[no description available]	medium	7	0
sabinene	[no description available]	medium	3	0	thujene	plant metabolite
isomethyleugenol	[no description available]	medium	25	0	isomethyleugenol
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone	[no description available]	medium	7	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
cinidon-ethyl	[no description available]	medium	1	0	ethyl ester; isoindoles; monochlorobenzenes	herbicide
guaifenesin	[no description available]	medium	4	0	methoxybenzenes
jaw	[no description available]	medium	8	0	indolecarboxamide
inositol 3-phosphate	[no description available]	medium	2	0
fomesafen	[no description available]	medium	9	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
s,n,n'-tripropylthiocarbamate	[no description available]	medium	4	0	tertiary amine
egg white	[no description available]	medium	53	0
benzothiazide	[no description available]	medium	5	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
torpedo	[no description available]	medium	12	0
eye	[no description available]	medium	5	0
trolamine salicylate	[no description available]	medium	2	0
foxes	[no description available]	medium	1	0
propiconazole	[no description available]	medium	1	0	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
zinc oxide	[no description available]	medium	1	0
clove	[no description available]	medium	1	0
hypericum	[no description available]	medium	1	0	penicillanic acids
exudates	[no description available]	medium	1	0
sodium ethylxanthate	[no description available]	medium	1	0
berlition	[no description available]	low	0	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
4'-phosphopantetheine	[no description available]	low	0	0	pantetheine 4'-phosphate	prosthetic group
7-mercaptoheptanoylthreonine phosphate	[no description available]	low	0	0	L-threonine derivative	coenzyme
sapropterin	[no description available]	low	0	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
sapropterin dihydrochloride	[no description available]	low	0	0	hydrochloride	coenzyme; diagnostic agent
glycocyamine	[no description available]	low	0	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
benphothiamine	[no description available]	low	0	0	aminopyrimidine; formamides; organic phosphate; thioester	antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1
calcium gluconate	[no description available]	low	0	0	calcium salt	nutraceutical
levocarnitine	[no description available]	low	0	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
calcium citrate	[no description available]	low	0	0	organic calcium salt	flavouring agent; food additive; food preservative; nutraceutical
manganese chloride	[no description available]	low	0	0	hydrate; inorganic chloride; manganese coordination entity	MRI contrast agent; nutraceutical
ferric citrate	[no description available]	low	0	0	iron chelate	anti-anaemic agent; nutraceutical
aspartame	[no description available]	low	0	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
7-oxodehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7-oxo steroid; androstanoid	human blood serum metabolite; nutraceutical; prohormone
oleuropein	[no description available]	low	0	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
25-hydroxyvitamin d 2	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
1,25-dihydroxyergocalciferol	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
chromium tripicolinate	[no description available]	low	0	0	chromium coordination entity	anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical
2-oxo-3-methylvalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite
alpha-ketoisovalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
2,3-diphosphoglycerate	[no description available]	low	0	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
2-keto-4-methylvalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
3-hydroxyanthranilic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
3-hydroxykynurenine	[no description available]	low	0	0	hydroxykynurenine	human metabolite
3-oxoadipic acid	[no description available]	low	0	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
3-mercaptopyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; thiol	antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
isocaproaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde	human metabolite; mouse metabolite
5-aminovaleric acid	[no description available]	low	0	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
acetyl phosphate	[no description available]	low	0	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
anthranilic acid	[no description available]	low	0	0	aminobenzoic acid	human metabolite; mouse metabolite
betaine aldehyde	[no description available]	low	0	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
ureidosuccinic acid	[no description available]	low	0	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
trimethylenediamine	[no description available]	low	0	0	alkane-alpha,omega-diamine	human metabolite; mouse metabolite; reagent
pyrrolidonecarboxylic acid	[no description available]	low	0	0	oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid	human metabolite
3,4-dihydroxyphenylacetic acid	[no description available]	low	0	0	catechols; dihydroxyphenylacetic acid	human metabolite
alpha-keto-delta-guanidinovaleric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
dihydrouracil	[no description available]	low	0	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone phosphate	[no description available]	low	0	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone	[no description available]	low	0	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5,6-dimethylbenzimidazole	[no description available]	low	0	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
ethanolamine	[no description available]	low	0	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
gamma-butyrobetaine	[no description available]	low	0	0	amino-acid betaine	Escherichia coli metabolite; human metabolite
alpha-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	algal metabolite; human metabolite
glycolaldehyde	[no description available]	low	0	0	glycolaldehydes	fundamental metabolite; human metabolite
glyoxylic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydrogen cyanide	[no description available]	low	0	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
homogentisic acid	[no description available]	low	0	0	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
itaconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
potassium	[no description available]	low	0	0	alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation	cofactor; human metabolite
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methylmercaptan	[no description available]	low	0	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
n-acetylserotonin	[no description available]	low	0	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
n-methylphenylethanolamine	[no description available]	low	0	0	alkaloid; phenylethanolamines	human metabolite; plant metabolite
n'-acetylspermine	[no description available]	low	0	0	acetamides; acetylspermine	human metabolite
hydroxypyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite
4-hydroxyphenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; phenols	human metabolite
hexadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-hydroxyphenethylamine	[no description available]	low	0	0	phenylethanolamines	human metabolite
2-(4-methyl-1,3-thiazol-5-yl)ethanol	[no description available]	low	0	0	1,3-thiazoles; primary alcohol	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
perillic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
meglutol	[no description available]	low	0	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite
homovanillic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
hydroxyindoleacetic acid	[no description available]	low	0	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
cetyl alcohol	[no description available]	low	0	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
4-cresol	[no description available]	low	0	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
debrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
nordazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
2,5-dihydroxybenzoic acid	[no description available]	low	0	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
tele-methylhistamine	[no description available]	low	0	0	imidazoles; primary amino compound	human metabolite; mouse metabolite
indolepropionic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
3-phenyllactic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
2-amino-3-phosphonopropionic acid	[no description available]	low	0	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
2-phenylglycine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid	human metabolite
succinylacetone	[no description available]	low	0	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
retinoic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; retinoid	human metabolite
cysteine	[no description available]	low	0	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
etiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
desoxycorticosterone	[no description available]	low	0	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
taurocholic acid	[no description available]	low	0	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
skatole	[no description available]	low	0	0	methylindole	human metabolite; mammalian metabolite
quinaldic acid	[no description available]	low	0	0	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
3-methylpentane	[no description available]	low	0	0	alkane; volatile organic compound	allelochemical; human metabolite; non-polar solvent
methylcyclopentane	[no description available]	low	0	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
phosphoribosyl pyrophosphate	[no description available]	low	0	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
1-phenethylamine	[no description available]	low	0	0	phenylethylamine	human metabolite
isethionic acid	[no description available]	low	0	0	alkanesulfonic acid	human metabolite
methylcyclohexane	[no description available]	low	0	0	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite
1-tridecanol	[no description available]	low	0	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
stearyl alcohol	[no description available]	low	0	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
acetol	[no description available]	low	0	0	methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones	Escherichia coli metabolite; human metabolite; mouse metabolite
isopropyl palmitate	[no description available]	low	0	0	fatty acid ester; isopropyl ester	human metabolite
pregnenolone	[no description available]	low	0	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
20-alpha-dihydroprogesterone	[no description available]	low	0	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
homoarginine	[no description available]	low	0	0	homoarginine; L-lysine derivative; non-proteinogenic L-alpha-amino acid	biomarker; EC 3.1.3.1 (alkaline phosphatase) inhibitor; human metabolite; rat metabolite; xenobiotic metabolite
dibenzo(a,l)pyrene	[no description available]	low	0	0	ortho- and peri-fused polycyclic arene	human metabolite; mutagen
diiodotyrosine	[no description available]	low	0	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
3-methoxytyrosine	[no description available]	low	0	0	aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid	human metabolite
4-hydroxyphenyllactic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
4-methylcatechol	[no description available]	low	0	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
ninhydrin	[no description available]	low	0	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite
indican	[no description available]	low	0	0	aryl sulfate; indoles	human metabolite
suberic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
hexadecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
androstenediol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
pyridoxamine dihydrochloride	[no description available]	low	0	0	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
aceturic acid	[no description available]	low	0	0	N-acetyl-amino acid; N-acylglycine	human metabolite
glycylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite
lignoceric acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
2-hydroxybutyric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; hydroxybutyric acid	algal metabolite; human metabolite
3-methylhexane	[no description available]	low	0	0	alkane; volatile organic compound	human metabolite
ethylmalonic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
5-methyl-2-furfural	[no description available]	low	0	0	aldehyde; furans	EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product
2-hexanol	[no description available]	low	0	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
1,1,3,3-tetramethylurea	[no description available]	low	0	0	ureas	human metabolite
glycochenodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
isocaproic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid	human metabolite
dehydroepiandrosterone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
dodecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite
cytidine diphosphate choline	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
1-pentene-3-one	[no description available]	low	0	0	enone	flavouring agent; genotoxin; human metabolite; plant metabolite
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	low	0	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
9,10-epoxystearic acid	[no description available]	low	0	0	epoxystearic acid	human metabolite
5-hydroxyindole	[no description available]	low	0	0	hydroxyindoles	human metabolite
beta-hydroxymyristic acid	[no description available]	low	0	0	3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid	bacterial metabolite; human metabolite
perillaldehyde	[no description available]	low	0	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
tricosanoic acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia magna metabolite; human metabolite; plant metabolite
uridine diphosphate glucuronic acid	[no description available]	low	0	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
tetrahydropapaveroline	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	human metabolite
cyclic cmp	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
furoylglycine	[no description available]	low	0	0	furans; N-acylglycine	human metabolite
3,3',5'-triiodothyronine	[no description available]	low	0	0	iodothyronine	human metabolite
limonene	[no description available]	low	0	0	cycloalkene; p-menthadiene	human metabolite
urobilinogen	[no description available]	low	0	0	bilanes	human 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
iron	[no description available]	low	0	0	divalent metal cation; iron cation; monoatomic dication	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1-methyladenosine	[no description available]	low	0	0	methyladenosine	human metabolite
nonanal	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
pregnanolone	[no description available]	low	0	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
norsalsolinol	[no description available]	low	0	0	isoquinolinol	animal metabolite; apoptosis inducer; human metabolite; marine metabolite
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite
d-lactic acid	[no description available]	low	0	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
xanthosine	[no description available]	low	0	0	purines D-ribonucleoside; xanthosines	Escherichia coli metabolite; human metabolite; mouse metabolite
3-methylhistidine	[no description available]	low	0	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite; Saccharomyces cerevisiae metabolite
homocitrulline	[no description available]	low	0	0	amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas	human metabolite; mouse metabolite
cholesteryl sulfate	[no description available]	low	0	0	steroid sulfate	human metabolite
25-hydroxycholesterol	[no description available]	low	0	0	25-hydroxy steroid; oxysterol	human metabolite
aica ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
n-acetylserine	[no description available]	low	0	0	acetyl-L-serine; N-acetyl-L-amino acid	human metabolite
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
lathosterol	[no description available]	low	0	0	3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol	human metabolite; mouse metabolite
omega-aminocaprylic acid	[no description available]	low	0	0	medium-chain fatty acid; omega-amino fatty acid	human metabolite
parabanic acid	[no description available]	low	0	0	hydracid; imidazolidinone	human metabolite
n-acetyl-l-arginine	[no description available]	low	0	0	N-acetyl-L-amino acid	human metabolite
cystine	[no description available]	low	0	0	cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
6-methyladenine	[no description available]	low	0	0	6-alkylaminopurine; methyladenine	human metabolite
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
hordenine	[no description available]	low	0	0	phenethylamine alkaloid	human metabolite; mouse metabolite
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
plasmenylserine	[no description available]	low	0	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ubiquinone-o	[no description available]	low	0	0	ubiquinones	Escherichia coli metabolite; human metabolite
n-acetylhistamine	[no description available]	low	0	0	acetamides; imidazoles	human metabolite
indole-3-carboxylic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	bacterial metabolite; human metabolite
n-acetylglutamic acid	[no description available]	low	0	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
2,5-dihydroxybenzaldehyde	[no description available]	low	0	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
D-serine	[no description available]	low	0	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
D-alanine	[no description available]	low	0	0	alanine zwitterion; alanine; D-alpha-amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite
2-ketopentanoic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; oxopentanoic acid	human metabolite
hydroxyindoleacetaldehyde	[no description available]	low	0	0	hydroxyindoles; indoleacetaldehyde	human metabolite; mouse metabolite
leucylleucine	[no description available]	low	0	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human metabolite; Mycoplasma genitalium metabolite
5-hydroxymethyluracil	[no description available]	low	0	0	primary alcohol; pyrimidone	human metabolite
12-hydroxydodecanoic acid	[no description available]	low	0	0	omega-hydroxy-medium-chain fatty acid	human metabolite
decane-1,2-diol	[no description available]	low	0	0	glycol; volatile organic compound	anti-inflammatory agent; antioxidant; human metabolite
4-nitrophenyl sulfate	[no description available]	low	0	0	aryl sulfate; C-nitro compound	human metabolite
glucose-1,6-bisphosphate	[no description available]	low	0	0	D-glucose 1,6-bisphosphate	Escherichia coli metabolite; human metabolite
3,4-dihydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite
3-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; phenols	human metabolite
n-acetylalanine	[no description available]	low	0	0	L-alanine derivative; N-acetyl-L-amino acid	human metabolite; Saccharomyces cerevisiae metabolite
17-alpha-hydroxypregnenolone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
cholest-4-en-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite
mephentermine	[no description available]	low	0	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
2-pinene oxide	[no description available]	low	0	0	epoxide; pinane monoterpenoid	bacterial xenobiotic metabolite; fragrance; human metabolite
1-methylhistidine	[no description available]	low	0	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite
3-hydroxybutyric acid	[no description available]	low	0	0	3-hydroxybutyric acid; ketone body	fungal metabolite; human metabolite; pheromone
L-2-aminoadipic acid	[no description available]	low	0	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
testosterone acetate	[no description available]	low	0	0	3-oxo-Delta(4) steroid; androstanoid; sterol ester	human metabolite
phenylacetylglutamine	[no description available]	low	0	0	N(2)-phenylacetylglutamine	human metabolite
5beta-pregnane-3,20-dione	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid	human metabolite; mouse metabolite
zymosterol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
brexanolone	[no description available]	low	0	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
5-alpha-dihydroprogesterone	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen
n-epsilon-acetyllysine	[no description available]	low	0	0	acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine	human metabolite
2-hydroxyhexadecanoic acid	[no description available]	low	0	0	2-hydroxy fatty acid; hydroxypalmitic acid	human metabolite
19-oxo-delta(4) androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid; steroid aldehyde	human metabolite
gamma-glutamylglutamate	[no description available]	low	0	0	dipeptide	human metabolite
indole-3-lactic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; indol-3-yl carboxylic acid	human metabolite
n(alpha)-acetyllysine	[no description available]	low	0	0	acetyl-L-lysine; amino acid zwitterion	human metabolite
glycyl-l-phenylalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
5,6-dihydrothymine	[no description available]	low	0	0	pyrimidone	human metabolite; metabolite; mouse metabolite
gamma-glutamyltyrosine	[no description available]	low	0	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
cholest-5-ene-3 beta,26-diol	[no description available]	low	0	0	26-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
2-hydroxyisovaleric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
aminomalonic acid	[no description available]	low	0	0	amino dicarboxylic acid	Daphnia magna metabolite; human metabolite
zymostenol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite
16-hydroxydehydroepiandrosterone	[no description available]	low	0	0	16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone	human metabolite; mouse metabolite
cortisol 21-sulfate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone	human metabolite
aflatoxin b1-2,3-oxide	[no description available]	low	0	0	aflatoxin	human metabolite
pregnenolone sulfate	[no description available]	low	0	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
3,3'-diiodothyronine	[no description available]	low	0	0	3,3'-diiodothyronine; amino acid zwitterion	human metabolite
l-lactic acid	[no description available]	low	0	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
testosterone 17-glucosiduronate	[no description available]	low	0	0	3-oxo steroid; beta-D-glucosiduronic acid; enone; steroid glucosiduronic acid	human metabolite
3-chloro-L-tyrosine	[no description available]	low	0	0	chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid	biomarker; human metabolite
androsterone glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
selenomethylselenocysteine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
1,5(10)-estradiene-3,4,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(1) steroid; orthoquinones	human metabolite
s-sulphocysteine	[no description available]	low	0	0	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite
estrone-3-glucuronide	[no description available]	low	0	0	17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
3,4-dihydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
1-hydroxyethyl radical	[no description available]	low	0	0	organic anion	human metabolite; Saccharomyces cerevisiae metabolite
(20s)-20-hydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
deoxyhypusine	[no description available]	low	0	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	human metabolite
3,7,12-trihydroxycoprostanic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid	human metabolite
triiodothyronine sulfate	[no description available]	low	0	0	aryl sulfate; O-sulfoamino acid	human metabolite
3,7,12-trihydroxycholestan-26-oic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; hydroxy monocarboxylic acid; steroid acid	human metabolite
erythrose 4-phosphate	[no description available]	low	0	0	erythrose phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
n(8)-acetylspermidine	[no description available]	low	0	0	acetylspermidine	Escherichia coli metabolite; human metabolite
7 alpha-hydroxy-4-cholesten-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid	human metabolite; mouse metabolite
pristanic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	human metabolite
gamma-glutamylcysteine	[no description available]	low	0	0	gamma-glutamylcysteine	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
27-hydroxycholesterol	[no description available]	low	0	0	26-hydroxycholesterol	apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid	[no description available]	low	0	0	dicarboxylic acid; furoic acid	human metabolite; uremic toxin
hypothiocyanite ion	[no description available]	low	0	0	one-carbon compound; sulfur oxoacid	antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite
3-c-methylerythritol	[no description available]	low	0	0	tetritol	human metabolite
succinylacetoacetate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; beta-diketone	human metabolite
isoursodeoxycholic acid	[no description available]	low	0	0	dihydroxy-5beta-cholanic acid	human metabolite
mannitol-1-phosphate	[no description available]	low	0	0	alditol 1-phosphate; hexitol phosphate	Escherichia coli metabolite; human metabolite
kinetensin	[no description available]	low	0	0	oligopeptide	histamine releasing agent; human metabolite
estra-1(10),4-diene-2,3,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(4) steroid; orthoquinones	human metabolite
2'-deoxycytidine diphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n-methylserotonin	[no description available]	low	0	0	phenols; tryptamines	human metabolite; plant metabolite
gamma-glutamylglutamine	[no description available]	low	0	0	dipeptide	human metabolite
3,4-dihydroxybutanoic acid	[no description available]	low	0	0	3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid	human metabolite
n-palmitoylglycine	[no description available]	low	0	0	fatty amide; N-acylglycine 16:0	human metabolite; marine metabolite
gamma-glutamyl-leucine	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ribulose	[no description available]	low	0	0	ribulose	Escherichia coli metabolite; human metabolite
3,4-dihydroxyphenylglycolaldehyde	[no description available]	low	0	0	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin
androsterone sulfate	[no description available]	low	0	0	17-oxo steroid; androstanoid; steroid sulfate	human metabolite; mouse metabolite
3,7,12-trihydroxycoprostane	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
saccharopine	[no description available]	low	0	0	amino acid opine; L-lysine derivative	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allysine	[no description available]	low	0	0	allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
orotidylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
allocholic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid	human metabolite; marine metabolite; rat metabolite
beta-ureidoisobutyric acid	[no description available]	low	0	0	ureidocarboxylic acid	human metabolite; mouse metabolite
kynurenine	[no description available]	low	0	0	amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nicotinate ribonucleoside	[no description available]	low	0	0	ammonium betaine	human metabolite
n(6)-(n-threonylcarbonyl)adenosine	[no description available]	low	0	0	L-threonine derivative; N-(adenosin-N(6)-ylcarbonyl)threonine	Escherichia coli metabolite; human metabolite
sedoheptulose 7-phosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; human metabolite; mouse metabolite
histidinol	[no description available]	low	0	0	amino alcohol; imidazoles	EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol	[no description available]	low	0	0	3beta-sterol	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
bradykinin, des-phe(8)-des-arg(9)-	[no description available]	low	0	0	oligopeptide	human metabolite; rat metabolite
isobutyryl-1-carnitine	[no description available]	low	0	0	methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
threitol	[no description available]	low	0	0	threitol	human metabolite
aceglutamide	[no description available]	low	0	0	N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine	human metabolite
isospaglumic acid	[no description available]	low	0	0	dipeptide	human metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
2-ethylhydracrylic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid	human metabolite
2-methyl-3-oxovaleric acid	[no description available]	low	0	0	3-oxo monocarboxylic acid	human metabolite
monoacetylcadaverine	[no description available]	low	0	0	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite
beta-citrylglutamic acid	[no description available]	low	0	0	N-acyl-L-glutamic acid; tetracarboxylic acid	human metabolite; iron chelator
maltotriose	[no description available]	low	0	0	maltotriose trisaccharide	human metabolite
cholestane-3,7,12,26-tetrol	[no description available]	low	0	0	12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
beta-leucine	[no description available]	low	0	0	beta-amino acid	human metabolite
2-methylbutyrylglycine	[no description available]	low	0	0	N-acylglycine	human metabolite
neurotensin (1-8)	[no description available]	low	0	0	peptide zwitterion; peptide	human metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cholesteryl palmitate	[no description available]	low	0	0	cholesteryl ester	human metabolite; mouse metabolite
lanosterol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
5-hydroxyisourate	[no description available]	low	0	0	oxopurine	human metabolite; mouse metabolite
5-formyluracil	[no description available]	low	0	0	aldehyde; nucleobase analogue; pyrimidone	human metabolite; mutagen
taurochenodeoxycholic acid	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite; mouse metabolite
isomaltose	[no description available]	low	0	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
glucosamine 6-phosphate	[no description available]	low	0	0	2-amino-2-deoxy-D-glucopyranose 6-phosphate	human metabolite; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan	[no description available]	low	0	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
dopaquinone	[no description available]	low	0	0	1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative	human metabolite; mouse metabolite
tryptophanamide	[no description available]	low	0	0	amino acid amide; tryptophan derivative	human metabolite
5-diphosphomevalonic acid	[no description available]	low	0	0	carboxyalkyl phosphate	human metabolite; mouse metabolite
cysteinylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
desmosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid	human metabolite; mouse metabolite
monoiodotyrosine	[no description available]	low	0	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
fuculose 1-phosphate	[no description available]	low	0	0	deoxyaldohexose phosphate	human metabolite
nicotinamide-beta-riboside	[no description available]	low	0	0	N-glycosylnicotinamide; pyridine nucleoside	geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-hydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
trimethyllysine	[no description available]	low	0	0	alpha-amino-acid cation	human metabolite; mouse metabolite
inositol 3,4-bisphosphate	[no description available]	low	0	0	myo-inositol bisphosphate	human metabolite; mouse metabolite
n-acetylglucosamine-1-phosphate	[no description available]	low	0	0	N-acetyl-D-glucosamine 1-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
24,25-dihydrolanosterol	[no description available]	low	0	0	3beta-sterol; tetracyclic triterpenoid	human metabolite; mouse metabolite
2-hydroxyestrone	[no description available]	low	0	0	2-hydroxy steroid; catechols	human metabolite
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
estradiol-3-glucuronide	[no description available]	low	0	0	17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
acetyl adenylate	[no description available]	low	0	0	5'-acylphosphoadenosin	human metabolite; mouse metabolite
epiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
4,4-dimethylcholesta-8,14,24-trienol	[no description available]	low	0	0	3beta-sterol; Delta(14) steroid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
enkephalin, methionine	[no description available]	low	0	0	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist
7-ketolithocholic acid	[no description available]	low	0	0	3alpha-hydroxy steroid; bile acid; monohydroxy-5beta-cholanic acid; oxo-5beta-cholanic acid	human metabolite
dephosphocoenzyme a	[no description available]	low	0	0	adenosine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
3-hydroxy-3-methylglutaryl-coenzyme a	[no description available]	low	0	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
ribothymidine	[no description available]	low	0	0	methyluridine	antigen; Escherichia coli metabolite; human metabolite
tetragastrin	[no description available]	low	0	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
hexanoyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; human metabolite; mouse metabolite
tyrosine o-sulfate	[no description available]	low	0	0	aryl sulfate; L-tyrosine derivative; O-sulfoamino acid	human metabolite
squalene	[no description available]	low	0	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
thyrotropin-releasing hormone	[no description available]	low	0	0	peptide hormone; tripeptide	human metabolite
n-methylproline	[no description available]	low	0	0	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite
citraconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
mannose 1-phosphate	[no description available]	low	0	0	mannose phosphate	fundamental metabolite; human metabolite
glycerylphosphorylcholine	[no description available]	low	0	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
urocanic acid	[no description available]	low	0	0	urocanic acid	human metabolite
cysteine sulfinic acid	[no description available]	low	0	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
cholesterol acetate	[no description available]	low	0	0	acetate ester; cholesteryl ester	human metabolite
1,6-anhydro-beta-glucopyranose	[no description available]	low	0	0	anhydrohexose	Arabidopsis thaliana metabolite; biomarker; human metabolite
glycylvaline	[no description available]	low	0	0	dipeptide	human metabolite
sodium taurodeoxycholate	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite
glycodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
isobutyryl-coenzyme a	[no description available]	low	0	0	methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA	human metabolite; mouse metabolite
galactaric acid	[no description available]	low	0	0	hexaric acid	human metabolite
dihydroxycoprostane	[no description available]	low	0	0	3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
angiotensin i, ile(5)-	[no description available]	low	0	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
fructosyl-glycine	[no description available]	low	0	0	fructosamine; glycine derivative; glyco-amino acid	human metabolite
arachidoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	human metabolite
lignoceroyl-coenzyme a	[no description available]	low	0	0	very long-chain fatty acyl-CoA	human metabolite; Saccharomyces cerevisiae metabolite
5-hydroxybenzimidazole	[no description available]	low	0	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
n-carbamylglutamate	[no description available]	low	0	0	glutamic acid derivative; ureas	human metabolite
citramalate	[no description available]	low	0	0	dicarboxylic acid dianion	human metabolite; plant metabolite
4-cresol sulfate	[no description available]	low	0	0	aryl sulfate	gut flora metabolite; human metabolite; uremic toxin
bilirubin	[no description available]	low	0	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
leukotriene a4	[no description available]	low	0	0	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite
prostaglandin b1	[no description available]	low	0	0	prostaglandins B	human metabolite
ubiquinone 9	[no description available]	low	0	0	ubiquinones	antioxidant; human metabolite
leukotriene c4	[no description available]	low	0	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin f2beta	[no description available]	low	0	0	prostaglandins Fbeta	human metabolite
15-keto-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite
15-hydroxy-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,11Z,13E)-15-HETE	human metabolite; mouse metabolite
5-hydroxy-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE	human metabolite; mouse metabolite
leukotriene d4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin g2	[no description available]	low	0	0	prostaglandins G	human metabolite; mouse metabolite
9-deoxy-delta-9-prostaglandin d2	[no description available]	low	0	0	prostaglandins J	human metabolite
prostaglandin e3	[no description available]	low	0	0	prostaglandins E	human metabolite
leukotriene f-4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	human metabolite
previtamin d(3)	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol	human metabolite
brassicasterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor
retinoyl beta-glucuronide	[no description available]	low	0	0	glucuronic acids; retinoid	human metabolite
prostaglandin d3	[no description available]	low	0	0	prostaglandins D	human metabolite
tocotrienol, alpha	[no description available]	low	0	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
11-ketotestosterone	[no description available]	low	0	0	11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; human metabolite; marine xenobiotic metabolite
menatetrenone	[no description available]	low	0	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
phthioic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid	Aspergillus metabolite; human metabolite
2-decenoic acid	[no description available]	low	0	0	2-decenoic acid	human metabolite
9,11-linoleic acid	[no description available]	low	0	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
17-phenyltrinorprostaglandin e2	[no description available]	low	0	0	alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol	human metabolite; prostaglandin receptor agonist
thromboxane b3	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid; HETE	human metabolite; pro-angiogenic agent
20-hydroxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE; hydroxy monocarboxylic acid	human metabolite; mouse metabolite
5-oxo-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite; immunomodulator; mouse metabolite
8-isoprostaglandin e2	[no description available]	low	0	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
monolinolein	[no description available]	low	0	0	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite
1,25-dihydroxy-24-oxo-vitamin d3	[no description available]	low	0	0	hydroxycalciol; oxocalciol; tertiary alpha-hydroxy ketone	human metabolite
hyodeoxycholic acid	[no description available]	low	0	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
cerium	[no description available]	low	0	0	CE(18:2); cholesteryl octadeca-9,12-dienoate	human metabolite; mouse metabolite
xylulose	[no description available]	low	0	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
11-dehydrocorticosterone	[no description available]	low	0	0	11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
1-butyl oleate	[no description available]	low	0	0	fatty acid ester	human metabolite
8-hydroxyadenine	[no description available]	low	0	0	6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine	bacterial metabolite; human metabolite
erucyl amide	[no description available]	low	0	0	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite
vitamin mk 8	[no description available]	low	0	0	menaquinone	Escherichia coli metabolite; human metabolite
2,3-oxidosqualene	[no description available]	low	0	0	2,3-epoxysqualene	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-keto-4-hydroxyglutarate	[no description available]	low	0	0	oxo dicarboxylate	human metabolite; Saccharomyces cerevisiae metabolite
iditol	[no description available]	low	0	0	iditol	fungal metabolite; human metabolite
glutamate	[no description available]	low	0	0	glutamate(1-); polar amino acid zwitterion	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; human metabolite; Saccharomyces cerevisiae metabolite
cerotate	[no description available]	low	0	0	fatty acid anion 26:0; omega-methyl fatty acid anion; very long-chain fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
adenosine triphosphate	[no description available]	low	0	0	nucleoside 5'-triphoshate(4-)	cofactor; fundamental metabolite; human metabolite
3-methylbutyrylcarnitine	[no description available]	low	0	0	C5-acylcarnitine	human metabolite
hexanoylcarnitine	[no description available]	low	0	0	hexanoate ester; O-acylcarnitine	human metabolite
linoleamide	[no description available]	low	0	0	primary fatty amide	human metabolite
13-cis-retinal	[no description available]	low	0	0	retinal	human metabolite
4-hydroxyretinoic acid	[no description available]	low	0	0	retinoid; secondary allylic alcohol	human metabolite
4-oxo-2-nonenal	[no description available]	low	0	0	enal; enone	human metabolite
20,22-dihydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol	human metabolite; mouse metabolite
biotinate	[no description available]	medium	0	0	monocarboxylic acid anion; vitamin B7	cofactor; human metabolite; Saccharomyces cerevisiae metabolite
6 beta-hydroxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe
fuculose	[no description available]	low	0	0	deoxyketohexose	Escherichia coli metabolite; human metabolite
gamma-glutamylvaline	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ophthalmic acid	[no description available]	low	0	0	L-glutamine derivative	biomarker; human metabolite
adenosine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	fundamental metabolite; human metabolite
cyclic amp	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
1,23,25-trihydroxyvitamin d3	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; hydroxycalciol; tetrol	human metabolite
arachidonoylserotonin	[no description available]	low	0	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
homocarnosine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
3-hydroxyproline	[no description available]	low	0	0	3-hydroxyproline; amino acid zwitterion; D-proline derivative	bacterial metabolite; human metabolite
octanoylcarnitine	[no description available]	low	0	0	O-octanoylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
palmitoylcarnitine	[no description available]	low	0	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
cyclic 3',5'-thymidine monophosphate	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
pristanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; saturated fatty aldehyde	human metabolite
lanosten-3-ol-32-al	[no description available]	low	0	0	14alpha-formyl steroid; 3beta-sterol; tetracyclic triterpenoid	human metabolite
thiamine pyrophosphate	[no description available]	low	0	0	organophosphate oxoanion; vitamin B1	human metabolite; Saccharomyces cerevisiae metabolite
adenosine monophosphate	[no description available]	low	0	0	nucleoside 5'-monophosphate(2-)	cofactor; fundamental metabolite; human metabolite
cob(ii)alamin	[no description available]	low	0	0	cobalamin	cofactor; human metabolite
nociceptin	[no description available]	low	0	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
3-hydroxy-3-methyl-hexanoic acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; volatile organic compound	human metabolite
uridine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	human metabolite; Saccharomyces cerevisiae metabolite
n-acetylgalactosamine-1-phosphate	[no description available]	low	0	0	D-galactosamine 1-phosphate	human metabolite
1-phospho-5-s-methylthioribulose	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
10-nitro-oleic acid	[no description available]	low	0	0	long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid	human metabolite
ticrynafen	[no description available]	low	0	0	monocarboxylic acid anion; organophosphate oxoanion	human metabolite
s-(1,2-dicarboxyethyl)cysteine	[no description available]	low	0	0	L-cysteine thioether; tricarboxylic acid	human metabolite; Maillard reaction product
apelin-13 peptide	[no description available]	low	0	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe	[no description available]	low	0	0	polypeptide	apoptosis inhibitor; human metabolite; neuroprotective agent
taurolithocholic acid 3-sulfate	[no description available]	low	0	0	steroid sulfate oxoanion	human metabolite
inositol 1,3,4-trisphosphate	[no description available]	low	0	0	inositol phosphate oxoanion	human metabolite
diadenosine tetraphosphate	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
2-ketoarginine	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
adenosine diphosphate glucose	[no description available]	low	0	0	NDP-alpha-D-glucose(2-); ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)	human metabolite
nicotinate mononucleotide	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
oleoylcarnitine	[no description available]	low	0	0	monounsaturated fatty acyl-L-carnitine	glycine transporter 2 inhibitor; human metabolite
uridine diphosphate n-acetylgalactosamine	[no description available]	low	0	0	nucleotide-sugar oxoanion	human metabolite
6-phosphogluconolactone	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
angiotensin i	[no description available]	low	0	0	angiotensin; peptide zwitterion	antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite
9-PAHSA	[no description available]	low	0	0	FAHFA; long-chain fatty acid	anti-inflammatory agent; human metabolite; hypoglycemic agent
lugdunin	[no description available]	low	0	0	homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines	human metabolite; rat metabolite
deoxyinosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
7,8-dihydroneopterin	[no description available]	low	0	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine monophosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
guanosine diphosphate mannose	[no description available]	low	0	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
inosinic acid	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
dyspropterin	[no description available]	low	0	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
n(2),n(2)-dimethylguanosine	[no description available]	low	0	0	methylguanosine	human metabolite
creatinine	[no description available]	low	0	0	imidazolidinone; lactam	diagnostic agent; human metabolite
apelin-12 peptide	[no description available]	low	0	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
n(1)-methylnicotinamide	[no description available]	low	0	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gamma-guanidinobutyric acid	[no description available]	low	0	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diacetyl	[no description available]	low	0	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
toxopyrimidine	[no description available]	low	0	0	aminopyrimidine; aromatic primary alcohol	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
indol-3-yl pyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite
racemethionine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phenylethyl alcohol	[no description available]	low	0	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
isobutyl alcohol	[no description available]	low	0	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
isobutyraldehyde	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; propanals	Saccharomyces cerevisiae metabolite
2-furoic acid	[no description available]	low	0	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
2-methylbutanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; methylbutanal	plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
2-phenylethyl acetate	[no description available]	low	0	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
propargyl alcohol	[no description available]	low	0	0	propynol; terminal acetylenic compound; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite
isobutyl acetate	[no description available]	low	0	0	acetate ester	Saccharomyces cerevisiae metabolite
2-methylbutanol	[no description available]	low	0	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
shikimic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
methionol	[no description available]	low	0	0	aliphatic sulfide; methyl sulfide	Saccharomyces cerevisiae metabolite
tryptophol	[no description available]	low	0	0	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite
isovalerylaldehyde	[no description available]	low	0	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
chorismic acid	[no description available]	low	0	0	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
isopentyl alcohol	[no description available]	low	0	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone	[no description available]	low	0	0	cyclic ketone; enol; furans	Saccharomyces cerevisiae metabolite
phosphopantothenic acid	[no description available]	low	0	0	amidoalkyl phosphate	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
copper histidine	[no description available]	low	0	0	D-alpha-amino acid; histidine; polar amino acid zwitterion	Saccharomyces cerevisiae metabolite
4-methyl-4-sulfanylpentan-2-one	[no description available]	low	0	0	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite
poly-o-acetylserine	[no description available]	low	0	0	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite
phytosphingosine	[no description available]	low	0	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxy cyclic amp	[no description available]	low	0	0	3',5'-cyclic purine nucleotide	Saccharomyces cerevisiae metabolite
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione	[no description available]	low	0	0	aminouracil; hydroxypyrimidine	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydroxythreonine	[no description available]	low	0	0	amino acid zwitterion; hydroxy-amino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
pantolactone	[no description available]	low	0	0	butan-4-olide	Saccharomyces cerevisiae metabolite
o-succinylhomoserine	[no description available]	low	0	0	hemisuccinate; o-succinylhomoserine	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
D-leucine	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine	bacterial metabolite; Saccharomyces cerevisiae metabolite
fecosterol	[no description available]	low	0	0	3beta-sterol	Saccharomyces cerevisiae metabolite
ergosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
3-mercaptohexyl acetate	[no description available]	low	0	0	acetate ester; alkanethiol	Saccharomyces cerevisiae metabolite
tocotrienol, delta	[no description available]	low	0	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
ubiquinone 6	[no description available]	low	0	0	ubiquinones	Saccharomyces cerevisiae metabolite
3-dehydroshikimate	[no description available]	low	0	0	monocarboxylic acid anion	Saccharomyces cerevisiae metabolite
d-ribo-phytosphingosine-1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	Saccharomyces cerevisiae metabolite
6-hydroxymethyl-7,8-dihydropterin	[no description available]	low	0	0	dihydropterin	Saccharomyces cerevisiae metabolite
cyclic imp	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; nucleoside 3',5'-cyclic phosphate	mammalian metabolite; Saccharomyces cerevisiae metabolite
5,6,7,8-tetrahydrofolic acid	[no description available]	low	0	0	tetrahydrofolic acid	Saccharomyces cerevisiae metabolite
monoisopropanolamine	[no description available]	low	0	0	amino alcohol; secondary alcohol	Escherichia coli metabolite
dihydro-3-coumaric acid	[no description available]	low	0	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
4-aminobutyraldehyde	[no description available]	low	0	0	aminobutanal; omega-aminoaldehyde	Escherichia coli metabolite; mouse metabolite
5,6,7,8-tetrahydropteridine	[no description available]	low	0	0	pteridines	cofactor; Escherichia coli metabolite
aminoacetone	[no description available]	low	0	0	methyl ketone; propanones	Escherichia coli metabolite; mouse metabolite
arsenic acid	[no description available]	low	0	0	arsenic oxoacid	Escherichia coli metabolite
butyraldehyde	[no description available]	low	0	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
carbamic acid	[no description available]	low	0	0	carbon oxoacid; one-carbon compound; organonitrogen compound	Escherichia coli metabolite
coproporphyrinogen iii	[no description available]	low	0	0	coproporphyrinogen	Escherichia coli metabolite; mouse metabolite
2,3-diaminopropionic acid	[no description available]	low	0	0	alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid	Escherichia coli metabolite
oxaluric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; ureas	Escherichia coli metabolite
n(1)-acetylspermidine	[no description available]	low	0	0	acetylspermidine	Escherichia coli metabolite; metabolite
propionaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
hydrogen selenide	[no description available]	low	0	0	mononuclear parent hydride; selenium hydride	Escherichia coli metabolite; mouse metabolite
3,3-dimethylallyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
1,4-dihydroxy-2-naphthoic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; naphthalenediols; naphthohydroquinone; naphthoic acid	Escherichia coli metabolite
thiocyanic acid	[no description available]	low	0	0	hydracid; one-carbon compound; organosulfur compound	Escherichia coli metabolite
hydroxymethylbilane	[no description available]	low	0	0	bilanes	Escherichia coli metabolite; mouse metabolite
iminoaspartic acid	[no description available]	low	0	0	aspartic acid derivative; C4-dicarboxylic acid; ketimine	Escherichia coli metabolite
indole	[no description available]	low	0	0	indole; polycyclic heteroarene	Escherichia coli metabolite
porphobilinogen	[no description available]	low	0	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
prephenic acid	[no description available]	low	0	0	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite
pyridoxine 5-phosphate	[no description available]	low	0	0	vitamin B6 phosphate	Escherichia coli metabolite; mouse metabolite
succinic semialdehyde	[no description available]	low	0	0	aldehydic acid	Escherichia coli metabolite; mouse metabolite
tartronate semialdehyde	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde	Escherichia coli metabolite; mouse metabolite
trimethyloxamine	[no description available]	low	0	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine	[no description available]	low	0	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
uroporphyrinogen iii	[no description available]	low	0	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
isopentenyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
beta-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
cytidine diphosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite
adenosine phosphosulfate	[no description available]	low	0	0	acyl monophosphate; acyl sulfate; adenosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
deoxycytidine monophosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
nicotinamide mononucleotide	[no description available]	low	0	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
1,3,4-butanetriol	[no description available]	low	0	0	triol	bacterial xenobiotic metabolite; Escherichia coli metabolite
d-glutamate	[no description available]	low	0	0	D-alpha-amino acid; glutamic acid	Escherichia coli metabolite; mouse metabolite
myrmicacin	[no description available]	low	0	0	3-hydroxy fatty acid; medium-chain fatty acid	antimitotic; Escherichia coli metabolite
n-(3-aminopropyl)cadaverine	[no description available]	low	0	0	polyazaalkane; triamine	Escherichia coli metabolite
3'-cmp	[no description available]	low	0	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
cifostodine	[no description available]	low	0	0	2',3'-cyclic pyrimidine nucleotide	Escherichia coli metabolite; mouse metabolite; Mycoplasma genitalium metabolite
D-tyrosine	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine	Escherichia coli metabolite
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
acetoacetyl coa	[no description available]	low	0	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
stearoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
3'-uridylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 3'-monophosphate; uridine phosphate	Escherichia coli metabolite
2',3'-cyclic amp	[no description available]	low	0	0	2',3'-cyclic purine nucleotide	Escherichia coli metabolite
2,5-diketogluconic acid	[no description available]	low	0	0	diketoaldonic acid	Escherichia coli metabolite
selenodiglutathione	[no description available]	low	0	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
2-deoxyglucose-6-phosphate	[no description available]	low	0	0	deoxyaldohexose phosphate	Escherichia coli metabolite; Mycoplasma genitalium metabolite
protoporphyrinogen	[no description available]	low	0	0	porphyrinogens	Escherichia coli metabolite; mouse metabolite
thymidine diphosphate-l-rhamnose	[no description available]	low	0	0	dTDP-L-rhamnose	Escherichia coli metabolite
trehalose-6-phosphate	[no description available]	low	0	0	trehalose phosphate	Escherichia coli metabolite
ribulose-1,5 diphosphate	[no description available]	low	0	0	ribulose phosphate	Escherichia coli metabolite; plant metabolite
aerobactin	[no description available]	low	0	0	L-lysine derivative	Escherichia coli metabolite; siderophore; virulence factor
lipid x	[no description available]	low	0	0	N-acyl-D-glucosamine 1-phosphate	Escherichia coli metabolite
galactose-1-phosphate	[no description available]	low	0	0	alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate	Escherichia coli metabolite; mouse metabolite
glutamate-1-semialdehyde	[no description available]	low	0	0	5-oxo monocarboxylic acid; amino acid zwitterion; gamma-amino acid; glutamic semialdehyde	Escherichia coli metabolite
o-phosphohomoserine	[no description available]	low	0	0	O-phosphorylhomoserine	Escherichia coli metabolite
2,3-dihydroxybenzoylserine	[no description available]	low	0	0	L-serine derivative	Escherichia coli metabolite
sorbitol 6-phosphate	[no description available]	low	0	0	alditol 6-phosphate; glucitol phosphate	Escherichia coli metabolite; mouse metabolite
beta-aspartyl phosphate	[no description available]	low	0	0	aminoacyl phosphate; L-aspartic acid derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
adenosine 3'-phosphate-5'-phosphate	[no description available]	low	0	0	adenosine bisphosphate	Escherichia coli metabolite; mouse metabolite
alpha-ribazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole	Escherichia coli metabolite; mouse metabolite
abrine	[no description available]	low	0	0	L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid	Escherichia coli metabolite
3-deoxy-d-arabino-heptulosonate-7-phosphate	[no description available]	low	0	0	ketoaldonic acid phosphate	Escherichia coli metabolite
saicar	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
thymidine 5'-diphosphate	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
sedoheptulose 1,7-bisphosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; mouse metabolite
carboxyaminoimidazole ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazole; aminoimidazole; imidazole-4-carboxylic acid	Escherichia coli metabolite; mouse metabolite
lauroyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
phenylacetyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
5-formamidoimidazole-4-carboxamide ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
6,7-dimethyl-8-ribityllumazine, (d)-isomer	[no description available]	low	0	0	pteridines	cofactor; Escherichia coli metabolite
glucosamine 1-phosphate	[no description available]	low	0	0	glucosamine phosphate	Escherichia coli metabolite
idonic acid	[no description available]	low	0	0	idonic acid	Escherichia coli metabolite
gamma-glutamyl phosphate	[no description available]	low	0	0	gamma-glutamyl phosphate	Escherichia coli metabolite; mouse metabolite
n(1)-((5'-phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite
2-oxo-3-deoxygalactonic acid	[no description available]	low	0	0	hexonic acid; ketoaldonic acid	Escherichia coli metabolite
xylulose-5-phosphate, (d)-isomer	[no description available]	low	0	0	xylulose 5-phosphate	Escherichia coli metabolite; mouse metabolite
glycerate 1,3-biphosphate	[no description available]	low	0	0	2,3-bisphosphoglyceric acid; acyl monophosphate	Escherichia coli metabolite; mouse metabolite
ribose 1-phosphate	[no description available]	low	0	0	D-ribose 1-phosphate	Escherichia coli metabolite
diaminopimelic acid	[no description available]	low	0	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-triphosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
3-dehydroquinic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; 4-hydroxy monocarboxylic acid; 4-oxo monocarboxylic acid; 5-hydroxy monocarboxylic acid; secondary alpha-hydroxy ketone	Escherichia coli metabolite
s-adenosyl-3-methylthiopropylamine	[no description available]	low	0	0	adenosines; sulfonium compound	Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite
6-phosphonoglucono-delta-lactone	[no description available]	low	0	0	aldonolactone phosphate	Escherichia coli metabolite; mouse metabolite
tartaric acid	[no description available]	low	0	0	tartaric acid	Escherichia coli metabolite
s-ribosyl-l-homocysteine	[no description available]	low	0	0	S-(5-deoxy-D-ribos-5-yl)-L-homocysteine	Escherichia coli metabolite
nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii)	[no description available]	low	0	0	diadenosyl pentaphosphate	Escherichia coli metabolite; vasoconstrictor agent
pantothenylcysteine 4'-phosphate	[no description available]	low	0	0	L-cysteine derivative	Escherichia coli metabolite; mouse metabolite
glutathionylspermidine	[no description available]	low	0	0	glutathione derivative	Escherichia coli metabolite
arbutin	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
1-deoxy-d-xylulose 5-phosphate	[no description available]	low	0	0	xylulose phosphate	Escherichia coli metabolite
c(alpha)-formylglycine	[no description available]	low	0	0	3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole; ribose monophosphate	Escherichia coli metabolite; mouse metabolite
1,5-dihydro-fad	[no description available]	low	0	0	flavin adenine dinucleotide	Escherichia coli metabolite; mouse metabolite
s-hydroxymethylglutathione	[no description available]	low	0	0	S-substituted glutathione	Escherichia coli metabolite; mouse metabolite
4-phosphoerythronate	[no description available]	low	0	0	4-phosphoerythronic acid	Escherichia coli metabolite; mouse metabolite
sucrose-6-phosphate	[no description available]	low	0	0	disaccharide phosphate	Escherichia coli metabolite
palmitoyl coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
iminoglycine	[no description available]	low	0	0	dehydroamino acid; imine; zwitterion	Escherichia coli metabolite
2-keto-3-deoxy-6-phosphogluconate	[no description available]	low	0	0	ketoaldonic acid phosphate	Escherichia coli metabolite
formyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite
3-deoxy-2-octulosonic acid(2)-lipid iv(a)	[no description available]	low	0	0	lipid As	Escherichia coli metabolite
maleamic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; dicarboxylic acid monoamide	bacterial xenobiotic metabolite; Escherichia coli metabolite
canthaxanthin	[no description available]	low	0	0	carotenone	biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite
menaquinone 7	[no description available]	low	0	0	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
5-ketogluconic acid	[no description available]	low	0	0	hexonic acid; ketoaldonic acid	Escherichia coli metabolite
oleoyl-coenzyme a	[no description available]	low	0	0	octadecenoyl-CoA	Escherichia coli metabolite; mouse metabolite
menaquinone 9	[no description available]	low	0	0	menaquinone	Escherichia coli metabolite
allolactose	[no description available]	low	0	0	glycosylglucose	Escherichia coli metabolite
1-deoxy-2-pentulose	[no description available]	low	0	0	deoxypentose	Escherichia coli metabolite
fructosyl-lysine	[no description available]	low	0	0	fructosamine; glyco-amino acid	Escherichia coli metabolite
methionine sulfoxide	[no description available]	low	0	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
(S)-4,5-dihydroxypentane-2,3-dione	[no description available]	low	0	0	alpha-diketone; secondary alpha-hydroxy ketone	Escherichia coli metabolite
kdo2-lipid a	[no description available]	low	0	0	dodecanoate ester; lipid As; tetradecanoate ester	Escherichia coli metabolite
oxalyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	Escherichia coli metabolite
s-tetradecanoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
diguanosine tetraphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyguanosine 5'-phosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
dihydrofolate	[no description available]	low	0	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
dihydroneopterin triphosphate	[no description available]	low	0	0	dihydropterin; neopterins; pterin phosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyinosine triphosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
gdp-4-keto-6-deoxymannose	[no description available]	low	0	0	GDP-sugar	Escherichia coli metabolite; mouse metabolite
guanosine pentaphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
queuine	[no description available]	low	0	0	pyrrolopyrimidine	Escherichia coli metabolite
3'-guanylic acid	[no description available]	low	0	0	guanosine 3'-phosphate; purine ribonucleoside 3'-monophosphate	Escherichia coli metabolite
2',3'-cyclic gmp	[no description available]	low	0	0	2',3'-cyclic purine nucleotide	Escherichia coli metabolite
5,10-methenyltetrahydrofolate	[no description available]	low	0	0	methylenetetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
10-formyltetrahydrofolate	[no description available]	low	0	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
colibactin	[no description available]	low	0	0	1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide	alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin
n-carbamoyl-beta-alanine	[no description available]	low	0	0	beta-alanine derivative	metabolite; mouse metabolite
4-hydroxybenzaldehyde	[no description available]	low	0	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
allantoic acid	[no description available]	low	0	0	ureas	mouse metabolite; plant metabolite
hydrobromic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
1,2-dihydroxy-1,2-dihydronaphthalene	[no description available]	low	0	0	dihydronaphthalenes; naphthalenediols	bacterial xenobiotic metabolite; mouse metabolite
phosphonoacetaldehyde	[no description available]	low	0	0	phosphonic acids	mouse 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
hydantoin-5-propionic acid	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
lactaldehyde	[no description available]	low	0	0	hydroxyaldehyde; propanals	mouse metabolite
4-nitrophenol	[no description available]	low	0	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
parathion	[no description available]	low	0	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
6-hydroxymelatonin	[no description available]	low	0	0	acetamides; tryptamines	metabolite; mouse metabolite
adrenic acid	[no description available]	low	0	0	docosatetraenoic acid	mouse metabolite
1,7-dimethylxanthine	[no description available]	low	0	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
theobromine	[no description available]	low	0	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
1-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
2-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
vinylidene chloride	[no description available]	low	0	0	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
trichloroacetaldehyde	[no description available]	low	0	0	aldehyde; organochlorine compound	mouse metabolite
pyridoxic acid	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	human urinary metabolite; mouse metabolite
1-nitronaphthalene	[no description available]	low	0	0	mononitronaphthalene	environmental contaminant; mouse metabolite
2-naphthoic acid	[no description available]	low	0	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
methylphenyl carbinol	[no description available]	low	0	0	aromatic alcohol	mouse metabolite
4-hydroxyacetophenone	[no description available]	low	0	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
2-phenylacetamide	[no description available]	low	0	0	monocarboxylic acid amide	mouse metabolite
2-heptanone	[no description available]	low	0	0	dialkyl ketone; methyl ketone	mouse metabolite; pheromone
2,2,2-trichloroethanol	[no description available]	low	0	0	chloroethanol	mouse metabolite
D-proline	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; proline	mouse metabolite
aminoimidazole carboxamide	[no description available]	low	0	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
methyl-4-tyramine	[no description available]	low	0	0	tyramines	mouse metabolite
hydroxyhydroquinone	[no description available]	low	0	0	benzenetriol	mouse metabolite
1,2-dihydroxynaphthalene	[no description available]	low	0	0	naphthalenediol	mouse metabolite
propiolaldehyde	[no description available]	low	0	0	terminal acetylenic compound; ynal	mouse metabolite
phenylphosphate	[no description available]	low	0	0	aryl phosphate	mouse metabolite
n-cyclohexylformamide	[no description available]	low	0	0	alicyclic compound; formamides	mouse metabolite
dihydroferulic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
1-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite
hydroiodic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
trichloroepoxyethane	[no description available]	low	0	0	epoxide	mouse metabolite
cyromazine	[no description available]	low	0	0	triamino-1,3,5-triazine	mouse metabolite; triazine insecticide
obtusifoliol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol	mouse metabolite; plant metabolite
7-methylxanthine	[no description available]	low	0	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	low	0	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
1-methyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
cyclopropylamine	[no description available]	low	0	0	primary aliphatic amine	mouse metabolite
6-hydroxynicotinic acid	[no description available]	low	0	0	monohydroxypyridine	Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite
2-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite; xenobiotic metabolite
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
glucose	[no description available]	low	0	0	D-glucopyranose	mouse metabolite
1,3,7-trimethylurate	[no description available]	low	0	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
1-methylxanthine	[no description available]	low	0	0	1-methylxanthine	mouse metabolite
3,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	metabolite; mouse metabolite
d-aspartic acid	[no description available]	low	0	0	aspartic acid; D-alpha-amino acid	mouse metabolite
1,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
24-methylenecholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol	mouse metabolite
2,8-dihydroxyadenine	[no description available]	low	0	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent
21-deoxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-hydroxyphenanthrene	[no description available]	low	0	0	phenanthrol	mouse metabolite
2,5-dihydroxypyridine	[no description available]	low	0	0	dihydroxypyridine	mouse metabolite
cerium	[no description available]	low	0	0	cholesteryl ester	mouse metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol	[no description available]	low	0	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
ecgonine methyl ester	[no description available]	low	0	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
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
cholest-5-en-3 beta,7 alpha-diol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; oxysterol	mouse metabolite
s-chloromethylglutathione	[no description available]	low	0	0	organochlorine compound; S-substituted glutathione	alkylating agent; bacterial xenobiotic metabolite; mouse metabolite
5-acetylamino-6-formylamino-3-methyluracil	[no description available]	low	0	0	formamidopyrimidine	mouse metabolite
anserine	[no description available]	low	0	0	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
5,6-dihydroxyindole	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
5,6-dihydroxy-2-indolylcarboxylic acid	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
inositol-3,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
24-hydroxycholesterol	[no description available]	low	0	0	24-hydroxycholesterol	biomarker; human blood serum metabolite; mouse metabolite
n-acetylputrescine	[no description available]	low	0	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
cdp ethanolamine	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphoethanolamine	mouse metabolite
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 30:0; tetradecanoate ester	mouse metabolite
d-glutamine	[no description available]	low	0	0	amino acid zwitterion; D-alpha-amino acid; glutamine	mouse metabolite
diquafosol	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate	mouse metabolite; P2Y2 receptor agonist
19-hydroxytestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 19-hydroxy steroid; 3-oxo-Delta(4) steroid	mouse metabolite
2-hydroxy-1,4-benzoquinone	[no description available]	low	0	0	monohydroxy-1,4-benzoquinones	mouse metabolite
hydromethylthionine	[no description available]	low	0	0	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite
5-hydroxykynuramine	[no description available]	low	0	0	hydroxykynurenamine; primary amino compound	mouse metabolite
diadenosine triphosphate	[no description available]	low	0	0	diadenosyl triphosphate	mouse metabolite
androstane-3,17-dione, (5alpha)-isomer	[no description available]	low	0	0	3-oxo-5alpha-steroid; androstane-3,17-dione	mouse metabolite
21-hydroxypregnenolone	[no description available]	low	0	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
epietiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
19-hydroxy-4-androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-hydroxy steroid; 3-oxo steroid; androstanoid	mouse metabolite
ribulose 5-phosphate	[no description available]	low	0	0	ribulose 5-phosphate	mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	epitope; mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	mouse metabolite
inositol 1,4,5-trisphosphate	[no description available]	low	0	0	myo-inositol trisphosphate	mouse metabolite
ketodihydrosphingosine	[no description available]	low	0	0	2-amino-1-hydroxyoctadecan-3-one	mouse metabolite
androstane-3,17-dione, (5beta)-isomer	[no description available]	low	0	0	3-oxo-5beta-steroid; androstane-3,17-dione	mouse metabolite
beta-sulfopyruvic acid	[no description available]	low	0	0	carboxyalkanesulfonic acid	mouse metabolite
2-hydroxypropylphosphonic acid	[no description available]	low	0	0	phosphonic acids; secondary alcohol	mouse metabolite
inositol-1,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
prostaglandin h2	[no description available]	low	0	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
geranylgeranyl pyrophosphate	[no description available]	low	0	0	geranylgeranyl diphosphate	mouse metabolite
cytidine monophosphate n-acetylneuraminic acid	[no description available]	low	0	0	CMP-N-acyl-beta-neuraminic acid	mouse metabolite
lyso-pc	[no description available]	low	0	0	1-O-acyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine 16:0	mouse metabolite
trans-4-coumaric acid	[no description available]	low	0	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
3-hydroxybutyryl-coenzyme a	[no description available]	low	0	0	3-hydroxyacyl-CoA; hydroxybutanoyl-CoA	mouse metabolite
dihydrosphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite
caffeic acid	[no description available]	low	0	0	caffeic acid	geroprotector; mouse metabolite
coniferyl alcohol	[no description available]	low	0	0	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component
raphanusamic acid	[no description available]	low	0	0	thiazolidinemonocarboxylic acid	Arabidopsis thaliana metabolite; mouse metabolite; xenobiotic metabolite
arachidonic acid 5-hydroperoxide	[no description available]	low	0	0	5-HPETE	mouse metabolite
arachidonic acid omega-9 hydroperoxide	[no description available]	low	0	0	HPETE	mouse metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer	[no description available]	low	0	0	15-HPETE	mouse metabolite
1-palmitoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-palmitoyl-2-oleoylglycerol	mouse metabolite
epoprostenol	[no description available]	low	0	0	prostaglandins I	mouse metabolite
11,12-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET	mouse metabolite
14,15-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET; diol; secondary allylic alcohol	mouse metabolite
5,6-epoxy-8,11,14-eicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
8,9-epoxyeicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer	[no description available]	low	0	0	1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine	mouse metabolite
stearidonic acid	[no description available]	low	0	0	long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid	Daphnia galeata metabolite; mouse metabolite; plant metabolite
trilinolein	[no description available]	low	0	0	1,2-diacyl-3-linoleoylglycerol; 1,3-diacyl-2-linoleoylglycerol; linoleoyl containing 1,2,3-triacyl-sn-glycerol; TG(18:2/18:2/18:2); triglyceride	mouse metabolite
monodehydroascorbate	[no description available]	low	0	0	organic radical	mouse metabolite
1,2-dioleoylphosphatidylserine	[no description available]	low	0	0	phosphatidylserine(18:1/18:1)	mouse metabolite
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid	[no description available]	low	0	0	HEPE	mouse metabolite
1-stearoyl-2-linoleoylphosphatidylcholine	[no description available]	low	0	0	phosphatidylcholine 36:2	mouse metabolite
1-stearoyl-2-linoleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; diacylglycerol 36:2	mouse metabolite
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	phosphatidylcholine 38:6	mouse metabolite
13(S)-HODE	[no description available]	low	0	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
1-stearoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-stearoyl-2-oleoylglycerol; diacylglycerol 36:1	mouse metabolite
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:1	mouse metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
n-stearoylsphingomyelin	[no description available]	low	0	0	sphingomyelin 36:1; sphingomyelin d18:1	mouse metabolite
cholesteryl arachidonate	[no description available]	low	0	0	cholesteryl icosatetraenoate	antibacterial agent; mouse metabolite
acryloyl-coenzyme a	[no description available]	low	0	0	2-enoyl-CoA; monounsaturated fatty acyl-CoA	mouse metabolite
samarium	[no description available]	low	0	0	sphingomyelin d18:1/16:0	mouse metabolite
n-palmitoylgalactosylsphingosine	[no description available]	low	0	0	HexCer(d18:1/16:0); N-acyl-beta-D-galactosylsphingosine	mouse metabolite
prosomatostatin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite
phosphatidylcholines	[no description available]	low	0	0	phosphatidylcholine 40:6	mouse metabolite
cyclosporine	[no description available]	low	0	0	keto-disaccharide	mouse metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	low	0	0	1,4-benzoquinones	cofactor
zeaxanthin	[no description available]	low	0	0	carotenol	antioxidant; bacterial metabolite; cofactor
echinenone	[no description available]	low	0	0	carotenone	animal metabolite; bacterial metabolite; cofactor; marine metabolite
chlorophyll b	[no description available]	low	0	0	chlorophyll	cofactor
3'-hydroxyechinenone	[no description available]	low	0	0	carotenone; enone; secondary alcohol	bacterial metabolite; biological pigment; cofactor
bacillithiol	[no description available]	low	0	0	glycoside; monosaccharide derivative; thiol	antioxidant; bacterial metabolite; cofactor
alpha-ketoglutaric acid	[no description available]	low	0	0	oxo dicarboxylic acid	fundamental metabolite
betaine hydrochloride	[no description available]	low	0	0	quaternary ammonium ion	fundamental metabolite
cysteine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; polar amino acid; sulfur-containing amino acid	fundamental metabolite
alanine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion	fundamental metabolite
3-phosphoglycerate	[no description available]	low	0	0	monophosphoglyceric acid; tetronic acid derivative	algal metabolite; fundamental metabolite
glyceraldehyde	[no description available]	low	0	0	aldotriose	fundamental metabolite
glyceric acid	[no description available]	low	0	0	trionic acid	fundamental metabolite
phenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
isocitric acid	[no description available]	low	0	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
nadp	[no description available]	low	0	0	NADP	fundamental metabolite
uridine diphosphate glucose	[no description available]	low	0	0	UDP-D-glucose	fundamental metabolite
2'-deoxy-5'-adenosine monophosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	fundamental metabolite
uridine diphosphate xylose	[no description available]	low	0	0	UDP-sugar	fundamental metabolite
serum p-component	[no description available]	low	0	0	citrate anion; tricarboxylic acid trianion	fundamental metabolite
aconitic acid	[no description available]	low	0	0	aconitic acid	fundamental metabolite

Article	Year
Biotinylated Pt(IV) prodrugs with elevated lipophilicity and cytotoxicity. Dalton transactions (Cambridge, England : 2003), Jan-24, Volume: 52, Issue: 4	2023
Fit-for-purpose validation of a drug-tolerant immunogenicity assay for a human mAb drug in animal safety studies. Journal of immunological methods, Volume: 512	2023
Multifunctional platinum(IV) complex bearing HDAC inhibitor and biotin moiety exhibits prominent cytotoxicity and tumor-targeting ability. Dalton transactions (Cambridge, England : 2003), May-10, Volume: 51, Issue: 18	2022
Biotin-Targeted Nanomicellar Formulation of an Anderson-Type Polyoxomolybdate: Synthesis and In Vitro Cytotoxicity Evaluations. Langmuir : the ACS journal of surfaces and colloids, 06-01, Volume: 37, Issue: 21	2021
Safety and efficacy of MD1003 (high-dose biotin) in patients with progressive multiple sclerosis (SPI2): a randomised, double-blind, placebo-controlled, phase 3 trial. The Lancet. Neurology, Volume: 19, Issue: 12	2020
A base-repair based electrochemiluminescent genotoxicity sensor that detects abasic sites in double-stranded DNA films. Chemical communications (Cambridge, England), Oct-20, Volume: 56, Issue: 83	2020
Size-adaptable and ligand (biotin)-sheddable nanocarriers equipped with avidin scavenging technology for deep tumor penetration and reduced toxicity. Journal of controlled release : official journal of the Controlled Release Society, 04-10, Volume: 320	2020
Characterization of biotin interference in 21 Vitros 5600 immunoassays and risk mitigation for patient safety at a large academic medical center. Clinical biochemistry, Volume: 75	2020
First-in-Human Study of the Safety, Tolerability, Pharmacokinetics and - Preliminary Dynamics of Neuroprotectant 2-Iminobiotin in Healthy Subjects. Current clinical pharmacology, Volume: 15, Issue: 2	2020
Drug Delivery Nanoparticles with Locally Tunable Toxicity Made Entirely from a Light-Activatable Prodrug of Doxorubicin. Pharmaceutical research, Volume: 34, Issue: 10	2017
The synthesis, structure-toxicity relationship of cisplatin derivatives for the mechanism research of cisplatin-induced nephrotoxicity. Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue: 15	2017
Dietary Biotin Supplementation Modifies Hepatic Morphology without Changes in Liver Toxicity Markers. BioMed research international, Volume: 2016	2016
Unambiguous Identification of β-Tubulin as the Direct Cellular Target Responsible for the Cytotoxicity of Chalcone by Photoaffinity Labeling. ChemMedChem, 07-05, Volume: 11, Issue: 13	2016
Biotinylated Platinum(II) Ferrocenylterpyridine Complexes for Targeted Photoinduced Cytotoxicity. Inorganic chemistry, Jun-06, Volume: 55, Issue: 11	2016
Protective Effects of Tinospora cordifolia on Hepatic and Gastrointestinal Toxicity Induced by Chronic and Moderate Alcoholism. Alcohol and alcoholism (Oxford, Oxfordshire), Volume: 51, Issue: 1	2016
In vitro cytotoxicity of the ternary PAMAM G3-pyridoxal-biotin bioconjugate. International journal of nanomedicine, Volume: 8	2013
Effect of biotin and galactose functionalized gelatin nanofiber membrane on HEp-2 cell attachment and cytotoxicity. The Journal of membrane biology, Volume: 247, Issue: 1	2014
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
Preclinical pharmacology and safety of a novel avidin derivative for tissue-targeted delivery of radiolabelled biotin. Basic & clinical pharmacology & toxicology, Volume: 109, Issue: 3	2011
Efficacy and safety of once weekly subcutaneous idrabiotaparinux in the treatment of patients with symptomatic deep venous thrombosis. Journal of thrombosis and haemostasis : JTH, Volume: 9, Issue: 1	2011
Developing structure-activity relationships for the prediction of hepatotoxicity. Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7	2010
Reversibility of covalent electrophile-protein adducts and chemical toxicity. Chemical research in toxicology, Volume: 21, Issue: 12	2008
Biotinylated glyco-functionalized quantum dots: synthesis, characterization, and cytotoxicity studies. Bioconjugate chemistry, May-20, Volume: 20, Issue: 5	2009
S-nitrosylation/activation of COX-2 mediates NMDA neurotoxicity. Proceedings of the National Academy of Sciences of the United States of America, Jul-29, Volume: 105, Issue: 30	2008
Transcriptomic analysis reveals early signs of liver toxicity in female MRL +/+ mice exposed to the acylating chemicals dichloroacetyl chloride and dichloroacetic anhydride. Chemical research in toxicology, Volume: 21, Issue: 3	2008
Rhenium(I) polypyridine biotin isothiocyanate complexes as the first luminescent biotinylation reagents: synthesis, photophysical properties, biological labeling, cytotoxicity, and imaging studies. Inorganic chemistry, Jan-21, Volume: 47, Issue: 2	2008
Mitochondrial function and toxicity: role of the B vitamin family on mitochondrial energy metabolism. Chemico-biological interactions, Oct-27, Volume: 163, Issue: 1-2	2006
Rapid hepatic cell attachment onto biodegradable polymer surfaces without toxicity using an avidin-biotin binding system. Biomaterials, Volume: 27, Issue: 28	2006
Photochemically stimulated drug delivery increases the cytotoxicity and specificity of EGF-saporin. Journal of controlled release : official journal of the Controlled Release Society, Mar-10, Volume: 111, Issue: 1-2	2006
Glial restricted precursors protect against chronic glutamate neurotoxicity of motor neurons in vitro. Glia, Apr-15, Volume: 50, Issue: 2	2005
Final report on the safety assessment of biotin. International journal of toxicology, Volume: 20 Suppl 4	2001
Toxic effects of acetylcholinesterase on neuronal and glial-like cells in vitro. Molecular psychiatry, Volume: 3, Issue: 3	1998
Chymase-directed serine protease inhibitor that reacts with a single 30-kDa granzyme and blocks NK-mediated cytotoxicity. Journal of immunology (Baltimore, Md. : 1950), Dec-01, Volume: 153, Issue: 11	1994
Reversal of toxicity using avidin-based hemoperfusion: a model system in rats using biotinylated melittin. Pharmacology, Volume: 50, Issue: 5	1995
Cytotoxicity of streptavidin-blocked biotinyl-ricin is retrieved by in vitro immunotargeting via biotinyl monoclonal antibody. Cancer research, Aug-15, Volume: 52, Issue: 16	1992
Control of the nephrotoxicity of cisplatin by clinically used sulfur-containing compounds. Fundamental and applied toxicology : official journal of the Society of Toxicology, Volume: 18, Issue: 2	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A simple agglutination system for rapid antigen detection from large sample volumes with enhanced sensitivity. Analytica chimica acta, Oct-09, Volume: 1277	2023
A picogram BA-ELISA quantification assay for rLj-RGD3, a platelet fibrinogen receptor antagonist, in the rat plasma and its application to a pharmacokinetic study. PLoS neglected tropical diseases, Volume: 17, Issue: 8	2023
First-in-Human Study of the Safety, Tolerability, Pharmacokinetics and - Preliminary Dynamics of Neuroprotectant 2-Iminobiotin in Healthy Subjects. Current clinical pharmacology, Volume: 15, Issue: 2	2020
[Simultaneous Determination of Protocatechuic Acid,Kaempferol Biotin Glucoside and Quercitrin in Rat Plasma and Pharmacokinetics By UPLC-MS/MS]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, Volume: 39, Issue: 7	2016
Bevacizumab Radioimmunotherapy (RIT) with Accelerated Blood Clearance Using the Avidin Chase. Molecular pharmaceutics, 06-04, Volume: 15, Issue: 6	2018
Application of Peak Intensity Analysis to Measurements of Protein Binding to Lipid Vesicles and Erythrocytes Using Fluorescence Correlation Spectroscopy: Dependence on Particle Size. The Journal of membrane biology, Volume: 250, Issue: 1	2017
Evaluation of pharmacokinetic/pharmacodynamic relationships of PD-0162819, a biotin carboxylase inhibitor representing a new class of antibacterial compounds, using in vitro infection models. Antimicrobial agents and chemotherapy, Volume: 56, Issue: 1	2012
Reduced BACE1 activity enhances clearance of myelin debris and regeneration of axons in the injured peripheral nervous system. The Journal of neuroscience : the official journal of the Society for Neuroscience, Apr-13, Volume: 31, Issue: 15	2011
Red blood cell (RBC) volume can be independently determined in vivo in humans using RBCs labeled at different densities of biotin. Transfusion, Volume: 51, Issue: 1	2011
Red blood cell (RBC) volume can be independently determined in vivo in the sheep using ovine RBCs labeled at different densities of biotin. Transfusion, Volume: 50, Issue: 12	2010
Reduction of matrix interferences by the combination of chaotropic salt and DMSO in a broadly applicable target-based ELISA for pharmacokinetic studies of therapeutic monoclonal antibodies. Journal of pharmaceutical and biomedical analysis, Dec-05, Volume: 50, Issue: 5	2009
Vitreal pharmacokinetics of biotinylated ganciclovir: role of sodium-dependent multivitamin transporter expressed on retina. Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics, Volume: 25, Issue: 1	2009
Red cell volume can be accurately determined in sheep using a nonradioactive biotin label. Pediatric research, Volume: 64, Issue: 5	2008
Blood pharmacokinetics of various monoclonal antibodies labeled with a new trifunctional chelating reagent for simultaneous conjugation with 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid and biotin before radiolabeling. Clinical cancer research : an official journal of the American Association for Cancer Research, Oct-01, Volume: 11, Issue: 19 Pt 2	2005
Targeting of daunomycin using biotinylated immunoliposomes: pharmacokinetics, tissue distribution and in vitro pharmacological effects. Journal of drug targeting, Volume: 13, Issue: 5	2005
Small-volume rapid-mix device for subsecond kinetic analysis in flow cytometry. Cytometry. Part A : the journal of the International Society for Analytical Cytology, Volume: 67, Issue: 1	2005
Volume sensitivity of the bestrophin family of chloride channels. The Journal of physiology, Jan-15, Volume: 562, Issue: Pt 2	2005
Multiple peak formation of avidin on an iminobiotin affinity support. Journal of chromatographic science, Volume: 42, Issue: 2	2004
RBCs labeled at two biotin densities permit simultaneous and repeated measurements of circulating RBC volume. Transfusion, Volume: 44, Issue: 3	2004
Pharmacokinetics and biodistribution of [111In]-avidin and [99mTc]-biotin-liposomes injected in the pleural space for the targeting of mediastinal nodes. Nuclear medicine and biology, Volume: 31, Issue: 1	2004
Modulation of the pharmacokinetics of macromolecular contrast material by avidin chase: MRI, optical, and inductively coupled plasma mass spectrometry tracking of triply labeled albumin. Magnetic resonance in medicine, Volume: 50, Issue: 5	2003
Circulating RBC volume, measured with biotinylated RBCs, is superior to the Hct to document the hematologic effects of delayed versus immediate umbilical cord clamping in preterm neonates. Transfusion, Volume: 43, Issue: 8	2003
Volume of RBCs, 24- and 48-hour posttransfusion survivals, and the lifespan of (51)Cr and biotin-X-N-hydroxysuccinimide (NHS)-labeled autologous baboon RBCs: effect of the anticoagulant and blood pH on (51)Cr and biotin-X-NHS elution in vivo. Transfusion, Volume: 42, Issue: 3	2002
Mixing small volumes for continuous high-throughput flow cytometry: performance of a mixing Y and peristaltic sample delivery. Cytometry, Mar-01, Volume: 47, Issue: 3	2002
The clearance and metabolism of biotin administered intravenously to pigs in tracer and physiologic amounts is much more rapid than previously appreciated. The Journal of nutrition, Volume: 131, Issue: 4	2001
Measurement of circulating red cell volume using biotin-labeled red cells: validation against 51Cr-labeled red cells. Transfusion, Volume: 39, Issue: 2	1999
Functional and pharmacokinetic properties of antibody-avidin fusion proteins. Journal of immunology (Baltimore, Md. : 1950), May-15, Volume: 158, Issue: 10	1997
Surface area and volume changes during maturation of reticulocytes in the circulation of the baboon. The Journal of laboratory and clinical medicine, Volume: 129, Issue: 5	1997
Synthesis, pharmacokinetics, and biodistribution of 67GA deferoxamineacetyl-cysteinylbiotin. Drug metabolism and disposition: the biological fate of chemicals, Volume: 23, Issue: 12	1995
Polyethylene glycol modification of a galactosylated streptavidin clearing agent: effects on immunogenicity and clearance of a biotinylated anti-tumour antibody. British journal of cancer, Volume: 73, Issue: 5	1996
Pharmacokinetics and blood-brain barrier transport of [3H]-biotinylated phosphorothioate oligodeoxynucleotide conjugated to a vector-mediated drug delivery system. The Journal of pharmacology and experimental therapeutics, Volume: 276, Issue: 1	1996
Plasma stability and pharmacokinetics of radiolabeled deferoxamine-biotin derivatives. The Journal of pharmacology and experimental therapeutics, Volume: 265, Issue: 1	1993
Pharmacokinetics of cytotoxin from Chinese cobra (Naja naja atra) venom. Toxicon : official journal of the International Society on Toxinology, Volume: 31, Issue: 3	1993
Analysis of peripheral blood mononuclear cells in rodents by three-colour flow cytometry using a small-volume lysed whole blood technique. Journal of immunological methods, Jan-14, Volume: 158, Issue: 1	1993
Pharmacokinetics and biodistribution of radiolabeled avidin, streptavidin and biotin. Nuclear medicine and biology, Volume: 20, Issue: 5	1993
Streptavidin distribution in metastatic tumors pretargeted with a biotinylated monoclonal antibody: theoretical and experimental pharmacokinetics. Cancer research, Apr-15, Volume: 54, Issue: 8	1994
Use of neutral avidin improves pharmacokinetics and brain delivery of biotin bound to an avidin-monoclonal antibody conjugate. The Journal of pharmacology and experimental therapeutics, Volume: 269, Issue: 1	1994
Clearance of circulating radio-antibodies using streptavidin or second antibodies in a xenograft model. British journal of cancer, Volume: 69, Issue: 3	1994
Pharmacokinetic comparison of direct antibody targeting with pretargeting protocols based on streptavidin-biotin binding. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 36, Issue: 5	1995
Pharmacokinetics and organ clearance of a 3'-biotinylated, internally [32P]-labeled phosphodiester oligodeoxynucleotide coupled to a neutral avidin/monoclonal antibody conjugate. Drug metabolism and disposition: the biological fate of chemicals, Volume: 23, Issue: 1	1995
Stability and pharmacokinetic characteristics of oligonucleotides modified at terminal linkages in mice. Antisense research and development,Summer, Volume: 5, Issue: 2	1995
Galactosylated streptavidin for improved clearance of biotinylated intact and F(ab')2 fragments of an anti-tumour antibody. British journal of cancer, Volume: 71, Issue: 1	1995
Pharmacokinetics of [3H]biotin bound to different avidin analogues. Journal of drug targeting, Volume: 3, Issue: 2	1995
The measurement of the total volume of red cells in man: a non-radioactive approach using biotin. British journal of haematology, Volume: 70, Issue: 4	1988
Rapid blood clearance of biotinylated IgG after infusion of avidin. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 30, Issue: 1	1989
Blood clearance of radiolabeled antibody: enhancement by lactosamination and treatment with biotin-avidin or anti-mouse IgG antibodies. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 29, Issue: 12	1988
[Use of avidin for speedy clearance of biotinylated immunoglobulins from the blood flow]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 109, Issue: 6	1990
Uptake and clearance rates of biotin in pig plasma following biotin injections. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 60, Issue: 1	1990
Biotin labeling of red cells in the measurement of red cell volume in preterm infants. Pediatric research, Volume: 28, Issue: 3	1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A picogram BA-ELISA quantification assay for rLj-RGD3, a platelet fibrinogen receptor antagonist, in the rat plasma and its application to a pharmacokinetic study. PLoS neglected tropical diseases, Volume: 17, Issue: 8	2023
Biotin Enhances Testosterone Production in Mice and Their Testis-Derived Cells. Nutrients, Nov-10, Volume: 14, Issue: 22	2022
A Novel Docetaxel-Biotin Chemical Conjugate for Prostate Cancer Treatment. Molecules (Basel, Switzerland), Jan-31, Volume: 27, Issue: 3	2022
The prevalence of elevated biotin in patient cohorts presenting for routine endocrinology, sepsis, and infectious disease testing. Clinical biochemistry, Volume: 99	2022
Engineering oxygen-independent biotin biosynthesis in Saccharomyces cerevisiae. Metabolic engineering, Volume: 67	2021
Continuation of Over-the-Counter Biotin Supplements in the Inpatient Setting: An Unexpected Source of Laboratory Error. The journal of applied laboratory medicine, 04-29, Volume: 6, Issue: 3	2021
Effects of Biotin on survival, ensheathment, and ATP production by oligodendrocyte lineage cells in vitro. PloS one, Volume: 15, Issue: 5	2020
Dietary supplements in dermatology: A review of the evidence for zinc, biotin, vitamin D, nicotinamide, and Polypodium. Journal of the American Academy of Dermatology, Volume: 84, Issue: 4	2021
Size-adaptable and ligand (biotin)-sheddable nanocarriers equipped with avidin scavenging technology for deep tumor penetration and reduced toxicity. Journal of controlled release : official journal of the Controlled Release Society, 04-10, Volume: 320	2020
A Phase IIa Clinical Trial of 2-Iminobiotin for the Treatment of Birth Asphyxia in DR Congo, a Low-Income Country. Paediatric drugs, Volume: 22, Issue: 1	2020
Novel N-acetyl-Glycol-split heparin biotin-conjugates endowed with anti-heparanase activity. European journal of medicinal chemistry, Jan-15, Volume: 186	2020
Serum Level of Biotin Rather than the Daily Dosage Is the Main Determinant of Interference on Thyroid Function Assays. Hormone research in paediatrics, Volume: 92, Issue: 2	2019
First-in-Human Study of the Safety, Tolerability, Pharmacokinetics and - Preliminary Dynamics of Neuroprotectant 2-Iminobiotin in Healthy Subjects. Current clinical pharmacology, Volume: 15, Issue: 2	2020
Formulation and manufacturing of lymphatic targeting liposomes using microfluidics. Journal of controlled release : official journal of the Controlled Release Society, 08-10, Volume: 307	2019
Discovery of Affinity-Based Probes for Btk Occupancy Assays. ChemMedChem, 01-22, Volume: 14, Issue: 2	2019
Pentasaccharides for the treatment of deep vein thrombosis. The Cochrane database of systematic reviews, 12-02, Volume: 12	2017
Biotin for the treatment of nail disease: what is the evidence? The Journal of dermatological treatment, Volume: 29, Issue: 4	2018
Characterization of the scope and magnitude of biotin interference in susceptible Roche Elecsys competitive and sandwich immunoassays. Annals of clinical biochemistry, Volume: 55, Issue: 2	2018
Antibodies to biotinylated red blood cells in adults and infants: improved detection, partial characterization, and dependence on red blood cell-biotin dose. Transfusion, Volume: 57, Issue: 6	2017
Immobilized hematopoietic growth factors onto magnetic particles offer a scalable strategy for cell therapy manufacturing in suspension cultures. Biotechnology journal, Volume: 12, Issue: 2	2017
Repression of Biotin-Related Proteins by Benzo[a]Pyrene-Induced Epigenetic Modifications in Human Bronchial Epithelial Cells. International journal of toxicology, Volume: 35, Issue: 3	2016
Synthesis and evaluation of multivalent M2pep peptides for targeting alternatively activated M2 macrophages. Journal of controlled release : official journal of the Controlled Release Society, Feb-28, Volume: 224	2016
Nitrification recovery behavior by bio-accelerators in copper-inhibited activated sludge system. Bioresource technology, Volume: 192	2015
Adhesion patterns in the microvasculature are dependent on bifurcation angle. Microvascular research, Volume: 99	2015
Y-shaped biotin-conjugated poly (ethylene glycol)-poly (epsilon-caprolactone) copolymer for the targeted delivery of curcumin. Journal of colloid and interface science, Apr-01, Volume: 443	2015
EP217609, a neutralisable dual-action FIIa/FXa anticoagulant, with antithrombotic effects in arterial thrombosis. Thrombosis and haemostasis, Volume: 113, Issue: 2	2015
Outcomes of individuals with profound and partial biotinidase deficiency ascertained by newborn screening in Michigan over 25 years. Genetics in medicine : official journal of the American College of Medical Genetics, Volume: 17, Issue: 3	2015
Magnetic particle-scanning for ultrasensitive immunodetection on-chip. Analytical chemistry, Aug-19, Volume: 86, Issue: 16	2014
Improved activity of immobilized antibody by paratope orientation controller: probing paratope orientation by electrochemical strategy and surface plasmon resonance spectroscopy. Biosensors & bioelectronics, May-15, Volume: 55	2014
Modular glycosphere assays for high-throughput functional characterization of influenza viruses. BMC biotechnology, Apr-15, Volume: 13	2013
Short-term dose-response characteristics of 2-iminobiotin immediately postinsult in the neonatal piglet after hypoxia-ischemia. Stroke, Volume: 44, Issue: 3	2013
Bioequipotency of idraparinux and idrabiotaparinux after once weekly dosing in healthy volunteers and patients treated for acute deep vein thrombosis. British journal of clinical pharmacology, Volume: 75, Issue: 5	2013
Conditions of polymerase chain reaction amplification by magnetic enrichment and nanoscale detection sensitivity. Journal of nanoscience and nanotechnology, Volume: 12, Issue: 5	2012
Immunoliposome-PCR: a generic ultrasensitive quantitative antigen detection system. Journal of nanobiotechnology, Jun-22, Volume: 10, Issue: 1	2012
Rewiring and dosing of systems modules as a design approach for synthetic mammalian signaling networks. Molecular bioSystems, Volume: 8, Issue: 6	2012
Marginal biotin deficiency can be induced experimentally in humans using a cost-effective outpatient design. The Journal of nutrition, Volume: 142, Issue: 1	2012
Increased rheumatoid factor interference observed during immunogenicity assessment of an Fc-engineered therapeutic antibody. Journal of pharmaceutical and biomedical analysis, Jul-15, Volume: 55, Issue: 5	2011
Adding a clearing agent to pretargeting does not lower the tumor accumulation of the effector as predicted. Cancer biotherapy & radiopharmaceuticals, Volume: 25, Issue: 6	2010
Engineering of biotin-prototrophy in Pichia pastoris for robust production processes. Metabolic engineering, Volume: 12, Issue: 6	2010
Biotin regulates the expression of holocarboxylase synthetase in the miR-539 pathway in HEK-293 cells. The Journal of nutrition, Volume: 140, Issue: 9	2010
Reversibility of the anti-FXa activity of idrabiotaparinux (biotinylated idraparinux) by intravenous avidin infusion. Journal of thrombosis and haemostasis : JTH, Volume: 8, Issue: 4	2010
New anticoagulants for atrial fibrillation. Seminars in thrombosis and hemostasis, Volume: 35, Issue: 5	2009
Measurement of monovalent and polyvalent carbohydrate-lectin binding by back-scattering interferometry. Analytical chemistry, Jun-15, Volume: 81, Issue: 12	2009
Management of a patient with holocarboxylase synthetase deficiency. Molecular genetics and metabolism, Volume: 95, Issue: 4	2008
Detection of antibodies against therapeutic proteins in the presence of residual therapeutic protein using a solid-phase extraction with acid dissociation (SPEAD) sample treatment prior to ELISA. Regulatory toxicology and pharmacology : RTP, Volume: 49, Issue: 3	2007
Natural approaches to epilepsy. Alternative medicine review : a journal of clinical therapeutic, Volume: 12, Issue: 1	2007
Improved transduction of human corneal epithelial progenitor cells with cell-targeting adenoviral vectors. Experimental eye research, Volume: 83, Issue: 4	2006
Determining maximal tolerable dose of the monoclonal antibody BR96 labeled with 90Y or 177Lu in rats: establishment of a syngeneic tumor model to evaluate means to improve radioimmunotherapy. Clinical cancer research : an official journal of the American Association for Cancer Research, Oct-01, Volume: 11, Issue: 19 Pt 2	2005
Affinity chromatographic selection of carbonylated proteins followed by identification of oxidation sites using tandem mass spectrometry. Analytical chemistry, Apr-15, Volume: 77, Issue: 8	2005
Improved ELISA test for determination of potency of Inactivated Poliovirus Vaccine (IPV). Biologicals : journal of the International Association of Biological Standardization, Volume: 33, Issue: 1	2005
Sensitive ELISA for determination of serum E2 using a new tracer E2-Biotin. Journal of immunoassay & immunochemistry, Volume: 24, Issue: 4	2003
Automated high throughput screening for serine kinase inhibitors using a LEADseeker scintillation proximity assay in the 1536-well format. Journal of biomolecular screening, Volume: 7, Issue: 1	2002
Engineering of a Bacillus subtilis strain with adjustable levels of intracellular biotin for secretory production of functional streptavidin. Applied and environmental microbiology, Volume: 68, Issue: 3	2002
The humoral immune response to macrocyclic chelating agent DOTA depends on the carrier molecule. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 42, Issue: 11	2001
Pre-targeted locoregional radioimmunotherapy with 90Y-biotin in glioma patients: phase I study and preliminary therapeutic results. Cancer biotherapy & radiopharmaceuticals, Volume: 16, Issue: 3	2001
Distribution of albumin nanoparticles in animals induced with the experimental allergic encephalomyelitis. Journal of drug targeting, Volume: 8, Issue: 5	2000
Green fluorescent protein mutant as label in homogeneous assays for biomolecules. Analytical biochemistry, Feb-01, Volume: 289, Issue: 1	2001
Ex vivo biocompatibility of avidin-agarose: a new device for direct adsorption of biotinylated antibodies from human whole blood. Artificial organs, Volume: 24, Issue: 9	2000
Interaction of immobilized avidin with an aequorin-biotin conjugate: an aequorin-linked assay for biotin. Analytical biochemistry, Dec-01, Volume: 254, Issue: 1	1997
Susceptibility of human sperm to in situ DNA denaturation is strongly correlated with DNA strand breaks identified by single-cell electrophoresis. Experimental cell research, Oct-10, Volume: 236, Issue: 1	1997
Effect of HLA-DM transfection on hen egg lysozyme presentation by T2.Ak cells. Journal of immunology (Baltimore, Md. : 1950), Sep-15, Volume: 157, Issue: 6	1996
Observation of "hook effects" in the inhibition and dose-response curves of biotin assays based on the interaction of biotinylated glucose oxidase with (strept)avidin. Analytical chemistry, Feb-15, Volume: 65, Issue: 4	1993
The bioavailability of supplemental biotin in cattle. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 63, Issue: 2	1993
The long-term influence of biotin supplementation on hoof horn quality in horses. Schweizer Archiv fur Tierheilkunde, Volume: 136, Issue: 4	1994
Biotin kinetics in serum of cattle after intravenous and oral dosing. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 64, Issue: 1	1994
Aged platelets have an impaired response to thrombin as quantitated by P-selectin expression. Blood, Jan-01, Volume: 83, Issue: 1	1994
Teratogenic effects of avidin-induced biotin deficiency in mice. Teratology, Volume: 30, Issue: 1	1984
Drinking water treatment with a commercial preparation of a concentrated Lactobacillus culture for broiler chickens. Poultry science, Volume: 63, Issue: 8	1984
Effect of oral dosing of Lactobacillus strains on gut colonization and liver biotin in broiler chicks. Poultry science, Volume: 62, Issue: 10	1983
Zymogen activation: a new system for homogeneous ligand-binding assay. Clinical chemistry, Volume: 30, Issue: 9	1984
Localization of biotinylated gonadotropin releasing hormone on pituitary monolayer cells with avidin-biotin-peroxidase complexes. The journal of histochemistry and cytochemistry : official journal of the Histochemistry Society, Volume: 31, Issue: 12	1983
Biotin enhances guanylate cyclase activity. Science (New York, N.Y.), Jun-18, Volume: 216, Issue: 4552	1982
Biotin-responsive encephalopathy with myoclonus, ataxia, and seizures. Advances in neurology, Volume: 43	1986
Biotin deficiency complicating parenteral alimentation: diagnosis, metabolic repercussions, and treatment. The Journal of pediatrics, Volume: 106, Issue: 5	1985
Ocular aspects in biotinidase deficiency. Clinical and genetic original studies. Ophthalmic paediatrics and genetics, Volume: 8, Issue: 2	1987
Potentiometric homogeneous enzyme-linked competitive binding assays using adenosine deaminase as the label. Analytical chemistry, Aug-01, Volume: 61, Issue: 15	1989
Pyruvate carboxylase as a model for oligosubstituted enzyme-ligand conjugates in homogeneous enzyme immunoassays. Analytical chemistry, Oct-01, Volume: 61, Issue: 19	1989
Immunoradiometric assay of carcinoembryonic antigen with use of avidin-biotin labeling. Clinical chemistry, Volume: 35, Issue: 4	1989
Biotin studies in pigs. 5. The post-ileal absorption of biotin. The British journal of nutrition, Volume: 62, Issue: 3	1989
Cytochemical and cytophysiological studies of gonadotropin-releasing hormone (GnRH) target cells in the male rat pituitary: differential effects of androgens and corticosterone on GnRH binding and gonadotropin release. Endocrinology, Volume: 117, Issue: 1	1985
Microtiter plate binding assay for cholinergic compounds utilizing the nicotinic acetylcholine receptor. Analytical chemistry, Dec-01, Volume: 64, Issue: 23	1992
Biotinylated 1012-S conjugate as a probe ligand for benzodiazepine receptors: characterization of receptor binding sites and receptor assay for benzodiazepine drugs. Analytical biochemistry, May-15, Volume: 203, Issue: 1	1992
Distinctive effects of glucagon on gluconeogenesis and ketogenesis in hepatocytes isolated from normal and biotin-deficient rats. The Biochemical journal, Jun-15, Volume: 172, Issue: 3	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Intervention	days (Mean)
	BioRBC 2 µg/mL	BioRBC 6 µg/mL	BioRBC 18 µg/mL	BioRBC 54 µg/mL
PPG1B - Infants	60	60	60	60

Article	Year
Dietary intake of high-dose biotin inhibits spermatogenesis in young rats. Congenital anomalies, Volume: 55, Issue: 1	2015
Gliadin peptides induce tissue transglutaminase activation and ER-stress through Ca2+ mobilization in Caco-2 cells. PloS one, Volume: 7, Issue: 9	2012
Antihypertensive effect of biotin in stroke-prone spontaneously hypertensive rats. The British journal of nutrition, Volume: 99, Issue: 4	2008
Acute glucocorticoid treatment increases urinary biotin excretion and serum biotin. American journal of physiology. Endocrinology and metabolism, Volume: 282, Issue: 3	2002
Disturbances in biotin metabolism in children undergoing long-term anticonvulsant therapy. Journal of pediatric gastroenterology and nutrition, Volume: 26, Issue: 3	1998
Lipoic acid reduces the activities of biotin-dependent carboxylases in rat liver. The Journal of nutrition, Volume: 127, Issue: 9	1997
Urinary biotin analogs increase in humans during chronic supplementation: the analogs are biotin metabolites. The American journal of physiology, Volume: 272, Issue: 1 Pt 1	1997
Quantitative radioimmunocytochemical evidence that haloperidol and SCH 23390 induce opposite changes in substance P levels of rat substantia nigra. Brain research, Aug-02, Volume: 457, Issue: 1	1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Inhibiting Quorum Sensing by Active Targeted pH-Sensitive Nanoparticles for Enhanced Antibiotic Therapy of Biofilm-Associated Bacterial Infections. ACS nano, 06-13, Volume: 17, Issue: 11	2023
Assembly of pH-Responsive Antibody-Drug-Inspired Conjugates. Macromolecular bioscience, Volume: 22, Issue: 2	2022
QbD-Steered Development of Biotin-Conjugated Nanostructured Lipid Carriers for Oral Delivery of Chrysin: Role of Surface Modification for Improving Biopharmaceutical Performance. Colloids and surfaces. B, Biointerfaces, Volume: 197	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Development of novel biotinylated chitosan-decorated docetaxel-loaded nanocochleates for breast cancer targeting. Artificial cells, nanomedicine, and biotechnology, Volume: 46, Issue: sup2	2018
In vivo programming of endogenous antibodies via oral administration of adaptor ligands. Bioorganic & medicinal chemistry, 11-01, Volume: 25, Issue: 21	2017
Development and in vivo evaluation of functionalized ritonavir proliposomes for lymphatic targeting. Life sciences, Aug-15, Volume: 183	2017
Pharmacokinetics and pharmacodynamics of MD1003 (high-dose biotin) in the treatment of progressive multiple sclerosis. Expert opinion on drug metabolism & toxicology, Volume: 12, Issue: 3	2016
Modulation of transepithelial electric resistance (TEER) in reconstructed human epidermis by excipients known to permeate intestinal tight junctions. Experimental dermatology, Volume: 24, Issue: 9	2015
Nanostructured lipid carriers used for oral delivery of oridonin: an effect of ligand modification on absorption. International journal of pharmaceutics, Feb-20, Volume: 479, Issue: 2	2015
Preparation of camptothecin-loaded targeting nanoparticles and their antitumor effects on hepatocellular carcinoma cell line H22. Drug delivery, Volume: 23, Issue: 5	2016
New derivative of carnosine for nanoparticle assemblies. European journal of medicinal chemistry, Volume: 70	2013
Biotinidase knockout mice show cellular energy deficit and altered carbon metabolism gene expression similar to that of nutritional biotin deprivation: clues for the pathogenesis in the human inherited disorder. Molecular genetics and metabolism, Volume: 110, Issue: 3	2013
Consumption of a low-carbohydrate and high-fat diet (the ketogenic diet) exaggerates biotin deficiency in mice. Nutrition (Burbank, Los Angeles County, Calif.), Volume: 29, Issue: 10	2013
Molecular expression and functional activity of sodium dependent multivitamin transporter in human prostate cancer cells. International journal of pharmaceutics, Oct-15, Volume: 436, Issue: 1-2	2012
Targeted lipid based drug conjugates: a novel strategy for drug delivery. International journal of pharmaceutics, Sep-15, Volume: 434, Issue: 1-2	2012
Specificity and selectivity profile of EP217609: a new neutralizable dual-action anticoagulant that targets thrombin and factor Xa. Blood, Mar-08, Volume: 119, Issue: 10	2012
Biotinylated thermoresponsive core cross-linked nanoparticles via RAFT polymerization and "click" chemistry. Journal of colloid and interface science, Apr-01, Volume: 356, Issue: 1	2011
Bioconjugation of biotin to the interfaces of polymeric micelles via in situ click chemistry. Langmuir : the ACS journal of surfaces and colloids, Jan-20, Volume: 25, Issue: 2	2009
Preparation and characterization of salmon calcitonin-biotin conjugates. AAPS PharmSciTech, Volume: 9, Issue: 4	2008
A hydrophilic azacyclooctyne for Cu-free click chemistry. Organic letters, Jul-17, Volume: 10, Issue: 14	2008
Development of a scintillation proximity assay for human insulin-like growth factor-binding protein 4 compatible with inhibitor high-throughput screening. Analytical biochemistry, Jul-01, Volume: 366, Issue: 1	2007
Synthesis and characterization of biotinylated forms of insulin-like growth factor-1: topographical evaluation of the IGF-1/IGFBP-2 AND IGFBP-3 interface. Biochemistry, Sep-14, Volume: 43, Issue: 36	2004
Determination of the bioavailability of biotin conjugated onto shell cross-linked (SCK) nanoparticles. Journal of the American Chemical Society, Jun-02, Volume: 126, Issue: 21	2004
The impact of food processing on the nutritional quality of vitamins and minerals. Advances in experimental medicine and biology, Volume: 459	1999
Bioavailability of biotin given orally to humans in pharmacologic doses. The American journal of clinical nutrition, Volume: 69, Issue: 3	1999
Advanced analysis of biotin metabolites in body fluids allows a more accurate measurement of biotin bioavailability and metabolism in humans. The Journal of nutrition, Volume: 129, Issue: 2S Suppl	1999
Pharmacokinetics of cytotoxin from Chinese cobra (Naja naja atra) venom. Toxicon : official journal of the International Society on Toxinology, Volume: 31, Issue: 3	1993
Transport of the biotin dietary derivative biocytin (N-biotinyl-L-lysine) in rat small intestine. Gastroenterology, Volume: 104, Issue: 1	1993
The bioavailability of supplemental biotin in cattle. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 63, Issue: 2	1993
The rat as a model for evaluation of biotin bioavailability from feed ingredients for poultry and swine. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 57, Issue: 1	1987
Biotin bioavailability of protein supplements and cereal grains for starting turkey poults. Poultry science, Volume: 67, Issue: 9	1988
Studies on bioavailability of oral biotin doses for humans. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 59, Issue: 1	1989
Biotin bioavailability from protein supplements and cereal grains for growing broiler chickens. International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, Volume: 59, Issue: 1	1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Probiotic supplement combined with topical therapy in the treatment of mild to moderate acne: results from an Italian single centre interventional study. Italian journal of dermatology and venereology, Volume: 157, Issue: 6	2022
Targeted Nanobubbles of PD-L1 mAb Combined with Doxorubicin as a Synergistic Tumor Repressor in Hepatocarcinoma. International journal of nanomedicine, Volume: 17	2022
Chromosome conformation capture assay combined with biotin enrichment for hyperthermophilic archaea. STAR protocols, 06-18, Volume: 2, Issue: 2	2021
Treatment of brittle nail with a hydroxypropyl chitosan-based lacquer, alone or in combination with oral biotin: A randomized, assessor-blinded trial. Dermatologic therapy, Volume: 32, Issue: 5	2019
Specific Gene Capture Combined with Restriction-Fragment Release for Directly Fluorescent Genotyping of Single-Nucleotide Polymorphisms in Diagnosing Spinal Muscular Atrophy. Analytical chemistry, 10-02, Volume: 90, Issue: 19	2018
3D dosimetry in patients with early breast cancer undergoing Intraoperative Avidination for Radionuclide Therapy (IART) combined with external beam radiation therapy. European journal of nuclear medicine and molecular imaging, Volume: 39, Issue: 11	2012
Labeling small RNAs through chemical ligation at the 5' terminus: enzyme-free or combined with enzymatic 3'-labeling. Chembiochem : a European journal of chemical biology, Jul-09, Volume: 13, Issue: 10	2012
The added value of rabies virus as a retrograde tracer when combined with dual anterograde tract-tracing. Journal of neuroscience methods, Dec-15, Volume: 194, Issue: 1	2010
Detection of carbonyl-modified proteins in interfibrillar rat mitochondria using N'-aminooxymethylcarbonylhydrazino-D-biotin as an aldehyde/keto-reactive probe in combination with Western blot analysis and tandem mass spectrometry. Electrophoresis, Volume: 29, Issue: 6	2008
Detergent-free biotin switch combined with liquid chromatography/tandem mass spectrometry in the analysis of S-nitrosylated proteins. Rapid communications in mass spectrometry : RCM, Volume: 22, Issue: 8	2008
Simultaneous trichromatic fluorescence detection of proteins on Western blots using an amine-reactive dye in combination with alkaline phosphatase- and horseradish peroxidase-antibody conjugates. Proteomics, Volume: 3, Issue: 7	2003
Immunocytochemical detection of fos protein combined with anterograde tract-tracing using biotinylated dextran. Brain research. Brain research protocols, Volume: 5, Issue: 1	2000
MALDI mass spectrometry combined with avidin-biotin chemistry for analysis of protein modifications. Analytical chemistry, Apr-15, Volume: 70, Issue: 8	1998
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Exploiting the Sensitivity of Nutrient Transporter Deletion Strains in Discovery of Natural Product Antimetabolites. ACS infectious diseases, 12-08, Volume: 3, Issue: 12	2017
Binding affinities/avidities of antibody-antigen interactions: quantification and scale-up implications. Biotechnology and bioengineering, Dec-05, Volume: 95, Issue: 5	2006
A rapid sensitive monoclonal assay for lipid A in solution. Journal of immunological methods, Jul-24, Volume: 91, Issue: 2	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

biotin

Description

Cross-References

Synonyms (230)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (9)

Drug Classes (2)

Pathways (17)

Protein Targets (34)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (6)

Molecular Functions (3)

Ceullar Components (4)

Bioassays (103)

Research

Studies (14,196)

Study Types

Clinical Trials (34)

Trial Overview

Trial Outcomes

Number of Participants Experiencing Adverse Events

Number of Participants That Had bRBC Detectable at 70 Days Post-intervention

6-minute Walk Test

Absolute Change From Baseline at Week 48 for Medical Research Council (MRC) Subscore (Total Muscle) and Total Score

Change From Baseline at Week 48 for Timed 10-meter Walk Test

Distal Latency (Msec)

Excitability Testing: Supernormality (%)

F Wave Latency (Msec)

INCAT Sensory Sum Score (ISS)

Length of Motor Nerve Potential

Maximum Absolute Refractory Period (ms).

Minimum Absolute Refractory Period (ms).

Motor Nerve Conduction Velocity (m/Sec)

ONLS (Overall Neuropathy Limitations Scale)

Posturography Score

Refractoriness (%)

Rheobase (mA)

Strength-duration Time Constant (ms)

Length of Time Biotin-labeled Red Blood Cells Can be Detected Following Infusion

Percentage of Biotin Labeled Red Blood Cells

The Percentage of Red Blood Cell Osmotic Hemolysis

The Percentage of Red Blood Cell Oxidative Hemolysis

The Percentage of Storage Hemolysis

Proportion of Patients Improved on Either Expanded Disability Status Scale (EDSS) or Time to Walk 25 Feet (TW25)

Overall Survival

Dosimetry of Yttrium Y 90 DOTA-biotin

Incidence of Toxicity, Defined According to National Cancer Institute Common Terminology Criteria for Adverse Events Version 4.0

Number of Discrete Biotinylated RBC Densities (up to 5 Discrete Densities) That Can be Accurately Measured by Flow Cytometry, i.e., Without Overlap.

Number of Participants With Positive Antibody Screen in Response to Biotin-labeled RBCs.

Survival of Allogeneic RBCs in Days as Measured by the Antigenic Method Using Flow Cytometry for Comparison With BioRBC in Premature Infants

RBC Survival (Life Span) in Days of Multiple, Distinct BioRBC Density Populations of Transfused Allogeneic RBCs in Premature Infants.

RBC Survival (Life Span) in Days of Multiple, Distinct BioRBC Density Populations of Transfused Autologous RBCs in Adults and Premature Infants.

Related Drugs (4,046)

Related Conditions (6,366)

Research Highlights

Safety/Toxicity (36)

Long-term Use (9)

Pharmacokinetics (52)

Bioavailability (35)

Dosage (87)

Interactions (13)

Natural Sources (3)