diflunisal profile

Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (1)

diflunisal is involved in 1 pathway(s), involving a total of 29 unique proteins and 67 unique compounds

ID Source	ID
PubMed CID	3059
CHEMBL ID	898
CHEBI ID	39669
SCHEMBL ID	4337
MeSH ID	M0006367

Synonym
BIDD:GT0063
MLS001146895
AB00051969-12
BRD-K22031190-001-05-3
[1,1'-biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-
MLS000028678 ,
DIVK1C_000938
KBIO1_000938
dolobid
mk-647
2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid
reuflos
brn 2654431
fluniget
adomal
2',4'-difluoro-4-hydroxy-(1,1'-biphenyl)-3-carboxylic acid
unisal
diflunisalum [inn-latin]
mk 647
einecs 245-034-9
algobid
dolobis
flustar
fluodonil
flovacil
noaldol
citidol
(1,1'-biphenyl)-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-
3-biphenylcarboxylic acid, 2',4'-difluoro-4-hydroxy-
dolobid (tn)
D00130
diflunisal (jan/usp/inn)
SPECTRUM_000962
PRESTWICK_168
cas-22494-42-4
NCGC00016765-01
BSPBIO_002203
PRESTWICK3_000039
PRESTWICK2_000039
IDI1_000938
BSPBIO_000137
SPECTRUM5_000901
AB00051969
22494-42-4
C01691
diflunisal
2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
2',4'-difluoro-4-hydroxy-3-biphenylcarboxylic acid
2-(hydroxy)-5-(2,4-difluorophenyl)benzoic acid
CHEBI:39669 ,
5-(2,4-difluorophenyl)salicylic acid
DB00861
1FL ,
5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid
BPBIO1_000151
NCGC00022783-03
NCGC00022783-04
smr000058723
KBIO2_004010
KBIOSS_001442
KBIO3_001423
KBIOGR_001085
KBIO2_001442
KBIO2_006578
SPBIO_001163
SPECTRUM2_001012
NINDS_000938
SPECTRUM4_000513
PRESTWICK0_000039
SPECTRUM3_000392
PRESTWICK1_000039
SPBIO_002058
SPECTRUM1500245
NCGC00016765-02
mk647
HMS2090C16
HMS2091M20
bdbm50240510
nsc-756728
CHEMBL898 ,
5-[2,4-difluorophenyl]salicylic acid
HMS502O20
HMS1920G10
HMS1568G19
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
HMS2095G19
HMS3259G17
AKOS005762917
A816230
5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid;diflunisal
pharmakon1600-01500245
nsc756728
dtxsid5022932 ,
tox21_110598
dtxcid702932
S4609
CCG-40230
NCGC00016765-05
NCGC00016765-04
NCGC00016765-03
NCGC00016765-06
diflunisalum
unii-7c546u4den
7c546u4den ,
nsc 756728
diflunisal [usan:usp:inn:ban:jan]
dolobil
difludol
dolisal
FT-0630487
diflunisal [usp monograph]
diflunisal [usan]
diflunisal [vandf]
diflunisal [mi]
diflunisal [inn]
diflunisal [ep impurity]
diflunisal [orange book]
diflunisal [who-dd]
diflunisal [mart.]
diflunisal [jan]
diflunisal [usp impurity]
diflunisal [usp-rs]
gtpl7162
NC00506
SCHEMBL4337
tox21_110598_1
NCGC00016765-09
KS-1346
diflusinal
2',4'-difluoro-4-hydroxybipheny-3-carboxylic acid
2',4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid
2',4'-difluoro-4-hydroxy-(1',1-diphenyl)-3-carboxylic acid
AB00051969_13
OPERA_ID_803
mfcd00057834
2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid
SR-01000003165-2
sr-01000003165
diflunisal, united states pharmacopeia (usp) reference standard
diflunisal, analytical standard
diflunisal, european pharmacopoeia (ep) reference standard
J-014739
SR-01000003165-3
SBI-0051347.P003
HMS3712G19
HY-18342
1286107-99-0
CS-0007468
NCGC00016765-08
Q2602750
BCP09905
BRD-K22031190-001-13-7
HMS3885H10
EN300-3232727
2 inverted exclamation mark ,4 inverted exclamation mark -difluoro-4-hydroxybiphenyl-3-carboxylic acid
SY106650
D5875
diflunisal (ep impurity)
diflunisalum (inn-latin)
diflunisal (usan:usp:inn:ban:jan)
n02ba11
diflunisal (mart.)
diflunisal (usp impurity)
diflunisal (usp monograph)
diflunisal (usp-rs)

Excerpt	Reference
"Diflunisal is an approved non-steroidal anti-inflammatory drug that stabilizes TTR, with limited data available regarding effects on cardiac structure and function."	( Berk, JL; Connors, LH; Fox, J; Gopal, DM; Hellawell, J; Lohrmann, G; Maurer, MS; Mussinelli, R; Pipilas, A; Ruberg, FL; Siddiqi, OK; Vellanki, N, 2020)
"Diflunisal is a NSAID used in acute and long term management of pain and inflammation associated with osteoarthritis, rheumatoid arthritis and symptoms of primary dysmenorrhea. "	( Mortada, SM; Motawaa, AM; Sallam, MA, 2015)
"Diflunisal is a long-acting non-steroidal anti-inflammatory drug (NSAID) most commonly used to treat acute postoperative pain or chronic joint pain from osteoarthritis and rheumatoid arthritis. "	( Derry, S; McQuay, HJ; Moore, RA; Wasey, JO, 2010)
"Diflunisal is a salicylic acid derivative with analgesic and anti-inflammatory activity. "	( Avery, GS; Brogden, RN; Heel, RC; Pakes, GE; Speight, TM, 1980)
"Diflunisal is an effective analgesic and also has anit-inflammatory action."	( Schorn, D, 1981)
"Diflunisal is a difluorophenyl derivative of salicylic acid. "	( Arias, J; Fernández-Rivas, M; García, MA; Moral, A; Senent, CJ, 1995)
"Diflunisal was found to be an effective analgesic in mild to moderate pain of acute soft tissue injuries, and caused fewer and more tolerable side effects than did acetaminophen with codeine."	( DeForge, B; King, DE; Muncie, HL, 1986)
"Diflunisal is an alternative capable of improving the painful stiffness associated with AS."	( Franssen, MJ; Gribnau, FW; van de Putte, LB, 1986)
"Diflunisal is a salicylate derivative with analgesic and anti-inflammatory properties. "	( Lin, JH; Lyon, KA; Musson, DG; Tocco, DJ; Yeh, KC, 1985)

Excerpt	Reference
"Diflunisal has an analgesic effect similar to other NSAIDs in single dose, but benefits from providing significant analgesia for about twelve hours. "	( Derry, S; McQuay, HJ; Moore, RA; Wasey, JO, 2010)
"Diflunisal (DIF) has analgesic and anti-inflammatory activity. "	( El Ghobashy, MR; Farid, NF; Moatamed, RS; Naguib, IA, 2021)
"Diflunisal has an analgesic effect similar to other NSAIDs in single dose, but benefits from providing significant analgesia for about twelve hours. "	( Derry, S; McQuay, HJ; Moore, RA; Wasey, JO, 2010)

Excerpt	Reference
"Diflunisal is known to inhibit S."	( Cassat, JE; Guelcher, SA; Hammer, ND; Hendrix, AS; Putnam, NE; Skaar, EP; Snyder, DJ; Spoonmore, TJ; Wilde, AD, 2016)

Excerpt	Reference
"Treatment with diflunisal 30 minutes after completion of surgery proved to be just as effective in suppressing postsurgical pain as presurgical administration."	( Martin, RP; Mosley, RO; Sisk, AL, 1989)

Role	Description
non-steroidal anti-inflammatory drug	An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
non-narcotic analgesic	A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
[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
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
monohydroxybenzoic acid	Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring.
[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
Diflunisal Action Pathway	29	67

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.1995	0.0032	45.4673	12,589.2998	AID2517
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	21.9643	0.1409	11.1940	39.8107	AID2451
Chain A, HADH2 protein	Homo sapiens (human)	Potency	22.1061	0.0251	20.2376	39.8107	AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	22.1061	0.0251	20.2376	39.8107	AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	24.1320	0.1778	14.3909	39.8107	AID2147
Luciferase	Photinus pyralis (common eastern firefly)	Potency	20.6875	0.0072	15.7588	89.3584	AID1224835; AID588342; AID624030
SMAD family member 2	Homo sapiens (human)	Potency	9.5837	0.1737	34.3047	61.8120	AID1346859; AID1346924
SMAD family member 3	Homo sapiens (human)	Potency	9.5837	0.1737	34.3047	61.8120	AID1346859; AID1346924
TDP1 protein	Homo sapiens (human)	Potency	23.2626	0.0008	11.3822	44.6684	AID686978; AID686979
AR protein	Homo sapiens (human)	Potency	5.5556	0.0002	21.2231	8,912.5098	AID743035; AID743036; AID743053
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	22.1969	0.0112	12.4002	100.0000	AID1030
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)	Homo sapiens (human)	Potency	5.0119	0.0013	7.7625	44.6684	AID914; AID915
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	22.0412	0.0006	57.9133	22,387.1992	AID1259377; AID1259378
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	22.6903	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	11.9856	0.0008	17.5051	59.3239	AID1159527
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	10.4049	0.0015	30.6073	15,848.9004	AID1224841; AID1224849; AID1259401; AID1259403
farnesoid X nuclear receptor	Homo sapiens (human)	Potency	11.8823	0.3758	27.4851	61.6524	AID743217; AID743220
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	0.7664	0.0002	29.3054	16,493.5996	AID743069; AID743075
G	Vesicular stomatitis virus	Potency	38.9018	0.0123	8.9648	39.8107	AID1645842
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	23.2601	0.0010	24.5048	61.6448	AID743212; AID743215; AID743227
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	18.8322	0.0010	19.4141	70.9645	AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	10.6822	0.0237	23.2282	63.5986	AID743223
activating transcription factor 6	Homo sapiens (human)	Potency	13.4481	0.1434	27.6121	59.8106	AID1159516
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a	Homo sapiens (human)	Potency	0.5354	19.7391	45.9784	64.9432	AID1159509
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	25.1189	0.0018	15.6638	39.8107	AID894
ubiquitin carboxyl-terminal hydrolase 2 isoform a	Homo sapiens (human)	Potency	6.3096	0.6561	9.4520	25.1189	AID927
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	16.0822	0.0006	27.2152	1,122.0200	AID743202; AID743219
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	0.0631	0.0079	8.2332	1,122.0200	AID2551
lamin isoform A-delta10	Homo sapiens (human)	Potency	5.0910	0.8913	12.0676	28.1838	AID1487
Interferon beta	Homo sapiens (human)	Potency	38.9018	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	38.9018	0.0123	8.9648	39.8107	AID1645842
Cellular tumor antigen p53	Homo sapiens (human)	Potency	2.0199	0.0023	19.5956	74.0614	AID651631
Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)	Potency	6.3096	1.5849	13.0043	25.1189	AID927
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	38.9018	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	38.9018	0.0123	8.9648	39.8107	AID1645842
[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)
Dihydrofolate reductase	Homo sapiens (human)	Ki	34.0000	0.0000	0.3756	4.9000	AID1660990
Carbonic anhydrase 1	Homo sapiens (human)	IC50 (µMol)	3.3800	0.0058	2.1410	7.9000	AID349140
Carbonic anhydrase 1	Homo sapiens (human)	Ki	8.4500	0.0000	1.3726	10.0000	AID349142
Carbonic anhydrase 2	Homo sapiens (human)	IC50 (µMol)	2.7000	0.0002	1.1060	8.3000	AID349141
Carbonic anhydrase 2	Homo sapiens (human)	Ki	9.3700	0.0000	0.7236	9.9200	AID349145
Transthyretin	Homo sapiens (human)	IC50 (µMol)	7.1000	0.1600	4.2921	10.0000	AID1074430; AID1614588; AID1755162; AID1774080
Solute carrier family 22 member 6	Homo sapiens (human)	IC50 (µMol)	0.8500	0.2700	4.5306	9.9000	AID681160
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)	Ki	2.5600	2.5600	2.5600	2.5600	AID1744124
[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)
electroneutral potassium-chloride cotransporter KCC2	Homo sapiens (human)	EC50 (µMol)	3.2500	0.4810	1.5303	2.3100	AID1736
Transthyretin	Homo sapiens (human)	EC50 (µMol)	5.6000	5.6000	7.5429	8.6000	AID1169291
Transthyretin	Homo sapiens (human)	Kd	1.7770	0.0030	1.3482	10.0000	AID1239060; AID1386000; AID1605604; AID1705462; AID1705465; AID1774086
Albumin	Homo sapiens (human)	Kd	2.1151	0.0893	3.3135	8.0000	AID1450923; AID327170
High mobility group protein B1	Homo sapiens (human)	Kd	1,600.0000	0.0240	0.6310	1.0000	AID1773958
[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)
Transthyretin	Homo sapiens (human)	Kd1	0.0750	0.0600	0.1717	0.3800	AID210956
Transthyretin	Homo sapiens (human)	Kd2	1.1000	1.1000	2.8267	6.1800	AID210957
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
tetrahydrobiopterin biosynthetic process	Dihydrofolate reductase	Homo sapiens (human)
one-carbon metabolic process	Dihydrofolate reductase	Homo sapiens (human)
negative regulation of translation	Dihydrofolate reductase	Homo sapiens (human)
axon regeneration	Dihydrofolate reductase	Homo sapiens (human)
response to methotrexate	Dihydrofolate reductase	Homo sapiens (human)
dihydrofolate metabolic process	Dihydrofolate reductase	Homo sapiens (human)
tetrahydrofolate metabolic process	Dihydrofolate reductase	Homo sapiens (human)
tetrahydrofolate biosynthetic process	Dihydrofolate reductase	Homo sapiens (human)
folic acid metabolic process	Dihydrofolate reductase	Homo sapiens (human)
positive regulation of nitric-oxide synthase activity	Dihydrofolate reductase	Homo sapiens (human)
regulation of removal of superoxide radicals	Dihydrofolate reductase	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 1	Homo sapiens (human)
morphogenesis of an epithelium	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of cellular pH reduction	Carbonic anhydrase 2	Homo sapiens (human)
angiotensin-activated signaling pathway	Carbonic anhydrase 2	Homo sapiens (human)
regulation of monoatomic anion transport	Carbonic anhydrase 2	Homo sapiens (human)
secretion	Carbonic anhydrase 2	Homo sapiens (human)
regulation of intracellular pH	Carbonic anhydrase 2	Homo sapiens (human)
neuron cellular homeostasis	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of dipeptide transmembrane transport	Carbonic anhydrase 2	Homo sapiens (human)
regulation of chloride transport	Carbonic anhydrase 2	Homo sapiens (human)
carbon dioxide transport	Carbonic anhydrase 2	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 2	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signal transduction	Transthyretin	Homo sapiens (human)
purine nucleobase metabolic process	Transthyretin	Homo sapiens (human)
cellular response to starvation	Albumin	Homo sapiens (human)
negative regulation of mitochondrial depolarization	Albumin	Homo sapiens (human)
cellular response to calcium ion starvation	Albumin	Homo sapiens (human)
cellular oxidant detoxification	Albumin	Homo sapiens (human)
transport	Albumin	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	High mobility group protein B1	Homo sapiens (human)
myeloid dendritic cell activation	High mobility group protein B1	Homo sapiens (human)
activation of innate immune response	High mobility group protein B1	Homo sapiens (human)
dendritic cell chemotaxis	High mobility group protein B1	Homo sapiens (human)
inflammatory response to antigenic stimulus	High mobility group protein B1	Homo sapiens (human)
regulation of tolerance induction	High mobility group protein B1	Homo sapiens (human)
regulation of T cell mediated immune response to tumor cell	High mobility group protein B1	Homo sapiens (human)
DNA topological change	High mobility group protein B1	Homo sapiens (human)
double-strand break repair via nonhomologous end joining	High mobility group protein B1	Homo sapiens (human)
DNA recombination	High mobility group protein B1	Homo sapiens (human)
autophagy	High mobility group protein B1	Homo sapiens (human)
inflammatory response	High mobility group protein B1	Homo sapiens (human)
signal transduction	High mobility group protein B1	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	High mobility group protein B1	Homo sapiens (human)
positive regulation of autophagy	High mobility group protein B1	Homo sapiens (human)
negative regulation of RNA polymerase II transcription preinitiation complex assembly	High mobility group protein B1	Homo sapiens (human)
neuron projection development	High mobility group protein B1	Homo sapiens (human)
heterochromatin formation	High mobility group protein B1	Homo sapiens (human)
regulation of restriction endodeoxyribonuclease activity	High mobility group protein B1	Homo sapiens (human)
DNA geometric change	High mobility group protein B1	Homo sapiens (human)
positive regulation of mismatch repair	High mobility group protein B1	Homo sapiens (human)
negative regulation of type II interferon production	High mobility group protein B1	Homo sapiens (human)
positive regulation of interleukin-1 production	High mobility group protein B1	Homo sapiens (human)
positive regulation of interleukin-10 production	High mobility group protein B1	Homo sapiens (human)
positive regulation of interleukin-12 production	High mobility group protein B1	Homo sapiens (human)
positive regulation of interleukin-6 production	High mobility group protein B1	Homo sapiens (human)
positive regulation of interleukin-8 production	High mobility group protein B1	Homo sapiens (human)
positive regulation of tumor necrosis factor production	High mobility group protein B1	Homo sapiens (human)
V(D)J recombination	High mobility group protein B1	Homo sapiens (human)
positive regulation of toll-like receptor 9 signaling pathway	High mobility group protein B1	Homo sapiens (human)
T-helper 1 cell activation	High mobility group protein B1	Homo sapiens (human)
positive regulation of activated T cell proliferation	High mobility group protein B1	Homo sapiens (human)
positive regulation of apoptotic process	High mobility group protein B1	Homo sapiens (human)
apoptotic cell clearance	High mobility group protein B1	Homo sapiens (human)
positive regulation of cysteine-type endopeptidase activity involved in apoptotic process	High mobility group protein B1	Homo sapiens (human)
negative regulation of CD4-positive, alpha-beta T cell differentiation	High mobility group protein B1	Homo sapiens (human)
positive regulation of DNA binding	High mobility group protein B1	Homo sapiens (human)
positive regulation of MAPK cascade	High mobility group protein B1	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	High mobility group protein B1	Homo sapiens (human)
negative regulation of blood vessel endothelial cell migration	High mobility group protein B1	Homo sapiens (human)
T-helper 1 cell differentiation	High mobility group protein B1	Homo sapiens (human)
innate immune response	High mobility group protein B1	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	High mobility group protein B1	Homo sapiens (human)
positive regulation of JNK cascade	High mobility group protein B1	Homo sapiens (human)
positive regulation of viral entry into host cell	High mobility group protein B1	Homo sapiens (human)
positive chemotaxis	High mobility group protein B1	Homo sapiens (human)
positive regulation of DNA ligation	High mobility group protein B1	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	High mobility group protein B1	Homo sapiens (human)
cellular response to lipopolysaccharide	High mobility group protein B1	Homo sapiens (human)
positive regulation of monocyte chemotaxis	High mobility group protein B1	Homo sapiens (human)
neutrophil clearance	High mobility group protein B1	Homo sapiens (human)
positive regulation of vascular endothelial cell proliferation	High mobility group protein B1	Homo sapiens (human)
positive regulation of chemokine (C-X-C motif) ligand 2 production	High mobility group protein B1	Homo sapiens (human)
negative regulation of apoptotic cell clearance	High mobility group protein B1	Homo sapiens (human)
positive regulation of dendritic cell differentiation	High mobility group protein B1	Homo sapiens (human)
regulation of transcription by RNA polymerase II	High mobility group protein B1	Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to hypoxia	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
neutrophil mediated immunity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
germinal center formation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of leukocyte chemotaxis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
proteolysis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane protein ectodomain proteolysis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell adhesion	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch receptor processing	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell population proliferation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to xenobiotic stimulus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of T cell chemotaxis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
protein processing	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
signal release	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
B cell differentiation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell growth	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cell migration	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
response to lipopolysaccharide	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of chemokine production	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of tumor necrosis factor production	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
regulation of mast cell apoptotic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
T cell differentiation in thymus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell adhesion mediated by integrin	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
wound healing, spreading of epidermal cells	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
amyloid precursor protein catabolic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of cyclin-dependent protein serine/threonine kinase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of epidermal growth factor-activated receptor activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
spleen development	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell motility	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
defense response to Gram-positive bacterium	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cellular response to high density lipoprotein particle stimulus	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
commissural neuron axon guidance	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of tumor necrosis factor-mediated signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
positive regulation of vascular endothelial cell proliferation	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch signaling pathway	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
monoatomic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
response to organic cyclic compound	Solute carrier family 22 member 6	Homo sapiens (human)
inorganic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
organic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 6	Homo sapiens (human)
alpha-ketoglutarate transport	Solute carrier family 22 member 6	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 6	Homo sapiens (human)
sodium-independent organic anion transport	Solute carrier family 22 member 6	Homo sapiens (human)
transmembrane transport	Solute carrier family 22 member 6	Homo sapiens (human)
metanephric proximal tubule development	Solute carrier family 22 member 6	Homo sapiens (human)
renal tubular secretion	Solute carrier family 22 member 6	Homo sapiens (human)
tryptophan catabolic process	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
negative regulation of quinolinate biosynthetic process	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
picolinic acid biosynthetic process	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
regulation of 'de novo' NAD biosynthetic process from tryptophan	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
secondary metabolic process	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
mRNA regulatory element binding translation repressor activity	Dihydrofolate reductase	Homo sapiens (human)
mRNA binding	Dihydrofolate reductase	Homo sapiens (human)
dihydrofolate reductase activity	Dihydrofolate reductase	Homo sapiens (human)
folic acid binding	Dihydrofolate reductase	Homo sapiens (human)
NADPH binding	Dihydrofolate reductase	Homo sapiens (human)
sequence-specific mRNA binding	Dihydrofolate reductase	Homo sapiens (human)
NADP binding	Dihydrofolate reductase	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 1	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
protein binding	Carbonic anhydrase 1	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 1	Homo sapiens (human)
hydro-lyase activity	Carbonic anhydrase 1	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 2	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
protein binding	Carbonic anhydrase 2	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 2	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
hormone activity	Transthyretin	Homo sapiens (human)
protein binding	Transthyretin	Homo sapiens (human)
identical protein binding	Transthyretin	Homo sapiens (human)
thyroid hormone binding	Transthyretin	Homo sapiens (human)
oxygen binding	Albumin	Homo sapiens (human)
DNA binding	Albumin	Homo sapiens (human)
fatty acid binding	Albumin	Homo sapiens (human)
copper ion binding	Albumin	Homo sapiens (human)
protein binding	Albumin	Homo sapiens (human)
toxic substance binding	Albumin	Homo sapiens (human)
antioxidant activity	Albumin	Homo sapiens (human)
pyridoxal phosphate binding	Albumin	Homo sapiens (human)
identical protein binding	Albumin	Homo sapiens (human)
protein-folding chaperone binding	Albumin	Homo sapiens (human)
exogenous protein binding	Albumin	Homo sapiens (human)
enterobactin binding	Albumin	Homo sapiens (human)
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
four-way junction DNA binding	High mobility group protein B1	Homo sapiens (human)
bubble DNA binding	High mobility group protein B1	Homo sapiens (human)
transcription cis-regulatory region binding	High mobility group protein B1	Homo sapiens (human)
lipopolysaccharide binding	High mobility group protein B1	Homo sapiens (human)
phosphatidylserine binding	High mobility group protein B1	Homo sapiens (human)
damaged DNA binding	High mobility group protein B1	Homo sapiens (human)
double-stranded DNA binding	High mobility group protein B1	Homo sapiens (human)
single-stranded DNA binding	High mobility group protein B1	Homo sapiens (human)
transcription coactivator activity	High mobility group protein B1	Homo sapiens (human)
transcription corepressor activity	High mobility group protein B1	Homo sapiens (human)
RNA binding	High mobility group protein B1	Homo sapiens (human)
cytokine activity	High mobility group protein B1	Homo sapiens (human)
integrin binding	High mobility group protein B1	Homo sapiens (human)
protein binding	High mobility group protein B1	Homo sapiens (human)
DNA binding, bending	High mobility group protein B1	Homo sapiens (human)
lyase activity	High mobility group protein B1	Homo sapiens (human)
C-X-C chemokine binding	High mobility group protein B1	Homo sapiens (human)
chemoattractant activity	High mobility group protein B1	Homo sapiens (human)
receptor ligand activity	High mobility group protein B1	Homo sapiens (human)
RAGE receptor binding	High mobility group protein B1	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	High mobility group protein B1	Homo sapiens (human)
DNA polymerase binding	High mobility group protein B1	Homo sapiens (human)
supercoiled DNA binding	High mobility group protein B1	Homo sapiens (human)
DNA-binding transcription factor binding	High mobility group protein B1	Homo sapiens (human)
endopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metalloendopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Notch binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
interleukin-6 receptor binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
integrin binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
protein binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
peptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metallopeptidase activity	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
SH3 domain binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytokine binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
PDZ domain binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
tumor necrosis factor binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metal ion binding	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
metalloendopeptidase activity involved in amyloid precursor protein catabolic process	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
solute:inorganic anion antiporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
protein binding	Solute carrier family 22 member 6	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
alpha-ketoglutarate transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
antiporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
chloride ion binding	Solute carrier family 22 member 6	Homo sapiens (human)
identical protein binding	Solute carrier family 22 member 6	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
sodium-independent organic anion transmembrane transporter activity	Solute carrier family 22 member 6	Homo sapiens (human)
aminocarboxymuconate-semialdehyde decarboxylase activity	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
protein binding	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
zinc ion binding	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
hydrolase activity	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
mitochondrion	Dihydrofolate reductase	Homo sapiens (human)
cytosol	Dihydrofolate reductase	Homo sapiens (human)
mitochondrion	Dihydrofolate reductase	Homo sapiens (human)
cytosol	Carbonic anhydrase 1	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 1	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
cytosol	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
myelin sheath	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 2	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular region	Transthyretin	Homo sapiens (human)
extracellular space	Transthyretin	Homo sapiens (human)
azurophil granule lumen	Transthyretin	Homo sapiens (human)
extracellular exosome	Transthyretin	Homo sapiens (human)
extracellular space	Transthyretin	Homo sapiens (human)
extracellular region	Albumin	Homo sapiens (human)
extracellular space	Albumin	Homo sapiens (human)
nucleus	Albumin	Homo sapiens (human)
endoplasmic reticulum	Albumin	Homo sapiens (human)
endoplasmic reticulum lumen	Albumin	Homo sapiens (human)
Golgi apparatus	Albumin	Homo sapiens (human)
platelet alpha granule lumen	Albumin	Homo sapiens (human)
extracellular exosome	Albumin	Homo sapiens (human)
blood microparticle	Albumin	Homo sapiens (human)
protein-containing complex	Albumin	Homo sapiens (human)
cytoplasm	Albumin	Homo sapiens (human)
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
extracellular space	High mobility group protein B1	Homo sapiens (human)
condensed chromosome	High mobility group protein B1	Homo sapiens (human)
extracellular region	High mobility group protein B1	Homo sapiens (human)
extracellular space	High mobility group protein B1	Homo sapiens (human)
nucleus	High mobility group protein B1	Homo sapiens (human)
nucleoplasm	High mobility group protein B1	Homo sapiens (human)
endosome	High mobility group protein B1	Homo sapiens (human)
endoplasmic reticulum	High mobility group protein B1	Homo sapiens (human)
endoplasmic reticulum-Golgi intermediate compartment	High mobility group protein B1	Homo sapiens (human)
cell surface	High mobility group protein B1	Homo sapiens (human)
secretory granule lumen	High mobility group protein B1	Homo sapiens (human)
ficolin-1-rich granule lumen	High mobility group protein B1	Homo sapiens (human)
transcription repressor complex	High mobility group protein B1	Homo sapiens (human)
alphav-beta3 integrin-HMGB1 complex	High mobility group protein B1	Homo sapiens (human)
cell-cell junction	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
focal adhesion	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
ruffle membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
Golgi membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytoplasm	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
endoplasmic reticulum lumen	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cytosol	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
cell surface	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
actin cytoskeleton	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
apical plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
membrane raft	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Disintegrin and metalloproteinase domain-containing protein 17	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
caveola	Solute carrier family 22 member 6	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 6	Homo sapiens (human)
extracellular exosome	Solute carrier family 22 member 6	Homo sapiens (human)
protein-containing complex	Solute carrier family 22 member 6	Homo sapiens (human)
cytosol	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
cytosol	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
cytoplasm	2-amino-3-carboxymuconate-6-semialdehyde decarboxylase	Homo sapiens (human)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (309)

Assay ID	Title	Year	Journal	Article
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation 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.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation 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.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation 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.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation 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.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation 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.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation 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.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation 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.
AID588218	FDA HLAED, lactate dehydrogenase (LDH) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1774081	Stabilization of TTR V3OM mutant (unknown origin) assessed as suppression of TTR tetramer dissociation at 1 to 10 uM incubated for 9 days by glutaraldehyde cross-linking assay based SDS-PAGE analysis	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID496817	Antimicrobial activity against Trypanosoma cruzi	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1774078	Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 4 uM incubated for 1 week by absorbance method	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1413213	Potentiation of erythromycin-induced antibacterial activity against Escherichia coli ATCC 43894 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413190	Potentiation of geneticin-induced antibacterial activity against Streptococcus pyogenes ATCC 14289 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1529184	Protein binding in immobilized human serum albumin by HPLC analysis	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design.
AID588214	FDA HLAED, liver enzyme composite activity	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID625285	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis	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).
AID1276647	Cytotoxicity against human Mahlavu cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID349142	Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot	2008	Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20	In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.
AID624619	Specific activity of expressed human recombinant UGT2B7	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID1705462	Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Transthyretin Amyloidogenesis Inhibitors: From Discovery to Current Developments.
AID1136207	Inhibition of PG synthase (unknown origin)	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1239061	Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blot analysis	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma.
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.
AID1614577	Inhibition of TTR V30M mutant (unknown origin)-mediated amyloid fibril formation expressed in Escherichia coli assessed as amyloid fibril percentage at 1.5 uM after 4 days by thioflavin-T-fluorescence based assay (Rvb = 100%)	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID588217	FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1413170	Antiinflammatory activity in human PBMC-differentiated macrophages assessed as inhibition of LPS-induced TNFalpha production at 0.01 to 10 uM measured after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1774080	Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance method	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID624661	Inhibition of mycophenolic acid (0.5 mM) glucuronidation by human kidney microsomes	2005	Pharmacology & therapeutics, Apr, Volume: 106, Issue:1	UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID52790	Inhibition of chymotrypsin at 250 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
AID1136198	Plasma concentration in human at 250 mg/kg, po after 2 hrs	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1450923	Binding affinity to human serum albumin	2017	Journal of medicinal chemistry, 09-14, Volume: 60, Issue:17	Peptide Half-Life Extension: Divalent, Small-Molecule Albumin Interactions Direct the Systemic Properties of Glucagon-Like Peptide 1 (GLP-1) Analogues.
AID625287	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly	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).
AID29359	Ionization constant (pKa)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID624615	Specific activity of expressed human recombinant UGT2B10	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID1413195	Potentiation of geneticin-induced antibacterial activity against Klebsiella pneumoniae ATCC 13883 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1136213	Analgesic activity in po dosed rat by hyperesthesia test	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Synthesis and analgesic-antiinflammatory activity of some 4- and 5-substituted heteroarylsalicylic acids.
AID29811	Oral bioavailability in human	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID1276646	Cytotoxicity against human Hep3B cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID409956	Inhibition of mouse brain MAOB	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID28681	Partition coefficient (logD6.5)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID625288	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice	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).
AID625286	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis	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).
AID496831	Antimicrobial activity against Cryptosporidium parvum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1276651	Induction of apoptosis in human HuH7 cells assessed as DNA fragmentation at IC50 after 72 hrs by hoechst 33258 staining based fluorescence microscopy	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID1705465	Stabilization of TTR V30M mutant (unknown origin) assessed as inhibition of protein-mediated amyloid fibril formation	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Transthyretin Amyloidogenesis Inhibitors: From Discovery to Current Developments.
AID625282	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis	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).
AID1614596	Stabilization of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as formation of TTR tetramer band formation at 2 uM after 4 mins by SDS-PAGE analysis based glutaraldehyde cross-linking assay	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID1413203	Potentiation of erythromycin-induced antibacterial activity against Enterococcus faecium ATCC 700221 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID624612	Specific activity of expressed human recombinant UGT1A9	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID1529182	Protein binding in plasma (unknown origin)	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design.
AID588215	FDA HLAED, alkaline phosphatase increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID781330	pKa (acid-base dissociation constant) as determined by potentiometric titration	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1413207	Potentiation of tetracycline-induced antibacterial activity against Pseudomonas aeruginosa ATCC BAA-2108 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1136202	Drug excretion in human urine after 96 hrs	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID681160	TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells	2000	The Journal of pharmacology and experimental therapeutics, Oct, Volume: 295, Issue:1	Nonsteroidal anti-inflammatory drugs efficiently reduce the transport and cytotoxicity of adefovir mediated by the human renal organic anion transporter 1.
AID1413181	Toxicity in Enterococcus faecium ATCC 700221 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1744121	Inhibition of human ACMSD assessed as QUIN level at 1 mM by HPLC analysis (Rvb = 16.4 +/- 2.9%)	2021	Journal of medicinal chemistry, 01-14, Volume: 64, Issue:1	Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
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.
AID1413206	Potentiation of ciprofloxacin-induced antibacterial activity against Pseudomonas aeruginosa ATCC BAA-2108 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413177	Induction of prostaglandin production in human PBMC-differentiated macrophages after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID327169	Apparent permeability across parallel artificial membrane	2008	Journal of medicinal chemistry, Apr-10, Volume: 51, Issue:7	New approach to measure protein binding based on a parallel artificial membrane assay and human serum albumin.
AID89369	Transthyretin (TTR) amyloidogenesis inhibition activity by employing an acid-mediated (pH 4.4) WTTTR amyloid fibril formation assay, at 7.2 uM conc.	2004	Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2	Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
AID1413188	Potentiation of erythromycin-induced antibacterial activity against Staphylococcus aureus ATCC 33592 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1614588	Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presence of 150 mM Na+ by fluorescence-based assay (Rvb = 3 uM)	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID496820	Antimicrobial activity against Trypanosoma brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1529187	Binding affinity to human serum albumin assessed as change in dissociation constant pKa2 of compound in aqueous medium to presence of human serum albumin by UV-pH titration based spectrophotometric analysis	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design.
AID574422	Inhibition of wild type-TTR expressed in Escherichia coli assessed as amyloid fibril formation at pH 4.4 at 7. 2 uM after 72 hrs by acid-mediated aggregation assay relative to control	2011	Bioorganic & medicinal chemistry, Feb-15, Volume: 19, Issue:4	A competition assay to identify amyloidogenesis inhibitors by monitoring the fluorescence emitted by the covalent attachment of a stilbene derivative to transthyretin.
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1413196	Potentiation of ciprofloxacin-induced antibacterial activity against Klebsiella pneumoniae ATCC 13883 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413192	Potentiation of tetracycline-induced antibacterial activity against Streptococcus pyogenes ATCC 14289 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID349140	Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry	2008	Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20	In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.
AID1386009	Binding affinity to transthyretin in human serum assessed as protein occupancy at 2:1 compound to TTR ratio after 72 hrs by fluorescent probe exclusion assay	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1474166	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1901404	Destabilization of human LDH-1expressed in Escherichia coli assessed as change in melting temperature at 1 mM heated for 3 mins by NanoDSF assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID1413209	Potentiation of methicillin-induced antibacterial activity against Escherichia coli ATCC 43894 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1386013	Cmax in human at 250 mg bid	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID625283	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests	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).
AID1413174	Induction of TNFalpha production in human PBMC-differentiated macrophages after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
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.
AID210956	The first dissociation constant for binding to WT TTR determined by isothermal titration calorimetry (25 C, pH 8.0)	2004	Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2	Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1901397	Stabilization of Red-dye-NHS fluorescent-labeled human LDH-Htr expressed in Escherichia coli assessed as dissociation constant by MST assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1054847	Inhibition of human recombinant TTR Y78F mutant-mediated fibrillogenesis at 40 uM after 30 mins by turbidimetric assay relative to control	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation.
AID625289	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease	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).
AID1413176	Induction of IL-1beta production in human PBMC-differentiated macrophages after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID106806	Inhibition of malate dehydrogenase (MDH) at 400 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1276645	Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID1386007	Binding affinity to transthyretin (unknown origin) assessed as free TdeltaS changes by ITC method	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1276649	Cytotoxicity against human SNU475 cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID1605604	Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (12 to 28) complex formation at 200 uM at 25 degC pre-incubated with transthyretin before amyloid beta (12 t
AID624618	Specific activity of expressed human recombinant UGT2B4	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID1054848	Inhibition of human recombinant TTR Y78F mutant-mediated fibrillogenesis after 30 mins by turbidimetric assay	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation.
AID1605603	Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as fibril formation at 50 uM pre-incubated with transthyretin before amyloid beta (1 to 42) addition by ThT fluorescence assay (Rvb = 25 +/- 1%)
AID624662	Inhibition of mycophenolic acid (1 mM) glucuronidation by human UGT enzymes from liver microsomes	2005	Pharmacology & therapeutics, Apr, Volume: 106, Issue:1	UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID1413185	Potentiation of geneticin-induced antibacterial activity against Staphylococcus aureus ATCC 33592 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
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.
AID1901398	Destabilization of Red-dye-NHS fluorescent-labeled human LDH-5 expressed in Escherichia coli assessed as dissociation constant by MST assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID496827	Antimicrobial activity against Leishmania amazonensis	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID639952	Inhibition of TNF-alpha-induced NF-kappaB activation in human HCT116 cells at 1 mM after 6 hrs by luciferase reporter gene assay	2012	European journal of medicinal chemistry, Feb, Volume: 48	Structure-activity relationship of salicylic acid derivatives on inhibition of TNF-α dependent NFκB activity: Implication on anti-inflammatory effect of N-(5-chlorosalicyloyl)phenethylamine against experimental colitis.
AID1413205	Potentiation of geneticin-induced antibacterial activity against Pseudomonas aeruginosa ATCC BAA-2108 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1169294	Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation at 20 uM by fluorescence assay	2014	Journal of medicinal chemistry, Nov-13, Volume: 57, Issue:21	Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin.
AID1413194	Potentiation of methicillin-induced antibacterial activity against Klebsiella pneumoniae ATCC 13883 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1136205	Analgesic activity in po dosed dog knee joint pain model	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1413182	Toxicity in Pseudomonas aeruginosa ATCC BAA-2108 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID1413191	Potentiation of ciprofloxacin-induced antibacterial activity against Streptococcus pyogenes ATCC 14289 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID443729	Antiinflammatory activity against assessed as inhibition of carrageenan-induced foot paw edema in po dosed rat after 3 hrs	2009	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 19, Issue:24	Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory ac
AID1136210	Toxicity in rat assessed as gastric hemorrhage at 256 mg/kg, po	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1598718	Binding affinity to Triton-X 100 assessed as change in chemical shift at 150 uM by 1H-NMR spectra analysis	2019	Journal of medicinal chemistry, 05-23, Volume: 62, Issue:10	Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators.
AID1136206	Analgesic activity in po dosed rat assessed as inhibition of adjuvant-induced arthritis pain	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID625279	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia	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).
AID624608	Specific activity of expressed human recombinant UGT1A4	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID496829	Antimicrobial activity against Leishmania infantum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
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.
AID772085	Inhibition of transthyretin (unknown origin) aggregation at 2 mol equiv measured at 36 hrs by congo red assay relative to control	2013	ACS medicinal chemistry letters, Sep-12, Volume: 4, Issue:9	Designed Trpzip-3 β-Hairpin Inhibits Amyloid Formation in Two Different Amyloid Systems.
AID604744	Displacement of radiolabeled dansylsarcosine from fatty acid containing human serum albumin site 2 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy	2010	Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21	A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions.
AID1724082	Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) assessed as fibril formation at 7.2 uM preincubated for 30 mins with transthyretin followed by measuring after 72 hrs maintaining pH of 4.4 by UV-Visible spectrophotome	2020	Bioorganic & medicinal chemistry, 09-15, Volume: 28, Issue:18	Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
AID409954	Inhibition of mouse brain MAOA	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID89368	Transthyretin (TTR) amyloidogenesis inhibition activity by employing an acid-mediated (pH 4.4) WTTTR amyloid fibril formation assay, at 3.6 uM conc.	2004	Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2	Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
AID1074430	Inhibition of transthyretin V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of sodium acetate-mediated aggregation preincubated for 30 mins followed by sodium acetate addition measured after 96 hrs by thioflavin T assay	2014	Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3	Crystal structures of human transthyretin complexed with glabridin.
AID1054846	Binding affinity to human recombinant TTR Y78F mutant after 5 mins by isothermal titration calorimetry	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation.
AID604743	Displacement of radiolabeled warfarin from fatty acid containing human serum albumin site 1 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy	2010	Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21	A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions.
AID625284	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure	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).
AID588216	FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1413186	Potentiation of ciprofloxacin-induced antibacterial activity against Staphylococcus aureus ATCC 33592 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID373867	Hepatic clearance in human hepatocytes in absence of fetal calf serum	2009	European journal of medicinal chemistry, Apr, Volume: 44, Issue:4	First-principle, structure-based prediction of hepatic metabolic clearance values in human.
AID396471	Analgesic activity in Kunming mouse assessed as inhibition of acetic acid-induced writhing response at 40 mg/kg, po	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID781329	pKa (acid-base dissociation constant) as determined by other workers	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1413180	Toxicity in Klebsiella pneumoniae ATCC 13883 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID604742	Displacement of radiolabeled dansylsarcosine from fatty acid-free human serum albumin site 2 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy	2010	Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21	A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions.
AID1774086	Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID625292	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score	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).
AID1136212	Antiinflammatory activity in po dosed rat assessed as inhibition of carrageenan-induced paw edema	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Synthesis and analgesic-antiinflammatory activity of some 4- and 5-substituted heteroarylsalicylic acids.
AID496818	Antimicrobial activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1386005	Binding affinity to transthyretin (unknown origin) assessed as free energy changes by ITC method	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID588219	FDA HLAED, gamma-glutamyl transferase (GGT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID496826	Antimicrobial activity against Entamoeba histolytica	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID349145	Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot	2008	Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20	In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.
AID1413175	Induction of IL-8 production in human PBMC-differentiated macrophages after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1386006	Binding affinity to transthyretin (unknown origin) assessed as free enthalpy changes by ITC method	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1413189	Potentiation of methicillin-induced antibacterial activity against Streptococcus pyogenes ATCC 14289 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413187	Potentiation of tetracycline-induced antibacterial activity against Staphylococcus aureus ATCC 33592 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413199	Potentiation of methicillin-induced antibacterial activity against Enterococcus faecium ATCC 700221 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID681781	TP_TRANSPORTER: inhibition of PAH uptake (PAH: 2 uM, Diflunisal: 1000 uM) in Xenopus laevis oocytes	1999	Molecular pharmacology, May, Volume: 55, Issue:5	Transport properties of nonsteroidal anti-inflammatory drugs by organic anion transporter 1 expressed in Xenopus laevis oocytes.
AID1136199	Plasma concentration in human at 500 mg/kg, po after 2 hrs	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1413172	Antiinflammatory activity in human PBMC-differentiated macrophages assessed as inhibition of LPS-induced IL-1beta production at 0.01 to 10 uM measured after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID27167	Delta logD (logD6.5 - logD7.4)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID1413165	Cytotoxicity against human PBMC-differentiated macrophages treated for 24 hrs followed by compound washout and measured after 48 hrs by MTT assay	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID604741	Displacement of radiolabeled warfarin from fatty acid-free human serum albumin site 1 in phosphate buffer at pH 7.4 at 12 uM by fluorescence spectroscopy	2010	Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21	A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions.
AID574423	Displacement of 4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate from recombinant TTR assessed as fluorescence at 37 degC after 3 hrs	2011	Bioorganic & medicinal chemistry, Feb-15, Volume: 19, Issue:4	A competition assay to identify amyloidogenesis inhibitors by monitoring the fluorescence emitted by the covalent attachment of a stilbene derivative to transthyretin.
AID496825	Antimicrobial activity against Leishmania mexicana	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1774079	Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 10 uM incubated for 1 week by absorbance method	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1614578	Inhibition of TTR V30M mutant (unknown origin)-mediated amyloid fibril formation expressed in Escherichia coli assessed as amyloid fibril percentage at 5 uM after 4 days by thioflavin-T-fluorescence based assay (Rvb = 100%)	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID1413208	Potentiation of erythromycin-induced antibacterial activity against Pseudomonas aeruginosa ATCC BAA-2108 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1386015	Dissociation constant, pKa of the compound	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID496821	Antimicrobial activity against Leishmania	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1169291	Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay	2014	Journal of medicinal chemistry, Nov-13, Volume: 57, Issue:21	Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin.
AID496832	Antimicrobial activity against Trypanosoma brucei rhodesiense	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1413212	Potentiation of tetracycline-induced antibacterial activity against Escherichia coli ATCC 43894 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1486519	Binding affinity to transthyretin in human blood plasma assessed as plasma binding selectivity by measuring stoichiometry of small molecule bound to TTR incubated for 24 hrs at 37 degC by RP-HPLC	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
AID1276650	Induction of apoptosis in human HuH7 cells assessed as nuclear condensation at IC50 after 72 hrs by hoechst 33258 staining based fluorescence microscopy	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID625280	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis	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).
AID1755162	Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by protein dilution in acetate buffer and further incubated for 96 hrs at pH 4.6 by thioflavin-T fluorescence	2021	Bioorganic & medicinal chemistry, 08-15, Volume: 44	Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
AID624613	Specific activity of expressed human recombinant UGT1A10	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID625281	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis	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).
AID1413201	Potentiation of ciprofloxacin-induced antibacterial activity against Enterococcus faecium ATCC 700221 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1136204	Antipyretic activity in po dosed rat	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1276644	Cytotoxicity against human HuH7 cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID1474167	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1744124	Competitive inhibition of human ACMSD using ACMS substrate by spectrometry	2021	Journal of medicinal chemistry, 01-14, Volume: 64, Issue:1	Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
AID588208	Literature-mined public compounds from Lowe et al phospholipidosis modelling dataset	2010	Molecular pharmaceutics, Oct-04, Volume: 7, Issue:5	Predicting phospholipidosis using machine learning.
AID1136196	Antiinflammatory activity against carrageenan-induced foot edema in rat administered via gastric gavage	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1413202	Potentiation of tetracycline-induced antibacterial activity against Enterococcus faecium ATCC 700221 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID396474	Antiinflammatory activity in rat assessed as inhibition of carrageenan-induced paw edema	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents.
AID624611	Specific activity of expressed human recombinant UGT1A8	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID496819	Antimicrobial activity against Plasmodium falciparum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1413200	Potentiation of geneticin-induced antibacterial activity against Enterococcus faecium ATCC 700221 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413211	Potentiation of ciprofloxacin-induced antibacterial activity against Escherichia coli ATCC 43894 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 ciprofloxacin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413210	Potentiation of geneticin-induced antibacterial activity against Escherichia coli ATCC 43894 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 geneticin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID396470	Antiinflammatory activity in mouse assessed as inhibition of xylene-induced ear edema at 40 mg/kg, po	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents.
AID515780	Intrinsic solubility of the compound in water	2010	Bioorganic & medicinal chemistry, Oct-01, Volume: 18, Issue:19	QSAR-based solubility model for drug-like compounds.
AID574424	Displacement of S-phenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzothioate from human TTR assessed as fluorescence at 37 degC after 3 hrs	2011	Bioorganic & medicinal chemistry, Feb-15, Volume: 19, Issue:4	A competition assay to identify amyloidogenesis inhibitors by monitoring the fluorescence emitted by the covalent attachment of a stilbene derivative to transthyretin.
AID1413171	Antiinflammatory activity in human PBMC-differentiated macrophages assessed as inhibition of LPS-induced IL-8 production at 0.01 to 10 uM measured after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID311524	Oral bioavailability in human	2007	Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue:24	Hologram QSAR model for the prediction of human oral bioavailability.
AID1386017	Binding affinity to transthyretin (unknown origin) in human serum assessed as protein occupancy at 20 uM by fluorescent probe exclusion assay	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1136203	Analgesic activity in po dosed rat assessed as inhibition of yeast-induced inflammatory pain	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID1774075	Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli assessed as ANS saturation ratio at 400 uM incubated for 1 hr in presence of 7.5 uM ANS by fluorescence method (Rvb = 56 +/- 2.3%)	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1276648	Cytotoxicity against human FOCUS cells assessed as inhibition of cell proliferation after 72 hrs by sulforhodamine B assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Synthesis of novel diflunisal hydrazide-hydrazones as anti-hepatitis C virus agents and hepatocellular carcinoma inhibitors.
AID1413204	Potentiation of methicillin-induced antibacterial activity against Pseudomonas aeruginosa ATCC BAA-2108 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1901400	Destabilization of Red-dye-NHS fluorescent-labeled human LDH-1 expressed in Escherichia coli assessed as dissociation constant by MST assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID1614595	Stabilization of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as formation of TTR tetramer band formation at 1 uM after 4 mins by SDS-PAGE analysis based glutaraldehyde cross-linking assay	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID1413178	Toxicity in Staphylococcus aureus ATCC 33592 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID210954	Ability to bind TTR selectively over all other proteins in human blood plasma (equiv bound)	2004	Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2	Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
AID210957	The second dissociation constant for binding to WT TTR determined by isothermal titration calorimetry (25 C, pH 8.0)	2004	Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2	Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
AID1774076	Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli at 400 uM incubated for 1 hr in presence of 75 uM ANS by fluorescence method (Rvb = 91 +/- 0.92%)	2021	Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19	Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1529186	Binding affinity to human serum albumin assessed as change in dissociation constant pKa1 of compound in aqueous medium to presence of human serum albumin by UV-pH titration based spectrophotometric analysis	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design.
AID1386008	Binding affinity to transthyretin (unknown origin) in pH 7.4 PBS buffer assessed as protein occupancy at 1:1 compound to TTR ratio by fluorescent probe exclusion assay	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID19006	Calculated membrane partition coefficient (Kmemb)	2004	Journal of medicinal chemistry, Mar-25, Volume: 47, Issue:7	Surface activity profiling of drugs applied to the prediction of blood-brain barrier permeability.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1901402	Stabilization of human LDH-Htr expressed in Escherichia coli assessed as change in melting temperature at 1 mM heated for 3 mins by NanoDSF assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID349141	Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry	2008	Bioorganic & medicinal chemistry, Oct-15, Volume: 16, Issue:20	In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.
AID1413193	Potentiation of erythromycin-induced antibacterial activity against Streptococcus pyogenes ATCC 14289 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413183	Toxicity in Escherichia coli ATCC 43894 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1773958	Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectra	2021	Journal of medicinal chemistry, 09-23, Volume: 64, Issue:18	Systematic Development of Peptide Inhibitors Targeting the CXCL12/HMGB1 Interaction.
AID1614576	Inhibition of TTR V30M mutant (unknown origin)-mediated amyloid fibril formation expressed in Escherichia coli assessed as amyloid fibril percentage at 0.5 uM after 4 days by thioflavin-T-fluorescence based assay (Rvb = 100%)	2019	Journal of medicinal chemistry, 02-28, Volume: 62, Issue:4	Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
AID1413197	Potentiation of tetracycline-induced antibacterial activity against Klebsiella pneumoniae ATCC 13883 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 tetracycline	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID496824	Antimicrobial activity against Toxoplasma gondii	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1136209	Toxicity in po dosed rat assessed as intestinal perforating ulcer	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Novel analgesic-antiinflammatory salicylates.
AID677462	Dissociation constant, pKa of the compound	2012	European journal of medicinal chemistry, Jul, Volume: 53	Self-organizing molecular field analysis of NSAIDs: assessment of pharmacokinetic and physicochemical properties using 3D-QSPkR approach.
AID497005	Antimicrobial activity against Pneumocystis carinii	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1239060	Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma.
AID1486518	Inhibition of acid-induced wild type transthyretin (unknown origin) aggregation expressed in Escherichia coli pre-incubated for 30 mins before acid addition and further incubated for 72 hrs at 37 degC under dark conditions by UV-Vis spectrophotometry	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
AID1744122	Inhibition of human ACMSD assessed as picolinic acid level at 1 mM by HPLC analysis (Rvb = 83.6 +/- 3.1%)	2021	Journal of medicinal chemistry, 01-14, Volume: 64, Issue:1	Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
AID243230	Binding affinity towards human serum albumin	2005	Journal of medicinal chemistry, Apr-07, Volume: 48, Issue:7	Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach.
AID540235	Phospholipidosis-negative literature compound
AID625291	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal	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).
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID625290	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty	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).
AID1386000	Binding affinity to transthyretin (unknown origin) by ITC method	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1901403	Destabilization of human LDH-5 expressed in Escherichia coli assessed as change in melting temperature at 1 mM heated for 3 mins by NanoDSF assay	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Discovery of small molecules interacting at lactate dehydrogenases tetrameric interface using a biophysical screening cascade.
AID1413179	Toxicity in Streptococcus pyogenes ATCC 14289 up to 32 uM measured after 16 hrs	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1413198	Potentiation of erythromycin-induced antibacterial activity against Klebsiella pneumoniae ATCC 13883 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 erythromycin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1660990	Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis	2020	Journal of medicinal chemistry, 08-13, Volume: 63, Issue:15	The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
AID1413184	Potentiation of methicillin-induced antibacterial activity against Staphylococcus aureus ATCC 33592 assessed as minimum modulatory concentration up to 32 uM measured after 16 hrs in presence of MIC/4 methicillin	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID43581	Inhibition of beta-lactamase at 100 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
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.
AID496830	Antimicrobial activity against Leishmania major	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496823	Antimicrobial activity against Trichomonas vaginalis	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496828	Antimicrobial activity against Leishmania donovani	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID327170	Binding affinity to human serum albumin by PAMPA method	2008	Journal of medicinal chemistry, Apr-10, Volume: 51, Issue:7	New approach to measure protein binding based on a parallel artificial membrane assay and human serum albumin.
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.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1386019	Binding affinity to transthyretin (unknown origin) in human serum assessed as protein stabilization at 10 uM in pH 7.4 urea buffer by Western blot	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1413169	Antiinflammatory activity in human PBMC-differentiated macrophages assessed as lowest concentration required to show at least 25% inhibition of LPS-induced prostaglandin production measured after 24 hrs by ELISA	2018	MedChemComm, Jun-01, Volume: 9, Issue:6	Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1386010	Binding affinity to transthyretin in human serum assessed as protein stabilization at 2:1 compound to TTR ratio after 72 hrs by Western blot	2018	Journal of medicinal chemistry, 09-13, Volume: 61, Issue:17	Enthalpy-Driven Stabilization of Transthyretin by AG10 Mimics a Naturally Occurring Genetic Variant That Protects from Transthyretin Amyloidosis.
AID1598719	Binding affinity to Triton-X 100 assessed as line broadening at 150 uM by 1H-NMR spectra analysis	2019	Journal of medicinal chemistry, 05-23, Volume: 62, Issue:10	Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators.
AID540211	Fraction unbound in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID295863	Antinociceptive activity against mouse assessed as paw withdrawal latency at 50 mg/kg, po after 60 mins by hot plate test	2007	European journal of medicinal chemistry, Jul, Volume: 42, Issue:7	Synthesis of some novel heterocyclic compounds derived from diflunisal hydrazide as potential anti-infective and anti-inflammatory agents.
AID243647	In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1) at 200 uM; Inactive	2004	Journal of medicinal chemistry, Sep-23, Volume: 47, Issue:20	Novel cyclooxygenase-1 inhibitors discovered using affinity fingerprints.
AID295862	Antiinflammatory activity against BALB/c mouse assessed as inhibition of carrageenan-induced paw edema at 50 mg/kg, po after 4 hrs	2007	European journal of medicinal chemistry, Jul, Volume: 42, Issue:7	Synthesis of some novel heterocyclic compounds derived from diflunisal hydrazide as potential anti-infective and anti-inflammatory agents.
AID1529185	Protein binding in human serum albumin after 4.5 hrs by LC-MS based rapid equilibrium dialysis method	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design.
AID1744125	Inhibition of human ACMSD using ACMS substrate by spectrometry	2021	Journal of medicinal chemistry, 01-14, Volume: 64, Issue:1	Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
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.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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.
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.
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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
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.
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.
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.
AID1347153	Confirmatory 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.
AID1347161	Confirmatory screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347169	Tertiary RLuc qRT-PCR qHTS assay for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347149	Furin counterscreen qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347152	Confirmatory screen NINDS 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.
AID1347167	Vero cells viability 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.
AID1347168	HepG2 cells viability 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.
AID1224864	HCS microscopy assay (F508del-CFTR)	2016	PloS one, , Volume: 11, Issue:10	Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	221 (40.70)	18.7374
1990's	81 (14.92)	18.2507
2000's	77 (14.18)	29.6817
2010's	115 (21.18)	24.3611
2020's	49 (9.02)	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	129 (21.32%)	5.53%
Reviews	41 (6.78%)	6.00%
Case Studies	29 (4.79%)	4.05%
Observational	0 (0.00%)	0.25%
Other	406 (67.11%)	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
The Effect of Diflunisal on Familial Amyloidosis[NCT00294671]	Phase 2/Phase 3	130 participants (Actual)	Interventional	2006-02-28	Completed
AN OPEN-LABEL, SINGLE-SEQUENCE, CROSSOVER STUDY TO INVESTIGATE THE EFFECTS OF UGT1A9 INHIBITOR DIFLUNISAL, AT STEADY-STATE, ON PHARMACOKINETICS OF A SINGLE DOSE OF BMS-986165 IN HEALTHY MALE AND FEMALE VOLUNTEERS[NCT04113668]	Phase 1	48 participants (Actual)	Interventional	2019-10-01	Completed
A Randomized, Multi-Center Study to Compare the Effects of CRx-401 to Bezafibrate Plus Placebo on Plasma Glucose Levels When Given to Subjects With Type II Diabetes on Metformin.[NCT00506298]	Phase 2	150 participants (Anticipated)	Interventional	2007-07-31	Completed
Pilot Study of Diflunisal in HIV-infected Adults[NCT01676363]	Phase 4	8 participants (Actual)	Interventional	2013-03-31	Terminated(stopped due to Insufficient enrollment.)
"The Effect of Diflunisal on Familial Transthyretin Amyloidosis: An Open Label Extension Study of the Diflunisal Trial (IND 68092), and an Open Label Observational Study on Previously Untreated Patients With Familial Transthyretin Amyloidosis."[NCT01432587]		55 participants (Actual)	Observational	2011-08-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	units on a scale (Mean)
	Change from baseline to 2 years	Change from baseline to 1 year
Diflunisal	3.1	1.9
Placebo	8.0	4.1

Intervention	kg/M2xg/L (Mean)
	Change from baseline to 2 years	Change from baseline to 1 year
Diflunisal	-33.7	-18.7
Placebo	-67.9	-38.5

Intervention	units on a scale (Mean)
	Change from baseline to 2 years	Change from baseline to 1 year
Diflunisal	8.2	6.2
Placebo	26.3	12.5

Intervention	units on a scale (Mean)
	Change from baseline to 2 years	Change from baseline to 1 year
Diflunisal	3.5	2.5
Placebo	-0.9	0.8

Intervention	units on a scale (Mean)
	Change from baseline to 2 years	Change from baseline to 1 year
Diflunisal	1.2	0.7
Placebo	-4.9	-1.9

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
salicylic acid	[no description available]	high	24	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
aspirin	[no description available]	high	84	18	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aspirin	[no description available]	high	84	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
ibuprofen	[no description available]	high	55	9	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
ibuprofen	[no description available]	high	55	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
indomethacin	[no description available]	high	60	5	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
indomethacin	[no description available]	high	60	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
3-phenylsalicylic acid	[no description available]	medium	1	0
triflusal	[no description available]	medium	1	0	benzoic acids; carboxylic ester; salicylates
5-fluorosalicylic acid	[no description available]	medium	1	0
4-trifluoromethylsalicylic acid	[no description available]	medium	1	0	hydroxybenzoic acid
sulindac	[no description available]	high	24	3	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
sulindac	[no description available]	high	24	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
acetaminophen	[no description available]	high	56	16	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetaminophen	[no description available]	high	56	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
antipyrine	[no description available]	medium	2	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
diclofenac	[no description available]	high	39	1	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
diclofenac	[no description available]	high	39	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
flurbiprofen	[no description available]	high	24	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flurbiprofen	[no description available]	high	24	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ketoprofen	[no description available]	high	33	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
meclofenamic acid	[no description available]	high	13	1	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
meclofenamic acid	[no description available]	high	13	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
oxyphenbutazone	[no description available]	high	11	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
phenacetin	[no description available]	medium	11	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenylbutazone	[no description available]	high	24	3	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
phenylbutazone	[no description available]	high	24	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
tolmetin	[no description available]	high	23	2	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tolmetin	[no description available]	high	23	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
aminopyrine	[no description available]	high	3	1	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
aminopyrine	[no description available]	high	3	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
benzylamine	[no description available]	medium	1	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
salicylurate	[no description available]	medium	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
naproxen	[no description available]	high	58	20	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
naproxen	[no description available]	high	58	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
piroxicam	[no description available]	high	34	4	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
piroxicam	[no description available]	high	34	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
4-hydroxybenzoic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
benzoic acid	[no description available]	medium	3	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
butyric acid	[no description available]	medium	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
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
octanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
4-aminophenol	[no description available]	medium	2	0	aminophenol	allergen; metabolite
hydroquinone	[no description available]	medium	2	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
methanol	[no description available]	medium	3	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n,n-dimethylaniline	[no description available]	medium	1	0	dimethylaniline; tertiary amine
4-nitrophenol	[no description available]	medium	2	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
phenol	[no description available]	medium	3	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
tryptophan	[no description available]	medium	2	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
catechin	[no description available]	medium	2	0	hydroxyflavan
menthol	[no description available]	medium	2	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
2-aminofluorene	[no description available]	medium	1	0
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
amitriptyline	[no description available]	medium	16	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amitriptyline	[no description available]	medium	16	2	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
beta-naphthoflavone	[no description available]	medium	2	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
bumetanide	[no description available]	medium	13	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
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
chlorpheniramine	[no description available]	medium	7	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	15	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofibrate	[no description available]	medium	6	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	12	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid	[no description available]	medium	4	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	2	0	sulfonamide
4-cresol	[no description available]	medium	1	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyproheptadine	[no description available]	medium	4	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	3	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	12	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
decanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
desipramine	[no description available]	medium	13	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
diphenhydramine	[no description available]	medium	11	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
valproic acid	[no description available]	medium	16	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
doxepin	[no description available]	medium	8	0	dibenzooxepine; tertiary amino compound	antidepressant
doxylamine	[no description available]	medium	2	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
emodin	[no description available]	medium	2	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethacrynic acid	[no description available]	medium	7	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenoprofen	[no description available]	high	13	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen	[no description available]	high	13	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek	[no description available]	medium	6	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluphenazine	[no description available]	medium	7	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
fluorescite	[no description available]	medium	3	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
furosemide	[no description available]	medium	23	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
imipramine	[no description available]	medium	15	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketotifen	[no description available]	medium	5	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	medium	14	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	8	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lauric acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
lorazepam	[no description available]	medium	8	0	benzodiazepine
losartan	[no description available]	medium	8	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine	[no description available]	medium	4	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
meperidine	[no description available]	medium	8	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesalamine	[no description available]	high	7	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mexiletine	[no description available]	medium	10	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mitoxantrone	[no description available]	medium	6	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nortriptyline	[no description available]	medium	12	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxazepam	[no description available]	medium	12	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
aminosalicylic acid	[no description available]	medium	9	0	aminobenzoic acid; phenols	antitubercular agent
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
phenobarbital	[no description available]	medium	11	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	4	0	phenols
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
probenecid	[no description available]	medium	19	0	benzoic acids; sulfonamide	uricosuric drug
promethazine	[no description available]	medium	8	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	11	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol	[no description available]	medium	19	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate	[no description available]	medium	1	0	trihydroxybenzoic acid
pyrilamine	[no description available]	medium	2	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
1,2,5,8-tetrahydroxy anthraquinone	[no description available]	medium	2	0	tetrahydroxyanthraquinone	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
salicylamide	[no description available]	medium	4	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sulfadimethoxine	[no description available]	medium	3	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfathiazole	[no description available]	medium	4	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfinpyrazone	[no description available]	medium	9	0	pyrazolidines; sulfoxide	uricosuric drug
suprofen	[no description available]	high	9	2	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
suprofen	[no description available]	high	9	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
temazepam	[no description available]	medium	6	0	benzodiazepine
terfenadine	[no description available]	medium	8	0	diarylmethane
thonzylamine	[no description available]	medium	1	0	methoxybenzenes
tiaprofenic acid	[no description available]	medium	3	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	6	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	medium	2	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
tripelennamine	[no description available]	medium	3	0	aromatic amine
zomepirac	[no description available]	medium	13	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
zomepirac	[no description available]	medium	13	1	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
corticosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
estriol	[no description available]	medium	2	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
2-aminophenol	[no description available]	medium	1	0	aminophenol	bacterial metabolite
thyroxine	[no description available]	medium	12	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
aldosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
tetrahydrocortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone
prednisone	[no description available]	medium	11	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
tetrahydrocortisone	[no description available]	medium	1	0	21-hydroxy steroid
estrone	[no description available]	medium	6	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	2	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
etiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	medium	3	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
hydroxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes
triiodothyronine	[no description available]	medium	7	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
benz(a)anthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes
chloramphenicol	[no description available]	medium	10	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
ethinyl estradiol	[no description available]	medium	11	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
aniline	[no description available]	medium	2	0	anilines; primary arylamine
desoxycorticosterone	[no description available]	medium	2	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
norethindrone	[no description available]	medium	6	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	3	0	oxo steroid
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
ampicillin	[no description available]	medium	7	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
alizarin	[no description available]	medium	2	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
linalool	[no description available]	medium	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
1,4-dihydroxyanthraquinone	[no description available]	medium	2	0	dihydroxyanthraquinone	dye
cyclizine	[no description available]	medium	5	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
2,6-dihydroxyanthraquinone	[no description available]	medium	1	0	dihydroxyanthraquinone	antimutagen; plant metabolite
9,10-anthraquinone	[no description available]	medium	1	0	anthraquinone
thymol	[no description available]	medium	2	0	monoterpenoid; phenols	volatile oil component
1-naphthol	[no description available]	medium	2	0	naphthol	genotoxin; human xenobiotic metabolite
2-aminodiphenyl	[no description available]	medium	1	0
2-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
2-naphthylamine	[no description available]	medium	1	0	naphthylamine	carcinogenic agent
4-biphenylamine	[no description available]	medium	1	0	aminobiphenyl	carcinogenic agent
4-phenylphenol	[no description available]	medium	3	0	hydroxybiphenyls
benzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	carcinogenic agent
4,4'-dihydroxybiphenyl	[no description available]	medium	1	0	hydroxybiphenyls
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
butylphen	[no description available]	medium	1	0	phenols	allergen
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
4-isopropylphenol	[no description available]	medium	1	0	phenols	flavouring agent
4-hydroxyacetophenone	[no description available]	medium	1	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
4-benzylphenol	[no description available]	medium	1	0
2-ethylhexanol	[no description available]	medium	1	0	primary alcohol	plant metabolite; volatile oil component
2,2,2-trichloroethanol	[no description available]	medium	1	0	chloroethanol	mouse metabolite
anthrarufin	[no description available]	medium	2	0	dihydroxyanthraquinone
2-toluic acid	[no description available]	medium	1	0	methylbenzoic acid	xenobiotic metabolite
ethyl-p-hydroxybenzoate	[no description available]	medium	1	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
3-tert-butyl-4-hydroxyanisole	[no description available]	medium	1	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
2-naphthol	[no description available]	medium	1	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
citronellol	[no description available]	medium	1	0	monoterpenoid	plant metabolite
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
pregnenolone	[no description available]	medium	2	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
ditiocarb	[no description available]	medium	1	0	dithiocarbamic acids	chelator; copper chelator
mequinol	[no description available]	medium	2	0	methoxybenzenes; phenols	metabolite
catechin	[no description available]	medium	1	0	catechin	antioxidant; plant metabolite
phenetidine	[no description available]	medium	2	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
4-hydroxyphenobarbital	[no description available]	medium	1	0	barbiturates
lithocholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
chenodeoxycholic acid	[no description available]	medium	6	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
epitestosterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
chrysophanic acid	[no description available]	medium	2	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
carvacrol	[no description available]	medium	1	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
1,2,3,4-tetrahydro-1-naphthalenol	[no description available]	medium	1	0
4-iodophenol	[no description available]	medium	2	0	iodophenol
myristic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	medium	1	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
6-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline
3-hydroxybiphenyl	[no description available]	medium	3	0	hydroxybiphenyls
diphenylamine	[no description available]	medium	1	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
alpha-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
4-propylphenol	[no description available]	medium	1	0	alkylbenzene
hexafluoroisopropanol	[no description available]	medium	1	0	organofluorine compound; secondary alcohol	drug metabolite
d-alpha tocopherol	[no description available]	medium	3	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
fenchol	[no description available]	medium	1	0
4-n-Butylphenol	[no description available]	medium	1	0	phenols
4-hydroxyazobenzene	[no description available]	medium	1	0
4-nitrothiophenolate	[no description available]	medium	1	0
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	2	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
menthol	[no description available]	medium	1	0	p-menthan-3-ol	antipruritic drug; antispasmodic drug; antitussive
hydroxyphenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; phenols	metabolite
mono-(2-ethylhexyl)phthalate	[no description available]	medium	1	0	phthalic acid monoester
1-naphthalenemethanol	[no description available]	medium	1	0	naphthylmethanol	mouse metabolite
dexpropranolol	[no description available]	medium	1	0	propranolol
butylated hydroxyanisole	[no description available]	medium	1	0
3-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
4-n-Pentylphenol	[no description available]	medium	1	0	phenols
9-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
daunorubicin	[no description available]	medium	7	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
n-phenylethanolamine	[no description available]	medium	1	0	aralkylamine
4-ethylphenol	[no description available]	medium	1	0	phenols	fungal xenobiotic metabolite
ursodeoxycholic acid	[no description available]	medium	7	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone	[no description available]	medium	2	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
butylated hydroxytoluene	[no description available]	medium	3	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
zidovudine	[no description available]	medium	15	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
6-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
dexibuprofen	[no description available]	medium	2	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
benoxaprofen	[no description available]	medium	9	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
2-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
octyl gallate	[no description available]	medium	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	2	0	stilbenoid
2',7'-dichlorofluorescein	[no description available]	medium	1	0	2-benzofurans	fluorochrome
16-hydroxytestosterone	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol	androgen
2-methoxyestradiol	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
5,6,7,8-tetrahydro-1-naphthol	[no description available]	medium	1	0	tetralins
alfatradiol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol	estrogen; geroprotector
4-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline; quinolone
17-alpha-hydroxypregnenolone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
5-(3-hydroxyphenyl)-5-phenylhydantoin	[no description available]	medium	1	0
7-amino-4-methylcoumarin	[no description available]	medium	1	0	7-aminocoumarins	fluorochrome
11-hydroxyprogesterone, (11alpha)-isomer	[no description available]	medium	2	0	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
3,5-diiodothyronine, (l)-isomer	[no description available]	medium	1	0	phenylalanine derivative
harmol hydrochloride	[no description available]	medium	1	0
diosgenin	[no description available]	medium	1	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer	[no description available]	medium	1	0	sapogenin	gout suppressant; plant metabolite
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite
2-methoxyestriol	[no description available]	medium	1	0
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	medium	1	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
ecopipam	[no description available]	medium	1	0	benzazepine
ibuprofen, (r)-isomer	[no description available]	medium	3	0	ibuprofen
11-hydroxytestosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite
norbuprenorphine	[no description available]	medium	2	0	phenanthrenes
benzo(a)pyrene-3,6-quinol	[no description available]	medium	1	0
cortolone	[no description available]	medium	1	0	21-hydroxy steroid
carbocysteine	[no description available]	medium	2	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cortol	[no description available]	medium	1	0	21-hydroxy steroid
21-hydroxypregnenolone	[no description available]	medium	1	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
2-hydroxyestradiol	[no description available]	medium	2	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
epietiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
2-hydroxyestrone	[no description available]	medium	1	0	2-hydroxy steroid; catechols	human metabolite
epiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
1-alpha-terpineol	[no description available]	medium	1	0	alpha-terpineol	plant metabolite
diprenorphine	[no description available]	medium	1	0	morphinane alkaloid
ergosterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin	[no description available]	medium	9	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
retinol	[no description available]	medium	4	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	medium	8	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
diethylstilbestrol	[no description available]	medium	3	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
dienestrol	[no description available]	medium	2	0
captax	[no description available]	medium	1	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
thiothixene	[no description available]	medium	6	0	N-methylpiperazine	anticoronaviral agent
chlorogenic acid	[no description available]	medium	2	0	cinnamate ester; tannin	food component; plant metabolite
sch 23390	[no description available]	medium	1	0	benzazepine
digitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid
quercetin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin	[no description available]	medium	3	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
apigenin	[no description available]	medium	2	0	trihydroxyflavone	antineoplastic agent; metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	3	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
vitamin d 2	[no description available]	medium	4	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol	[no description available]	medium	2	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
esculetin	[no description available]	medium	1	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
7-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin	[no description available]	medium	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
fisetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
4-hydroxyestradiol	[no description available]	medium	2	0	4-hydroxy steroid	metabolite
isotretinoin	[no description available]	medium	7	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
hyodeoxycholic acid	[no description available]	medium	1	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
codeine	[no description available]	medium	27	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
codeine	[no description available]	medium	27	11	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
hydromorphone	[no description available]	medium	5	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene	[no description available]	medium	6	0	morphinane alkaloid
nalorphine	[no description available]	medium	3	0	morphinane alkaloid
naloxone	[no description available]	medium	12	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	4	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxymorphone	[no description available]	medium	3	0	morphinane alkaloid
6alpha-hydroxy-17beta-estradiol	[no description available]	medium	2	0	6alpha-hydroxy steroid
morphine	[no description available]	medium	12	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
nalbuphine	[no description available]	medium	7	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
cinnamyl alcohol	[no description available]	medium	1	0	cinnamyl alcohol	plant metabolite
levorphanol	[no description available]	medium	2	0	morphinane alkaloid
naltrexone	[no description available]	medium	10	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
normorphine	[no description available]	medium	2	0	morphinane alkaloid
naltrindole benzofuran	[no description available]	medium	1	0	morphinane alkaloid
naltrindole	[no description available]	medium	1	0	isoquinolines
19-hydroxycholesterol	[no description available]	medium	1	0	cholestanoid
borneol	[no description available]	medium	1	0	borneol
norcodeine	[no description available]	medium	2	0	morphinane alkaloid
4-hydroxyestrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
11 beta-hydroxyandrosterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
2-hydroxyestriol	[no description available]	medium	1	0
novobiocin	[no description available]	medium	5	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	12	0
4-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin
rifampin	[no description available]	medium	12	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine	[no description available]	medium	15	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
norclozapine	[no description available]	medium	2	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
coumarin	[no description available]	medium	2	0	coumarins	fluorescent dye; human metabolite; plant metabolite
phenytoin	[no description available]	medium	12	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
tacrine	[no description available]	medium	9	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	medium	11	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
albuterol	[no description available]	medium	8	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprazolam	[no description available]	medium	6	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	5	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine	[no description available]	medium	9	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
theophylline	[no description available]	medium	14	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone	[no description available]	medium	13	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	8	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	2	0	barbiturates
atenolol	[no description available]	medium	11	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
bepridil	[no description available]	medium	3	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betaxolol	[no description available]	medium	6	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	2	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bisoprolol	[no description available]	medium	8	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
brotizolam	[no description available]	medium	3	0	organic molecular entity
caffeine	[no description available]	medium	13	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	11	0	aromatic ether; nitrile; polyether; tertiary amino compound
carteolol	[no description available]	medium	4	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
carvedilol	[no description available]	medium	8	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	9	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	5	0	benzodiazepine
chloroquine	[no description available]	medium	9	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	4	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	12	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	7	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	2	0	diarylmethane
cimetidine	[no description available]	medium	13	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cisapride	[no description available]	medium	5	0	benzamides
citalopram	[no description available]	medium	10	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clobazam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clomipramine	[no description available]	medium	12	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine	[no description available]	medium	7	0	clonidine; imidazoline
nordazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	medium	18	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	medium	8	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
disopyramide	[no description available]	medium	8	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
domperidone	[no description available]	medium	8	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	5	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
ethosuximide	[no description available]	medium	6	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etilefrine	[no description available]	medium	2	0	phenols
etodolac	[no description available]	high	12	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
etodolac	[no description available]	high	12	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felodipine	[no description available]	medium	8	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenfluramine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
flecainide	[no description available]	medium	9	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	12	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	10	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flumazenil	[no description available]	medium	8	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	high	11	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	10	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
gemfibrozil	[no description available]	medium	14	0	aromatic ether	antilipemic drug
glipizide	[no description available]	medium	8	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	10	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
haloperidol	[no description available]	high	10	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexobarbital	[no description available]	medium	3	0	barbiturates
hydralazine	[no description available]	medium	5	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	11	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
lidocaine	[no description available]	medium	20	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
amrinone	[no description available]	medium	11	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
isoniazid	[no description available]	medium	10	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	6	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	5	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	5	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketorolac	[no description available]	medium	7	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
lansoprazole	[no description available]	medium	9	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine	[no description available]	medium	3	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
mabuterol	[no description available]	medium	1	0	(trifluoromethyl)benzenes
maprotiline	[no description available]	medium	13	0	anthracenes
mebendazole	[no description available]	medium	8	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
metaproterenol	[no description available]	medium	2	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
methadone	[no description available]	medium	7	0	benzenes; diarylmethane; ketone; tertiary amino compound
metoclopramide	[no description available]	medium	10	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	9	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	11	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mianserin	[no description available]	medium	7	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
midazolam	[no description available]	medium	8	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
midazolam	[no description available]	medium	8	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone	[no description available]	medium	4	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
mirtazapine	[no description available]	medium	6	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	4	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nabumetone	[no description available]	medium	6	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nevirapine	[no description available]	medium	7	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	7	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine	[no description available]	medium	15	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nilvadipine	[no description available]	medium	1	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimodipine	[no description available]	medium	11	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	7	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	6	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nizatidine	[no description available]	medium	6	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
omeprazole	[no description available]	medium	8	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	7	0	carbazoles
oxaprozin	[no description available]	high	11	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxprenolol	[no description available]	medium	5	0	aromatic ether
pentoxifylline	[no description available]	medium	6	0	oxopurine
perphenazine	[no description available]	medium	9	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pindolol	[no description available]	medium	10	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
prazosin	[no description available]	medium	8	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	7	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	10	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probucol	[no description available]	medium	7	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	12	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	5	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	3	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
propafenone	[no description available]	medium	6	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
protriptyline	[no description available]	medium	5	0	carbotricyclic compound	antidepressant
raloxifene	[no description available]	medium	5	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	11	0	aralkylamine
riluzole	[no description available]	medium	8	0	benzothiazoles
risperidone	[no description available]	medium	9	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
sulfadiazine	[no description available]	medium	7	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfamethoxazole	[no description available]	medium	7	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfisoxazole	[no description available]	medium	4	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulpiride	[no description available]	medium	2	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan	[no description available]	medium	8	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terazosin	[no description available]	medium	5	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	7	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thioridazine	[no description available]	medium	7	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
tizanidine	[no description available]	medium	5	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	16	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
ultram	[no description available]	medium	6	0	aromatic ether; tertiary alcohol; tertiary amino compound
trazodone	[no description available]	medium	8	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	8	0	pteridines	diuretic; sodium channel blocker
triazolam	[no description available]	medium	6	0	triazolobenzodiazepine	sedative
trimethoprim	[no description available]	medium	13	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	3	0	piperazines
venlafaxine	[no description available]	medium	6	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
prednisolone	[no description available]	medium	6	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
spironolactone	[no description available]	medium	8	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
phenylephrine	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
oxacillin	[no description available]	medium	4	0	penicillin	antibacterial agent; antibacterial drug
methylprednisolone	[no description available]	medium	11	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
nafcillin	[no description available]	medium	5	0	penicillin allergen; penicillin	antibacterial drug
betamethasone	[no description available]	medium	8	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
dextropropoxyphene	[no description available]	medium	12	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
dextropropoxyphene	[no description available]	medium	12	1	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
chlormethiazole	[no description available]	medium	3	0	thiazoles
ethambutol	[no description available]	medium	6	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	6	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	3	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	9	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
dicloxacillin	[no description available]	medium	5	0	dichlorobenzene; penicillin	antibacterial drug
zalcitabine	[no description available]	medium	7	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
selegiline	[no description available]	medium	8	0	selegiline; terminal acetylenic compound	geroprotector
clemastine	[no description available]	medium	3	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
du-21220	[no description available]	medium	3	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
timolol	[no description available]	medium	10	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	4	0	tryptamines
moricizine	[no description available]	medium	3	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
medifoxamine	[no description available]	medium	1	0	aromatic ether
dobutamine	[no description available]	medium	6	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
penbutolol	[no description available]	medium	3	0	ethanolamines
tocainide	[no description available]	medium	5	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	11	0
diltiazem	[no description available]	medium	10	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
meptazinol	[no description available]	medium	3	0	azepanes
meptazinol	[no description available]	medium	3	1	azepanes
prenalterol	[no description available]	medium	1	0	aromatic ether
lorcainide	[no description available]	medium	2	0	acetamides
paroxetine	[no description available]	medium	9	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	10	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
encainide	[no description available]	medium	4	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
lovastatin	[no description available]	medium	8	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	4	0	aromatic ketone
simvastatin	[no description available]	medium	7	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
mibefradil	[no description available]	medium	4	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	7	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
rilmenidine	[no description available]	medium	1	0	isourea
diprafenone	[no description available]	medium	2	0	aromatic compound
uk 68798	[no description available]	medium	3	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
bufuralol	[no description available]	medium	2	0	benzofurans
epanolol	[no description available]	medium	1	0	acetamides
methotrimeprazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
atovaquone	[no description available]	medium	7	0	hydroxy-1,2-naphthoquinone
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
methotrexate	[no description available]	medium	11	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
xamoterol	[no description available]	medium	2	0	morpholines
atropine	[no description available]	medium	9	0
rimiterol	[no description available]	medium	1	0	catechols
quinidine	[no description available]	medium	12	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
dironyl	[no description available]	medium	2	0	organic molecular entity
mercaptopurine	[no description available]	medium	8	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
terbinafine	[no description available]	medium	5	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
raclopride	[no description available]	medium	1	0	salicylamides
quinine	[no description available]	medium	9	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
zofenoprilate	[no description available]	medium	1	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
zuclopenthixol	[no description available]	medium	1	0	clopenthixol	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
fluvoxamine	[no description available]	medium	7	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	8	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
famotidine	[no description available]	medium	11	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
nitrofurantoin	[no description available]	medium	11	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	3	0	nitrofuran antibiotic
scopolamine hydrobromide	[no description available]	medium	3	0
mobiflex	[no description available]	medium	9	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	18	0	benzenes; hydroxycoumarin; methyl ketone
ajmaline	[no description available]	medium	2	0
olanzapine	[no description available]	medium	6	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
allopurinol	[no description available]	medium	15	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
betamipron	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
azelaic acid	[no description available]	medium	3	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
benzyl benzoate	[no description available]	medium	2	0	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
carisoprodol	[no description available]	medium	4	0	carbamate ester	muscle relaxant
cinoxacin	[no description available]	medium	5	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
clotrimazole	[no description available]	medium	6	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
econazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
flutamide	[no description available]	medium	11	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
guaifenesin	[no description available]	medium	2	0	methoxybenzenes
ketoconazole	[no description available]	medium	9	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
leflunomide	[no description available]	medium	6	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
mefenamic acid	[no description available]	high	24	1	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
mefenamic acid	[no description available]	high	24	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
miconazole	[no description available]	medium	6	0	dichlorobenzene; ether; imidazoles
phenazopyridine	[no description available]	medium	3	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
sulconazole	[no description available]	medium	2	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
thalidomide	[no description available]	medium	4	0	phthalimides; piperidones
delavirdine	[no description available]	medium	3	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
tetraethylenepentamine	[no description available]	medium	2	0	polyazaalkane	copper chelator
propantheline bromide	[no description available]	medium	2	0	xanthenes
torsemide	[no description available]	medium	5	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
desferrioxamine b mesylate	[no description available]	medium	3	0	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
riboflavin	[no description available]	medium	3	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
guanabenz	[no description available]	medium	2	0	dichlorobenzene
4-fluorobiphenyl	[no description available]	medium	2	0
biphenyl-3-carboxylic acid	[no description available]	medium	3	0
4-hydroxymethylbiphenyl	[no description available]	medium	1	0
3,5-dichlorobiphenyl	[no description available]	medium	2	0	dichlorobenzene; dichlorobiphenyl
4-phenylbenzoic acid	[no description available]	medium	3	0
bupropion	[no description available]	medium	7	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
astemizole	[no description available]	medium	5	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
buspirone	[no description available]	medium	9	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
hydroxyzine	[no description available]	medium	7	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
loperamide	[no description available]	medium	4	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
orphenadrine	[no description available]	medium	3	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
promazine	[no description available]	medium	4	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
tetracaine	[no description available]	medium	5	0	benzoate ester; tertiary amino compound	local anaesthetic
apomorphine	[no description available]	medium	4	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cloxacillin	[no description available]	medium	5	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
colchicine	[no description available]	medium	9	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
emetine	[no description available]	medium	5	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
erythromycin	[no description available]	medium	13	0	cyclic ketone; erythromycin
digoxin	[no description available]	medium	11	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
lincomycin	[no description available]	medium	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
dextromethorphan	[no description available]	medium	3	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
enalapril	[no description available]	medium	7	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
azlocillin	[no description available]	medium	3	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
acemetacin	[no description available]	medium	1	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
indoprofen	[no description available]	high	4	1	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
indoprofen	[no description available]	high	4	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
6-methoxy-2-naphthylacetic acid	[no description available]	medium	3	0	methoxynaphthalene; monocarboxylic acid	drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; xenobiotic metabolite
pirprofen	[no description available]	medium	5	0	pyrroline
isoxicam	[no description available]	medium	6	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
flufenamic acid	[no description available]	high	18	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
niflumic acid	[no description available]	medium	8	0	aromatic carboxylic acid; pyridines
troglitazone	[no description available]	medium	6	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
clonixin	[no description available]	medium	1	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
etoposide	[no description available]	medium	11	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
epirubicin	[no description available]	medium	6	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
sn 38	[no description available]	medium	1	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
ezogabine	[no description available]	medium	1	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
ezetimibe	[no description available]	high	4	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
bms204352	[no description available]	medium	2	0
tacrolimus	[no description available]	medium	5	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
tamoxifen	[no description available]	medium	10	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
almokalant	[no description available]	medium	1	0
alpha-hydroxytamoxifen	[no description available]	medium	1	0	stilbenoid
tolcapone	[no description available]	medium	10	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
entacapone	[no description available]	medium	6	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
cyclosporine	[no description available]	medium	7	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
alvocidib	[no description available]	medium	3	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
morphine-6-glucuronide	[no description available]	medium	3	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	2	0	morphinane alkaloid
5-hydroxyrofecoxib	[no description available]	medium	1	0
nimesulide	[no description available]	medium	6	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
sotalol	[no description available]	medium	7	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
tolazamide	[no description available]	medium	7	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
5-chlorosalicylic acid	[no description available]	medium	3	0	chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid
reparixin	[no description available]	medium	1	0	monoterpenoid
aminocaproic acid	[no description available]	medium	8	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
acetohydroxamic acid	[no description available]	medium	4	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
alendronate	[no description available]	medium	4	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
altretamine	[no description available]	medium	4	0	triamino-1,3,5-triazine
amifostine anhydrous	[no description available]	medium	2	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
aminoglutethimide	[no description available]	medium	6	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
amlexanox	[no description available]	medium	2	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amoxapine	[no description available]	medium	6	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
anastrozole	[no description available]	medium	4	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
apraclonidine	[no description available]	medium	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
azathioprine	[no description available]	medium	8	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelastine	[no description available]	medium	3	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
baclofen	[no description available]	medium	3	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bicalutamide	[no description available]	medium	7	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
brimonidine	[no description available]	medium	2	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
busulfan	[no description available]	medium	8	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butenafine	[no description available]	medium	1	0	naphthalenes; tertiary amine	antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor
carmustine	[no description available]	medium	5	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cetirizine	[no description available]	medium	3	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlormezanone	[no description available]	medium	3	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
ciclopirox	[no description available]	medium	3	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciprofloxacin	[no description available]	medium	7	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
clofazimine	[no description available]	medium	2	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
chlorazepate	[no description available]	medium	4	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
cyclobenzaprine	[no description available]	medium	6	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyclobenzaprine	[no description available]	medium	6	2	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
dipivefrin	[no description available]	medium	1	0	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent
disulfiram	[no description available]	medium	6	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
droperidol	[no description available]	medium	5	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
enflurane	[no description available]	medium	2	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	3	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	3	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
etidronate	[no description available]	medium	2	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
brl 42810	[no description available]	medium	4	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	8	0	carbamate ester	anticonvulsant; neuroprotective agent
fentanyl	[no description available]	medium	5	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fexofenadine	[no description available]	medium	4	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fluphenazine depot	[no description available]	medium	1	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate	[no description available]	medium	1	0	phenothiazines
foscarnet	[no description available]	medium	5	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	6	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	6	0	sulfonamide
granisetron	[no description available]	medium	5	0	aromatic amide; indazoles
guanfacine	[no description available]	medium	3	0	acetamides
halothane	[no description available]	medium	3	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hydroxyurea	[no description available]	medium	10	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
phenelzine	[no description available]	medium	7	0	primary amine
ifosfamide	[no description available]	medium	6	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
indapamide	[no description available]	medium	6	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iodixanol	[no description available]	medium	1	0	organoiodine compound	radioopaque medium
iohexol	[no description available]	medium	3	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	2	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
ioversol	[no description available]	medium	2	0	amidobenzoic acid
isoflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
itraconazole	[no description available]	medium	6	0	piperazines
lomefloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loratadine	[no description available]	medium	4	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
mefloquine hydrochloride	[no description available]	medium	2	0	organofluorine compound; piperidines; quinolines; secondary alcohol
metformin	[no description available]	medium	9	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
midodrine	[no description available]	medium	2	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
minoxidil	[no description available]	medium	7	0	dialkylarylamine; tertiary amino compound
nefazodone	[no description available]	medium	7	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nilutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
masoprocol	[no description available]	medium	3	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	7	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
ofloxacin	[no description available]	medium	8	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
pamidronate	[no description available]	medium	6	0	phosphonoacetic acid
pemoline	[no description available]	medium	5	0	1,3-oxazoles	central nervous system stimulant
pentamidine	[no description available]	medium	5	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pirbuterol	[no description available]	medium	1	0	pyridines
prazepam	[no description available]	medium	1	0	benzodiazepine
praziquantel	[no description available]	medium	6	0	isoquinolines
procarbazine	[no description available]	medium	5	0	benzamides; hydrazines	antineoplastic agent
sch 16134	[no description available]	medium	2	0	benzodiazepine
rimantadine	[no description available]	medium	2	0	alkylamine
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sevoflurane	[no description available]	medium	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sulfasalazine	[no description available]	medium	11	0
tazarotene	[no description available]	medium	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
thiotepa	[no description available]	medium	4	0	aziridines
ticlopidine	[no description available]	medium	6	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tioconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; thiophenes
tiopronin	[no description available]	medium	3	0	N-acyl-amino acid
trientine	[no description available]	medium	1	0	polyazaalkane; tetramine	copper chelator
trimethadione	[no description available]	medium	7	0	oxazolidinone	anticonvulsant; geroprotector
trimetrexate	[no description available]	medium	4	0
trimipramine	[no description available]	medium	6	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
ici 204,219	[no description available]	medium	5	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	7	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
floxuridine	[no description available]	medium	6	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
penicillamine	[no description available]	medium	6	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
pilocarpine	[no description available]	medium	5	0	pilocarpine	antiglaucoma drug
vincristine	[no description available]	medium	5	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
testosterone propionate	[no description available]	medium	2	0	steroid ester
bretylium tosylate	[no description available]	medium	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
cytarabine	[no description available]	medium	5	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	3	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate	[no description available]	medium	5	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	5	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
estradiol dipropionate	[no description available]	medium	1	0	steroid ester
methohexital	[no description available]	medium	3	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
estradiol 17 beta-cypionate	[no description available]	medium	1	0	steroid ester
testosterone enanthate	[no description available]	medium	2	0	heptanoate ester; sterol ester	androgen
podophyllotoxin	[no description available]	medium	3	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
levocarnitine	[no description available]	medium	2	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
megestrol acetate	[no description available]	medium	5	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]	medium	7	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
levonorgestrel	[no description available]	medium	5	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
estradiol valerate	[no description available]	medium	4	0	steroid ester
betamethasone valerate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug
methylprednisolone hemisuccinate	[no description available]	medium	1	0	corticosteroid hormone; hemisuccinate
stavudine	[no description available]	medium	10	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
cyclacillin	[no description available]	medium	2	0	penicillin	antibacterial drug
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
cladribine	[no description available]	medium	7	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
beclomethasone	[no description available]	medium	4	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
estradiol enanthate	[no description available]	medium	1	0	steroid ester
betamethasone-17,21-dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester	antipsoriatic
olsalazine	[no description available]	medium	3	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
levamisole	[no description available]	medium	3	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
cephalexin	[no description available]	medium	7	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	4	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	7	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
cephapirin	[no description available]	medium	3	0	cephalosporin	antibacterial drug
bromocriptine	[no description available]	medium	6	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
metipranolol	[no description available]	medium	2	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
halazepam	[no description available]	medium	2	0	organic molecular entity
cefazolin	[no description available]	medium	6	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	9	0	penicillin allergen; penicillin	antibacterial drug
bitolterol	[no description available]	medium	1	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
tobramycin	[no description available]	medium	8	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	7	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
ribavirin	[no description available]	medium	7	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
guanadrel	[no description available]	medium	1	0	guanidines; spiroketal	adrenergic antagonist; antihypertensive agent
methyldopa	[no description available]	medium	11	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
levobunolol	[no description available]	medium	1	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
vecuronium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
permethrin	[no description available]	medium	5	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
sufentanil	[no description available]	medium	4	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
cefmetazole	[no description available]	medium	2	0	cephalosporin	antibacterial drug
desflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
idarubicin	[no description available]	medium	5	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
cefonicid	[no description available]	medium	2	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	5	0	penicillin allergen; penicillin	antibacterial drug
cefoperazone	[no description available]	medium	4	0	cephalosporin	antibacterial drug
lodoxamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
atracurium	[no description available]	medium	3	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
butoconazole	[no description available]	medium	1	0	aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes
naftifine	[no description available]	medium	1	0	allylamine antifungal drug; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor
pergolide	[no description available]	medium	2	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
cefadroxil anhydrous	[no description available]	medium	6	0	cephalosporin	antibacterial drug
nedocromil	[no description available]	medium	2	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
cefaclor anhydrous	[no description available]	medium	5	0	cephalosporin	antibacterial drug; drug allergen
alfentanil	[no description available]	medium	5	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	6	0
levocabastine	[no description available]	medium	1	0	piperidines
pravastatin	[no description available]	medium	5	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
cabergoline	[no description available]	medium	2	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
quinapril	[no description available]	medium	6	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
fosphenytoin	[no description available]	medium	2	0	imidazolidine-2,4-dione
finasteride	[no description available]	medium	3	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
esmolol	[no description available]	medium	3	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
adapalene	[no description available]	medium	1	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
sparfloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	7	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
cidofovir anhydrous	[no description available]	medium	4	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
topotecan	[no description available]	medium	4	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	3	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide	[no description available]	medium	3	0	benzenes; organic amino compound
remifentanil	[no description available]	medium	3	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
atorvastatin	[no description available]	medium	5	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	7	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
irinotecan	[no description available]	medium	5	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	6	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adenosine	[no description available]	medium	5	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
cefprozil	[no description available]	medium	4	0	cephalosporin; semisynthetic derivative	antibacterial drug
methylprednisolone aceponate	[no description available]	medium	1	0	corticosteroid hormone
dexamethasone 17-valerate	[no description available]	medium	1	0	21-hydroxy steroid
dexamethasone dipropionate	[no description available]	medium	1	0	corticosteroid hormone
iopamidol	[no description available]	medium	4	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
dexfenfluramine	[no description available]	medium	6	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
sertraline	[no description available]	medium	7	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
erythromycin propionate	[no description available]	medium	1	0	erythromycin derivative
dexrazoxane	[no description available]	medium	4	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
antebate	[no description available]	medium	1	0	corticosteroid hormone
flunisolide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
clarithromycin	[no description available]	medium	9	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
moexipril	[no description available]	medium	3	0	peptide
docetaxel	[no description available]	medium	3	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
levofloxacin	[no description available]	medium	10	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
ropivacaine	[no description available]	medium	2	0	piperidinecarboxamide; ropivacaine	local anaesthetic
estradiol 3-benzoate	[no description available]	medium	1	0	17beta-hydroxy steroid; benzoate ester	estrogen receptor agonist; xenoestrogen
estramustine	[no description available]	medium	5	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
ritonavir	[no description available]	medium	6	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
pentostatin	[no description available]	medium	3	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
meropenem	[no description available]	medium	4	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
cefoxitin	[no description available]	medium	6	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
saquinavir	[no description available]	medium	5	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	7	0
metyrosine	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
terconazole	[no description available]	medium	1	0	1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bacampicillin	[no description available]	medium	2	0	penicillanic acid ester	prodrug
erythromycin ethylsuccinate	[no description available]	medium	2	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
amcinonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug
betamethasone acetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone
acarbose	[no description available]	medium	3	0	amino cyclitol; glycoside
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
fosfomycin	[no description available]	medium	5	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	7	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
teniposide	[no description available]	medium	5	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefamandole	[no description available]	medium	4	0	cephalosporin; semisynthetic derivative	antibacterial drug
dactinomycin	[no description available]	medium	5	0	actinomycin	mutagen
melphalan	[no description available]	medium	7	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
sch 22219	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester	anti-inflammatory drug
mezlocillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
cholinophyllin	[no description available]	medium	1	0
fludarabine	[no description available]	medium	3	0	purine nucleoside
propylthiouracil	[no description available]	medium	7	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
ipratropium bromide anhydrous	[no description available]	medium	3	0
etomidate	[no description available]	medium	4	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
benztropine	[no description available]	medium	2	0	diarylmethane
enclomiphene	[no description available]	medium	1	0
thioguanine anhydrous	[no description available]	medium	6	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
succimer	[no description available]	medium	2	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
streptozocin	[no description available]	medium	6	0
ethionamide	[no description available]	medium	6	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
dezocine	[no description available]	medium	1	0	phenols; primary amino compound	opioid analgesic
dapiprazole	[no description available]	medium	1	0	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug
flosequinan	[no description available]	medium	2	0	quinolines
calcitriol	[no description available]	medium	4	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
alprostadil	[no description available]	medium	5	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	7	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
pulmicort	[no description available]	medium	6	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
olopatadine	[no description available]	medium	1	0
bw b1090u	[no description available]	medium	1	0	isoquinolines
7432 s	[no description available]	medium	3	0	cephalosporin; dicarboxylic acid	antibacterial drug
etretinate	[no description available]	medium	2	0	enoate ester; ethyl ester; retinoid	keratolytic drug
misoprostol	[no description available]	medium	2	0
epoprostenol	[no description available]	medium	2	0	prostaglandins I	mouse metabolite
betamethasone benzoate	[no description available]	medium	1	0	21-hydroxy steroid
dorzolamide	[no description available]	medium	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
ly 163892	[no description available]	medium	7	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
topiramate	[no description available]	medium	5	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
calcipotriene	[no description available]	medium	1	0	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen
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
fluticasone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
halobetasol	[no description available]	medium	1	0	corticosteroid hormone
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
rimexolone	[no description available]	medium	1	0	20-oxo steroid
vinorelbine	[no description available]	medium	6	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
oxiconazole	[no description available]	medium	1	0	conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether	antiinfective agent
butorphanol	[no description available]	medium	4	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefixime	[no description available]	medium	5	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	6	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril	[no description available]	medium	4	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ramipril	[no description available]	medium	4	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	4	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
cefuroxime	[no description available]	medium	5	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	5	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime	[no description available]	medium	4	0	cephalosporin; oxime O-ether	antibacterial drug
ceftazidime	[no description available]	medium	8	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril	[no description available]	medium	4	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
cefotaxime	[no description available]	medium	4	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	6	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cci 15641	[no description available]	medium	1	0	cephalosporin
cefpodoxime	[no description available]	medium	2	0	carboxylic acid; cephalosporin	antibacterial drug
dirithromycin	[no description available]	medium	2	0	macrolide antibiotic	prodrug
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
ceftizoxime	[no description available]	medium	4	0	cephalosporin	antibacterial drug
dantrolene	[no description available]	medium	5	0
fosinopril	[no description available]	medium	3	0
nystatin a1	[no description available]	medium	2	0	nystatins
mesna	[no description available]	medium	3	0	organosulfonic acid
cefamandole nafate	[no description available]	medium	1	0	organic sodium salt	antibacterial drug; prodrug
minocycline	[no description available]	medium	7	0
meclocycline	[no description available]	medium	1	0
acyclovir	[no description available]	medium	7	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
didanosine	[no description available]	medium	6	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	6	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valacyclovir	[no description available]	medium	2	0	L-valyl ester	antiviral drug
penciclovir	[no description available]	medium	3	0	2-aminopurines; propane-1,3-diols	antiviral drug
rifabutin	[no description available]	medium	6	0
quinacrine	[no description available]	medium	6	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
3-methylcholanthrene	[no description available]	medium	4	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
chlorcyclizine	[no description available]	medium	3	0	diarylmethane
deferoxamine	[no description available]	medium	4	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
donepezil	[no description available]	medium	6	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxapram	[no description available]	medium	4	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
ethyl loflazepate	[no description available]	medium	3	0	organic molecular entity
fenofibrate	[no description available]	medium	7	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
homochlorocyclizine	[no description available]	medium	2	0	diarylmethane
meclizine	[no description available]	medium	5	0	diarylmethane
methapyrilene	[no description available]	medium	5	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
oxidopamine	[no description available]	medium	2	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
perhexiline	[no description available]	medium	5	0	piperidines	cardiovascular drug
procaine	[no description available]	medium	7	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
suramin	[no description available]	medium	4	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
temozolomide	[no description available]	medium	6	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
tilorone	[no description available]	medium	2	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
pirinixic acid	[no description available]	medium	3	0	aryl sulfide; organochlorine compound; pyrimidines
carbon tetrachloride	[no description available]	medium	4	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
physostigmine	[no description available]	medium	10	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
chloroform	[no description available]	medium	4	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
triparanol	[no description available]	medium	2	0	stilbenoid	anticoronaviral agent
hydrazine	[no description available]	medium	7	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
norchlorcyclizine	[no description available]	medium	2	0
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	2	0	aromatic amine
cyproterone acetate	[no description available]	medium	5	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
chlorphentermine	[no description available]	medium	2	0	amphetamines
1-naphthylisothiocyanate	[no description available]	medium	4	0	isothiocyanate	insecticide
paraquat	[no description available]	medium	4	0	organic cation	geroprotector; herbicide
clomacran	[no description available]	medium	3	0	acridines
iprindole	[no description available]	medium	2	0	indoles
ethionine	[no description available]	medium	4	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
amineptin	[no description available]	medium	6	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
amikacin	[no description available]	medium	5	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
nonachlazine	[no description available]	medium	3	0
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	2	0	stilbenoid
synthalin a	[no description available]	medium	3	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
disobutamide	[no description available]	medium	2	0	acetamides
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	2	0
glucosamine	[no description available]	medium	5	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
abacavir	[no description available]	medium	7	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
clindamycin	[no description available]	medium	6	0
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
dibekacin	[no description available]	medium	3	0	kanamycins	antibacterial agent; protein synthesis inhibitor
thioacetamide	[no description available]	medium	4	0	thiocarboxamide	hepatotoxic agent
stilbamidine	[no description available]	medium	3	0
zimeldine	[no description available]	medium	3	0	styrenes
gentamicin sulfate	[no description available]	medium	5	0
azacosterol	[no description available]	medium	2	0
hypoglycin a	[no description available]	medium	2	0	L-alpha-amino acid
amodiaquine hydrochloride	[no description available]	medium	5	0
valproate sodium	[no description available]	medium	2	0	organic sodium salt	geroprotector
chlortetracycline	[no description available]	medium	7	0
demeclocycline	[no description available]	medium	5	0
rolitetracycline	[no description available]	medium	5	0
alosetron	[no description available]	medium	3	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
candesartan	[no description available]	medium	4	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
avapro	[no description available]	medium	7	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
letrozole	[no description available]	medium	3	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
naratriptan	[no description available]	medium	3	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
pantoprazole	[no description available]	medium	5	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
rizatriptan	[no description available]	medium	3	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rofecoxib	[no description available]	medium	2	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ropinirole	[no description available]	medium	2	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
saccharin	[no description available]	medium	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
telenzepine	[no description available]	medium	2	0	benzodiazepine
zaleplon	[no description available]	medium	3	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
penicillin g	[no description available]	medium	6	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
phencyclidine	[no description available]	medium	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
fluocortolone	[no description available]	medium	1	0	21-hydroxy steroid
floxacillin	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug
levomethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	antitussive; mu-opioid receptor agonist; NMDA receptor antagonist; opioid analgesic
phenylethylmalonamide	[no description available]	medium	1	0	amine
metopimazine	[no description available]	medium	1	0	phenothiazines
metergoline	[no description available]	medium	2	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
endralazine	[no description available]	medium	2	0	benzamides
pirazolac	[no description available]	medium	1	0
atomoxetine	[no description available]	medium	6	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
eproxindine	[no description available]	medium	1	0
(S)-nomifensine	[no description available]	medium	1	0	nomifensine
(2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid	[no description available]	medium	1	0	phenylalanine derivative
tiagabine	[no description available]	medium	3	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
ziprasidone	[no description available]	medium	3	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
zolmitriptan	[no description available]	medium	3	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
emtricitabine	[no description available]	medium	2	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
pipothiazine	[no description available]	medium	1	0
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
repaglinide	[no description available]	medium	3	0	piperidines
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
fenflumizole	[no description available]	medium	1	0
prednisolone phosphate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
(S)-flurbiprofen	[no description available]	medium	1	0	flurbiprofen
eletriptan	[no description available]	medium	3	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
lekoptin	[no description available]	medium	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
tarenflurbil	[no description available]	medium	1	0	flurbiprofen
bosentan anhydrous	[no description available]	medium	6	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
pramipexole	[no description available]	medium	2	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
almotriptan	[no description available]	medium	3	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
gefitinib	[no description available]	medium	5	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
escitalopram	[no description available]	medium	2	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
moxifloxacin	[no description available]	medium	5	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
disopyramide, (s)-isomer	[no description available]	medium	1	0
isradipine, (s)-isomer	[no description available]	medium	1	0
olmesartan	[no description available]	medium	2	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
ketoprofen	[no description available]	medium	1	0
digitoxin	[no description available]	medium	6	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
linezolid	[no description available]	medium	3	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
chloramphenicol palmitate	[no description available]	medium	3	0	hexadecanoate ester
chloroquine diphosphate	[no description available]	medium	2	0	chloroquine
dextromethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	NMDA receptor antagonist; opioid analgesic
dexketoprofen	[no description available]	medium	1	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ondansetron, (s)-isomer	[no description available]	medium	1	0
eszopiclone	[no description available]	medium	2	0	zopiclone	central nervous system depressant; sedative
methimazole	[no description available]	medium	7	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
hmr 3647	[no description available]	medium	6	0
tocainide, (s)-isomer	[no description available]	medium	1	0
clavulanic acid	[no description available]	medium	3	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
montelukast	[no description available]	medium	7	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
proscillaridin	[no description available]	medium	1	0	organic molecular entity
sirolimus	[no description available]	medium	3	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
(R)-citalopram	[no description available]	medium	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	4	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
dutasteride	[no description available]	medium	2	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
gemifloxacin	[no description available]	medium	2	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
norfenfluramine	[no description available]	medium	1	0	amphetamines
milnacipran	[no description available]	medium	2	0	acetamides
oxytetracycline, anhydrous	[no description available]	medium	7	0
methacycline	[no description available]	medium	1	0
(S)-warfarin	[no description available]	medium	1	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
sildenafil	[no description available]	medium	5	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil	[no description available]	medium	3	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	3	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acetazolamide	[no description available]	medium	10	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetazolamide	[no description available]	medium	10	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
alfuzosin	[no description available]	medium	3	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amsacrine	[no description available]	medium	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
biperiden	[no description available]	medium	2	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bromazepam	[no description available]	medium	1	0	organic molecular entity
bromopride	[no description available]	medium	1	0	benzamides
buflomedil	[no description available]	medium	2	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
bupivacaine	[no description available]	medium	10	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
amphetamine	[no description available]	medium	3	0	primary amine
dyphylline	[no description available]	medium	3	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
fenspiride	[no description available]	medium	1	0	azaspiro compound
fleroxacin	[no description available]	medium	2	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
hydroflumethiazide	[no description available]	medium	4	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hypericin	[no description available]	medium	1	0
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
ketanserin	[no description available]	medium	3	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
mepivacaine	[no description available]	medium	5	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	6	0	organic molecular entity
methylphenidate	[no description available]	medium	7	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	4	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
acecainide	[no description available]	medium	2	0	acetamides; benzamides	anti-arrhythmia drug
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
nomifensine	[no description available]	medium	5	0	isoquinolines	dopamine uptake inhibitor
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	2	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
papaverine	[no description available]	medium	5	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentobarbital	[no description available]	medium	4	0	barbiturates	GABAA receptor agonist
moxonidine	[no description available]	medium	2	0	organohalogen compound; pyrimidines
pimobendan	[no description available]	medium	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
piretanide	[no description available]	medium	1	0	aromatic ether
prilocaine	[no description available]	medium	3	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
pyridostigmine	[no description available]	medium	2	0	pyridinium ion
pyrimethamine	[no description available]	medium	9	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole	[no description available]	medium	3	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
risedronic acid	[no description available]	medium	5	0	pyridines
imatinib	[no description available]	medium	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	3	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
gatifloxacin	[no description available]	medium	5	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tinidazole	[no description available]	medium	3	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tranexamic acid	[no description available]	medium	3	0	amino acid
viloxazine	[no description available]	medium	1	0	aromatic ether
zopiclone	[no description available]	medium	3	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
cephaloridine	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
cephalothin	[no description available]	medium	4	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	3	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	6	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	4	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	6	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	medium	4	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	3	0	bromide salt
pirinitramide	[no description available]	medium	1	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	6	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
galantamine	[no description available]	medium	3	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
ketobemidone	[no description available]	medium	1	0	piperidines
methamphetamine	[no description available]	medium	4	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
lormetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
vinblastine	[no description available]	medium	4	0
vancomycin	[no description available]	medium	7	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	1	0	aromatic ketone
spectinomycin	[no description available]	medium	3	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	1	0	aromatic ketone
chlordesmethyldiazepam	[no description available]	medium	1	0	benzodiazepine
doxifluridine	[no description available]	medium	3	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
streptomycin	[no description available]	medium	6	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
carbenicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	1	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
metocurine iodide	[no description available]	medium	1	0	aromatic ether
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
toloxatone	[no description available]	medium	1	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
amdinocillin	[no description available]	medium	1	0	penicillin	antibacterial drug; antiinfective agent
ticarcillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
adinazolam	[no description available]	medium	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
tolamolol	[no description available]	medium	2	0
cephradine	[no description available]	medium	5	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
sulbenicillin	[no description available]	medium	1	0	penicillin
medroxalol	[no description available]	medium	1	0	salicylamides
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
moxalactam	[no description available]	medium	2	0	cephalosporin; oxacephem	antibacterial drug
pefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
recainam	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0	aminopyridine
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
bambuterol	[no description available]	medium	5	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
trospectomycin	[no description available]	medium	2	0	dioxanes
sematilide	[no description available]	medium	1	0
clinafloxacin	[no description available]	medium	3	0	quinolines
adefovir	[no description available]	medium	2	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
loxiglumide	[no description available]	medium	1	0	organic molecular entity
aripiprazole	[no description available]	medium	2	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
ibandronic acid	[no description available]	medium	4	0
zanamivir	[no description available]	medium	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
tirofiban	[no description available]	medium	2	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fosinoprilat	[no description available]	medium	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin	[no description available]	medium	6	0
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	1	0	glutamic acid derivative
intoplicine	[no description available]	medium	2	0	pyridoindole
telmisartan	[no description available]	medium	5	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
ethinyl estradiol-17-sulfate	[no description available]	medium	1	0
ethinylestradiol-3-sulfate	[no description available]	medium	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
cefcanel	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	3	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	1	0	steroid acid
talinolol	[no description available]	medium	1	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
nebivolol	[no description available]	medium	3	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
ljc 10627	[no description available]	medium	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
voriconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	1	0
squalamine	[no description available]	medium	1	0	bile acid
rivastigmine	[no description available]	medium	3	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	2	0	carbazoles
rosiglitazone	[no description available]	medium	5	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
mci 9038	[no description available]	medium	2	0	peptide
imipenem, anhydrous	[no description available]	medium	1	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	1	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
2-hydroxyimipramine	[no description available]	medium	1	0	dibenzoazepine
ecteinascidin 743	[no description available]	medium	2	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
tamsulosin	[no description available]	medium	2	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	2	0	penicillanic acids
dilevalol	[no description available]	medium	2	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
irofulven	[no description available]	medium	1	0	cyclohexenones
ym 872	[no description available]	medium	1	0
ertapenem	[no description available]	medium	2	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951	[no description available]	medium	1	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	1	0	methoxybenzenes
conivaptan	[no description available]	medium	2	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	2	0
sabarubicin	[no description available]	medium	1	0
clevidipine	[no description available]	medium	2	0	dihydropyridine
solifenacin	[no description available]	medium	2	0	isoquinolines
abanoquil	[no description available]	medium	1	0
anidulafungin	[no description available]	medium	2	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
melagatran	[no description available]	medium	1	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
tesaglitazar	[no description available]	medium	1	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	1	0
nsc-89199	[no description available]	medium	2	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	3	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	3	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
bortezomib	[no description available]	medium	3	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
miglitol	[no description available]	medium	2	0	piperidines
tolterodine	[no description available]	medium	4	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
darifenacin	[no description available]	medium	2	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
cerivastatin	[no description available]	medium	4	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	medium	3	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
bms 214662	[no description available]	medium	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide	[no description available]	medium	2	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
gs 4071	[no description available]	medium	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
decitabine	[no description available]	medium	3	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	1	0
troxacitabine	[no description available]	medium	1	0	carbohydrate derivative; nucleobase-containing molecular entity
tiazofurin	[no description available]	medium	3	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
sitafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	3	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
micafungin	[no description available]	medium	3	0	antibiotic antifungal drug; echinocandin	antiinfective agent
tropisetron	[no description available]	medium	1	0	indolyl carboxylic acid
leuprolide	[no description available]	medium	3	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
drotaverin	[no description available]	medium	1	0	isoquinolines
cancidas	[no description available]	medium	2	0
thiopental	[no description available]	medium	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
nelarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	1	0	aromatic ether
dolasetron	[no description available]	medium	2	0	indolyl carboxylic acid
or 1259	[no description available]	medium	2	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	4	0	steroid	estrogen
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	2	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
eprosartan	[no description available]	medium	4	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
mivacurium	[no description available]	medium	2	0	isoquinolines
paricalcitol	[no description available]	medium	2	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	2	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	2	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	2	0	phenylalanine derivative
romidepsin	[no description available]	medium	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cefodizime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	1	0	phenanthrenes
enalaprilat anhydrous	[no description available]	medium	4	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
hr 810	[no description available]	medium	1	0	cephalosporin; cyclopentapyridine
cefetamet	[no description available]	medium	1	0	cephalosporin
ginkgolide b	[no description available]	medium	1	0
palonosetron	[no description available]	medium	2	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cefatrizine	[no description available]	medium	1	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	2	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
ixabepilone	[no description available]	medium	3	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
verlukast	[no description available]	medium	1	0
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
artesunate	[no description available]	medium	2	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	2	0	macrolide lactam
bms188797	[no description available]	medium	1	0
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
tomopenem	[no description available]	medium	1	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
bn 52020	[no description available]	medium	1	0
vindesine	[no description available]	medium	2	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	1	0
ly-146032	[no description available]	medium	2	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin	[no description available]	medium	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
cetrorelix	[no description available]	medium	2	0	oligopeptide	antineoplastic agent; GnRH antagonist
roquinimex	[no description available]	medium	1	0	aromatic amide
mobic	[no description available]	medium	6	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
tigecycline	[no description available]	medium	2	0
dacarbazine	[no description available]	medium	6	0	dacarbazine
leucovorin	[no description available]	medium	3	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	2	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	2	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
triprolidine	[no description available]	medium	5	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
3-methylsalicylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	bacterial xenobiotic metabolite
sulfosalicylic acid	[no description available]	medium	1	0	arenesulfonic acid; benzoic acids; phenols	metabolite
chlordecone	[no description available]	medium	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
5,6-dimethylbenzimidazole	[no description available]	medium	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
hexachlorocyclohexane	[no description available]	medium	3	0	chlorocyclohexane
parathion	[no description available]	medium	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol	[no description available]	medium	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
pyrazinamide	[no description available]	medium	7	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
acetohexamide	[no description available]	medium	4	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ametantrone	[no description available]	medium	1	0
2-aminothiazole	[no description available]	medium	1	0	1,3-thiazoles; primary amino compound
azinphosmethyl	[no description available]	medium	1	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
bromhexine	[no description available]	medium	4	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
celiprolol	[no description available]	medium	2	0	aromatic ketone
chloral hydrate	[no description available]	medium	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol	[no description available]	medium	3	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
debrisoquin	[no description available]	medium	2	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
dicamba	[no description available]	medium	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlorphenamide	[no description available]	medium	2	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	2	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diethylcarbamazine	[no description available]	medium	3	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	5	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
dipyridamole	[no description available]	medium	8	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
glutethimide	[no description available]	medium	5	0	piperidines
guanethidine	[no description available]	medium	3	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
iproniazid	[no description available]	medium	5	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	4	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
mechlorethamine	[no description available]	medium	3	0	nitrogen mustard; organochlorine compound	alkylating agent
mephenytoin	[no description available]	medium	4	0	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	high	3	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide	[no description available]	medium	2	0	benzothiadiazine
methyl salicylate	[no description available]	medium	3	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
clorgyline	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid	[no description available]	medium	9	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	medium	4	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nylidrin	[no description available]	medium	1	0	alkylbenzene
4-dichlorobenzene	[no description available]	medium	3	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	1	0	acetamides
phentermine	[no description available]	medium	4	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
pipobroman	[no description available]	medium	1	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
polythiazide	[no description available]	medium	2	0	benzothiadiazine
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
semustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
streptonigrin	[no description available]	medium	2	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	medium	3	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine	[no description available]	medium	1	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	5	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethoxypyridazine	[no description available]	medium	2	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	4	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine	[no description available]	medium	2	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	3	0	organohalogen compound; pyrimidines
thiabendazole	[no description available]	medium	5	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2,2'-thiodiethanol	[no description available]	medium	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
trichlormethiazide	[no description available]	medium	3	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
urethane	[no description available]	medium	2	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	2	0	piperidines
reserpine	[no description available]	medium	4	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
triethylenemelamine	[no description available]	medium	1	0	1,3,5-triazines	alkylating agent; insect sterilant
allobarbital	[no description available]	medium	2	0	barbiturates
paramethasone	[no description available]	medium	2	0	fluorinated steroid
azauridine	[no description available]	medium	2	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
idoxuridine	[no description available]	medium	3	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
dromostanolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
thiamine	[no description available]	medium	1	0	organic chloride salt; vitamin B1
niridazole	[no description available]	medium	2	0	1,3-thiazoles; C-nitro compound
zoxazolamine	[no description available]	medium	1	0	benzoxazole
uracil mustard	[no description available]	medium	3	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
fluocinolone acetonide	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
mannitol	[no description available]	medium	4	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
sulfobromophthalein sodium	[no description available]	medium	2	0	organic sodium salt	dye
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
pseudoephedrine	[no description available]	medium	4	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	2	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
dicloran	[no description available]	medium	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
phenylhydrazine	[no description available]	medium	1	0	phenylhydrazines	xenobiotic
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
chloranil	[no description available]	medium	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
amiben	[no description available]	medium	1	0	chlorobenzoic acid
monuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
iminodiacetic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
diazooxonorleucine	[no description available]	medium	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
methylpentynol carbamate	[no description available]	medium	1	0
mechlorethamine n-oxide	[no description available]	medium	1	0	nitrogen mustard
linuron	[no description available]	medium	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide	[no description available]	medium	2	0	benzenes; sulfonamide
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
pamaquine	[no description available]	medium	1	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
medroxyprogesterone	[no description available]	medium	4	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
apronalide	[no description available]	medium	1	0	N-acylurea
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
metahexamide	[no description available]	medium	1	0	benzenes; sulfonamide
toyocamycin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
hadacidin	[no description available]	medium	1	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
carbophenothion	[no description available]	medium	1	0	organic sulfide
porfiromycin	[no description available]	medium	1	0
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone	[no description available]	medium	1	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
pyrithioxin	[no description available]	medium	1	0	methylpyridines
nsc 65346	[no description available]	medium	1	0	nucleoside analogue	protein kinase inhibitor
guanazole	[no description available]	medium	1	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa	[no description available]	medium	1	0	phosphoramide
ioxynil	[no description available]	medium	1	0	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic
bromoxynil	[no description available]	medium	1	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
picloram	[no description available]	medium	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
ethoglucid	[no description available]	medium	1	0	epoxide
azaribine	[no description available]	medium	2	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
1,3,5-triglycidyl-s-triazinetrione	[no description available]	medium	1	0
acetophenazine	[no description available]	medium	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
improsan	[no description available]	medium	1	0	organosulfonic ester
piperacetazine	[no description available]	medium	1	0	phenothiazines
pentaquine	[no description available]	medium	1	0
isopentenyladenosine	[no description available]	medium	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
ancitabine	[no description available]	medium	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
phenacid	[no description available]	medium	1	0
xipamide	[no description available]	medium	3	0	benzamides
pentamethylmelamine	[no description available]	medium	2	0
calusterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
etoprine	[no description available]	medium	1	0
razoxane	[no description available]	medium	1	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
triamcinolone	[no description available]	medium	3	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
azetepa	[no description available]	medium	1	0	phosphoramide
ripazepam	[no description available]	medium	1	0	benzenes
prednimustine	[no description available]	medium	1	0	corticosteroid hormone
amygdalin	[no description available]	medium	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
nimustine	[no description available]	medium	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
butibufen	[no description available]	medium	2	0	monoterpenoid
spiromustine	[no description available]	medium	1	0
diaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
triciribine phosphate	[no description available]	medium	1	0
bw-755c	[no description available]	medium	1	0
piritrexim	[no description available]	medium	3	0
caracemide	[no description available]	medium	1	0
cilazapril, anhydrous	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones
morzid	[no description available]	medium	1	0	morpholines
febrifugine	[no description available]	medium	1	0	quinazolines
thymine arabinoside	[no description available]	medium	1	0	N-glycosyl compound
psicofuranine	[no description available]	medium	1	0	psicose derivative; purine nucleoside
triciribine	[no description available]	medium	1	0	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine	[no description available]	medium	1	0
bendamustine	[no description available]	medium	3	0	benzimidazoles
trofosfamide	[no description available]	medium	1	0	ifosfamides
4-aminobenzoic acid-n-xyloside	[no description available]	medium	1	0
fotrin	[no description available]	medium	1	0
sufosfamide	[no description available]	medium	1	0
propatyl nitrate	[no description available]	medium	1	0	nitrate ester
sulfamidochrysoidine	[no description available]	medium	1	0
ibopamine	[no description available]	medium	2	0	benzoate ester; phenols
pumitepa	[no description available]	medium	1	0
elmustine	[no description available]	medium	1	0
forphenicinol	[no description available]	medium	1	0
dipropylacetamide	[no description available]	medium	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
inproquone	[no description available]	medium	1	0
neplanocin a	[no description available]	medium	1	0
1-ethoxysilatrane	[no description available]	medium	1	0
tretazicar	[no description available]	medium	1	0
nsc-172755	[no description available]	medium	1	0
streptovitacin a	[no description available]	medium	1	0
cb 10375	[no description available]	medium	1	0
carbenicillin indanyl	[no description available]	medium	1	0	penicillin
cb 1837	[no description available]	medium	1	0
hexaphosphamide	[no description available]	medium	1	0
dipin	[no description available]	medium	1	0
phosphazine	[no description available]	medium	1	0
diiodobenzotepa	[no description available]	medium	1	0
icig 1163	[no description available]	medium	1	0
bimolane	[no description available]	medium	1	0
thiodipin	[no description available]	medium	1	0
fluoxydine	[no description available]	medium	1	0
imiphos	[no description available]	medium	1	0
aldophosphamide	[no description available]	medium	1	0	nitrogen mustard
perindopril	[no description available]	medium	3	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione	[no description available]	medium	1	0
oxymatrine	[no description available]	medium	1	0	alkaloid; tertiary amine oxide
1,1,2-trichloroethanol	[no description available]	medium	1	0
iremycin	[no description available]	medium	1	0
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine	[no description available]	medium	1	0
hainanensine	[no description available]	medium	1	0
ritrosulfan	[no description available]	medium	1	0
damvar	[no description available]	medium	1	0
benzo-tepa	[no description available]	medium	1	0
tevenel	[no description available]	medium	1	0	sulfonamide
tac 278	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid	[no description available]	medium	1	0
deflazacort	[no description available]	medium	2	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
indicine-n-oxide	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	1	0
oxytocin	[no description available]	medium	3	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
angustibalin	[no description available]	medium	1	0	sesquiterpene lactone
metrizamide	[no description available]	medium	1	0	amino sugar
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
dipyrone	[no description available]	high	4	2	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
dipyrone	[no description available]	high	4	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol	[no description available]	medium	1	0	alkylbenzene
aceglatone	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	3	0
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	1	0	alcohol; organobromine compound
octotropine methylbromide	[no description available]	medium	3	0
methylatropine nitrate	[no description available]	medium	2	0
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
6-thioguanosine	[no description available]	medium	1	0	purine nucleoside
thiocarlide	[no description available]	medium	1	0	thioureas
mannomustine	[no description available]	medium	1	0	amino alcohol
glucametacin	[no description available]	medium	2	0
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea	[no description available]	medium	1	0
cynarine	[no description available]	medium	3	0	alkyl caffeate ester; quinic acid	plant metabolite
dihydrocodeine	[no description available]	medium	5	0	morphinane alkaloid
pactamycin	[no description available]	medium	1	0
anthramycin	[no description available]	medium	1	0
lacidipine	[no description available]	medium	2	0	cinnamate ester; tert-butyl ester
cytochalasin b	[no description available]	medium	2	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
irisquinone	[no description available]	medium	1	0
mitoguazone	[no description available]	medium	1	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
nitrofurazone	[no description available]	medium	2	0
ceftiofur	[no description available]	medium	1	0
sibiromycin	[no description available]	medium	1	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
butylscopolammonium bromide	[no description available]	medium	3	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
thioacetazone	[no description available]	medium	1	0
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	2	0	21-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose	[no description available]	medium	1	0
ro 6-4563	[no description available]	medium	1	0	monoterpenoid
flucloronide	[no description available]	medium	1	0	21-hydroxy steroid
hainanolide	[no description available]	medium	1	0
gliocladic acid	[no description available]	medium	1	0	p-menthane monoterpenoid
cleistanthin	[no description available]	medium	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
nimorazole	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	6	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	2	0
7-deazaguanosine	[no description available]	medium	1	0
pyrazofurin	[no description available]	medium	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate	[no description available]	medium	1	0	folic acids
5-methyltetrahydrohomofolic acid	[no description available]	medium	1	0
ninopterin	[no description available]	medium	1	0
caffeic acid	[no description available]	medium	3	0	caffeic acid	geroprotector; mouse metabolite
acetic acid	[no description available]	medium	3	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
betaine	[no description available]	medium	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	2	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
creatine	[no description available]	medium	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	4	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	3	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formaldehyde	[no description available]	medium	3	1	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
inositol	[no description available]	medium	3	0	cyclitol; hexol
niacinamide	[no description available]	medium	3	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	6	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenylacetic acid	[no description available]	medium	2	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyridoxal phosphate	[no description available]	medium	1	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	4	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	4	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	2	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
albendazole	[no description available]	medium	4	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
ambroxol	[no description available]	medium	2	0	aromatic amine
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	1	0	anthracenes	antipsoriatic
barbital	[no description available]	medium	2	0	barbiturates	drug allergen
barbital	[no description available]	medium	2	1	barbiturates	drug allergen
bendazac	[no description available]	medium	2	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	6	0	1-benzofurans; aromatic ketone	uricosuric drug
bay h 4502	[no description available]	medium	2	0	biphenyls; imidazoles
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carprofen	[no description available]	medium	6	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
celecoxib	[no description available]	high	4	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorzoxazone	[no description available]	medium	6	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
clomiphene	[no description available]	medium	3	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
ethoxzolamide	[no description available]	medium	2	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
fomepizole	[no description available]	medium	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	medium	4	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
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
hexachlorophene	[no description available]	medium	4	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
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
2-propanol	[no description available]	medium	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoxsuprine	[no description available]	medium	2	0	alkylbenzene
khellin	[no description available]	medium	2	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	2	0	organic molecular entity
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
vitamin k 3	[no description available]	medium	5	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	medium	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methyprylon	[no description available]	medium	1	0	organic molecular entity
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mitotane	[no description available]	medium	2	0	diarylmethane
modafinil	[no description available]	medium	2	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	3	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nialamide	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenoxybenzamine	[no description available]	medium	2	0	aromatic amine
pinacidil	[no description available]	medium	4	0	pyridines
pipemidic acid	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
opc 12759	[no description available]	medium	1	0	secondary carboxamide
sibutramine	[no description available]	medium	2	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
sulfamerazine	[no description available]	medium	3	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethizole	[no description available]	medium	7	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) 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
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	2	0	alkylbenzene
tolperisone	[no description available]	medium	1	0	aromatic ketone
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	2	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	2	0	corticosteroid hormone
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
phentolamine	[no description available]	medium	3	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	4	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
dextroamphetamine	[no description available]	medium	3	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
trichlorfon	[no description available]	medium	2	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
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
nad	[no description available]	medium	1	0	NAD	geroprotector
glutamine	[no description available]	medium	3	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	2	0	benzoquinolizine; cyclic ketone; tertiary amino compound
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	3	0	lactose
methionine	[no description available]	medium	4	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
benziodarone	[no description available]	medium	2	0	aromatic ketone
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	6	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
arginine	[no description available]	medium	5	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	3	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	2	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
synephrine	[no description available]	medium	2	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	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
phenformin	[no description available]	medium	3	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	3	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	2	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	5	0	quinolines
quinestrol	[no description available]	medium	2	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	4	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
aminophylline	[no description available]	medium	2	0	mixture	bronchodilator agent; cardiotonic drug
phenyramidol	[no description available]	medium	1	0	aminopyridine
nandrolone decanoate	[no description available]	medium	2	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
glycyrrhetinic acid	[no description available]	medium	2	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant 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	2	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	2	0	glycosylfructose	gastrointestinal drug; laxative
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
sulfadoxine	[no description available]	medium	2	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
iproclozide	[no description available]	medium	1	0	aromatic ether
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
vidarabine	[no description available]	medium	3	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
oxyphenisatin	[no description available]	medium	2	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	2	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	3	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
ticrynafen	[no description available]	medium	4	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	5	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
miglustat	[no description available]	medium	2	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
clopidogrel	[no description available]	medium	2	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
duloxetine	[no description available]	medium	2	0	duloxetine
adefovir dipivoxil	[no description available]	medium	2	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	2	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
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	2	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	2	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
medetomidine	[no description available]	medium	1	0	imidazoles
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
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
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
nitisinone	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	2	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	2	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1	0
olmesartan medoxomil	[no description available]	medium	2	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
cariporide	[no description available]	medium	1	0
jtt 501	[no description available]	medium	1	0
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	2	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	3	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
troleandomycin	[no description available]	medium	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	2	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	2	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	2	0	1-benzofurans
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	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
nexavar	[no description available]	medium	1	0	organosulfonate salt
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	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
doxorubicin hydrochloride	[no description available]	medium	3	0	anthracycline
ao 128	[no description available]	medium	1	0	organic molecular entity
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	4	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
drf 2725	[no description available]	medium	3	0
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
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
sodium bicarbonate	[no description available]	medium	4	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	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
prothionamide	[no description available]	medium	2	0	pyridines
capsaicin	[no description available]	medium	4	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
tacrine hydrochloride	[no description available]	medium	2	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
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
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
orlistat	[no description available]	medium	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
dinoprostone	[no description available]	medium	5	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprostone	[no description available]	medium	5	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
oxymetholone	[no description available]	medium	2	0
mycophenolate mofetil	[no description available]	medium	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	2	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
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	2	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	2	0
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	4	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	1	0
furazolidone	[no description available]	medium	4	0
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
molsidomine	[no description available]	medium	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
bleomycin	[no description available]	medium	2	0	bleomycin	antineoplastic agent; metabolite
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
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	3	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
guanabenz acetate	[no description available]	medium	2	0	dichlorobenzene	geroprotector
proguanil	[no description available]	medium	2	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	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
dantrolene sodium	[no description available]	medium	3	0
roxithromycin	[no description available]	medium	3	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	2	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
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
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	4	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
tannins	[no description available]	medium	1	0	tannin
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	2	0	organic sodium salt; organoiodine compound	radioopaque medium
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
acenocoumarol	[no description available]	medium	5	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
phenprocoumon	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
lornoxicam	[no description available]	medium	3	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lornoxicam	[no description available]	medium	3	1	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
entecavir	[no description available]	medium	2	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine	[no description available]	medium	2	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	4	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
aminooxyacetic acid	[no description available]	medium	1	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
aprindine	[no description available]	medium	1	0	indanes
bretylium	[no description available]	medium	1	0	quaternary ammonium ion	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
3,4-dihydroxybenzohydroxamic acid	[no description available]	medium	1	0	benzoic acids
incadronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
nsc 664704	[no description available]	medium	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
methoxyamine	[no description available]	medium	1	0	organooxygen compound
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sterogenol	[no description available]	medium	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
cycloguanil	[no description available]	medium	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
benzohydroxamic acid	[no description available]	medium	1	0
pyrodifenium bromide	[no description available]	medium	1	0	organic molecular entity
amopyroquine	[no description available]	medium	1	0
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine	[no description available]	medium	2	0	chlorphenamine
halofantrine	[no description available]	medium	1	0	phenanthrenes
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
salmeterol xinafoate	[no description available]	medium	1	0	naphthoic acid
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
propamidine	[no description available]	medium	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
sinefungin	[no description available]	medium	1	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
droxicam	[no description available]	medium	2	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
etofibrate	[no description available]	medium	2	0	monocarboxylic acid
pirlindole	[no description available]	medium	1	0	carbazoles
artemether	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
rexigen	[no description available]	medium	1	0
aceclofenac	[no description available]	medium	3	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
clociguanil	[no description available]	medium	2	0
tebuquine	[no description available]	medium	1	0
cryptolepine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate	[no description available]	medium	1	0
desethylchloroquine	[no description available]	medium	1	0	aminoquinoline
wr 159412	[no description available]	medium	1	0
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
benzyloxyamine	[no description available]	medium	1	0
pyronaridine	[no description available]	medium	1	0	aminoquinoline
tafenoquine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
desethylamodiaquine	[no description available]	medium	1	0
n,n-dideethylchloroquine	[no description available]	medium	1	0
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine	[no description available]	medium	1	0
ne 58051	[no description available]	medium	1	0
wr 242511	[no description available]	medium	1	0
olpadronic acid	[no description available]	medium	1	0
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
neocryptolepine	[no description available]	medium	1	0
1-hydroxypentane-1,1-bisphosphonate	[no description available]	medium	1	0
cimadronate	[no description available]	medium	1	0
1,1-hydroxyoctanodiphosphonate	[no description available]	medium	1	0
canaline	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
purvalanol a	[no description available]	medium	1	0	purvalanol
Tetrahydropiperine	[no description available]	medium	1	0	benzodioxoles
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
ilepcimide	[no description available]	medium	1	0	benzodioxoles
flunarizine	[no description available]	medium	1	0	diarylmethane
artemotil	[no description available]	medium	1	0	artemisinin derivative
alsterpaullone	[no description available]	medium	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine	[no description available]	medium	1	0	harmala alkaloid
licochalcone a	[no description available]	medium	1	0	chalcones
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
nifuroxime	[no description available]	medium	1	0
chlorproguanil	[no description available]	medium	1	0	dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide	[no description available]	medium	1	0
artenimol	[no description available]	medium	1	0
4-phenoxyphenoxyethyl thiocyanate	[no description available]	medium	1	0
deoxoartemisinin	[no description available]	medium	1	0
butyrolactone i	[no description available]	medium	1	0	butenolide
thiolactomycin	[no description available]	medium	1	0
3,4,5-trihydroxybenzamidoxime	[no description available]	medium	1	0	benzenetriol
ethylene dichloride	[no description available]	medium	2	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
ethylene glycol	[no description available]	medium	2	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
melatonin	[no description available]	medium	2	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	3	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
bithionol	[no description available]	medium	3	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
ciglitazone	[no description available]	medium	2	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cromolyn	[no description available]	medium	3	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fipexide	[no description available]	medium	3	0	benzodioxoles
fluspirilene	[no description available]	medium	3	0	diarylmethane
hycanthone	[no description available]	medium	3	0	thioxanthenes	mutagen; schistosomicide drug
isocarboxazid	[no description available]	medium	3	0	benzenes
meclofenamate sodium anhydrous	[no description available]	medium	4	0	organic sodium salt
memantine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
nocodazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
oxibendazole	[no description available]	medium	2	0	benzimidazoles; carbamate ester
pargyline	[no description available]	medium	2	0	aromatic amine
pioglitazone	[no description available]	medium	3	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
sulfabenzamide	[no description available]	medium	3	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
oxyphenonium	[no description available]	medium	2	0	acylcholine
isoproterenol hydrochloride	[no description available]	medium	2	0	catechols
promazine hydrochloride	[no description available]	medium	3	0	hydrochloride
2-acetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
isonicotinic acid	[no description available]	medium	2	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
promethazine hydrochloride	[no description available]	medium	3	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
acetylcholine chloride	[no description available]	medium	4	0	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	3	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
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
tromethamine	[no description available]	medium	6	0	primary amino compound; triol	buffer
rotenone	[no description available]	medium	2	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	3	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
2-bromophenol	[no description available]	medium	2	0	bromophenol	marine metabolite
3-dinitrobenzene	[no description available]	medium	1	0	dinitrobenzene	neurotoxin
pyridostigmine bromide	[no description available]	medium	3	0	pyridinium salt
4,4'-diaminodiphenylmethane	[no description available]	medium	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
bromobenzene	[no description available]	medium	2	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
imipramine hydrochloride	[no description available]	medium	3	0	hydrochloride	antidepressant
edrophonium chloride	[no description available]	medium	3	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	3	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	3	0	benzoate ester
diphenhydramine hydrochloride	[no description available]	medium	3	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	3	0
ethynodiol diacetate	[no description available]	medium	2	0	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
monocrotaline	[no description available]	medium	2	0	pyrrolizidine alkaloid
pseudoephedrine hydrochloride	[no description available]	medium	2	0	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
amitriptyline hydrochloride	[no description available]	medium	3	0	organic tricyclic compound
isoxsuprine hydrochloride	[no description available]	medium	3	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	3	0	hydrochloride
pregnenolone carbonitrile	[no description available]	medium	2	0	aliphatic nitrile
ibufenac	[no description available]	medium	3	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	0	polychlorinated dibenzodioxine
clonidine hydrochloride	[no description available]	medium	2	0	dichlorobenzene
ethylene dimethanesulfonate	[no description available]	medium	2	0
mexiletine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
metoclopramide hydrochloride	[no description available]	medium	3	0
carbendazim	[no description available]	medium	2	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
disopyramide phosphate	[no description available]	medium	2	0	organoammonium phosphate
moricizine hydrochloride	[no description available]	medium	3	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	3	0	hydrochloride	anti-arrhythmia drug
carbidopa	[no description available]	medium	2	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
flecainide acetate	[no description available]	medium	3	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	3	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	3	0
mitoxantrone hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
alpidem	[no description available]	medium	3	0	imidazoles
temafloxacin	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
tasosartan	[no description available]	medium	3	0	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	0	organic molecular entity
allyl formate	[no description available]	medium	2	0
bupropion hydrochloride	[no description available]	medium	2	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	3	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	3	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	3	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
dobutamine hydrochloride	[no description available]	medium	2	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	3	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	3	0
lomefloxacin hydrochloride	[no description available]	medium	2	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
flunoxaprofen	[no description available]	high	2	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	2	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
loperamide hydrochloride	[no description available]	medium	3	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	4	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	3	0
oxybutynin hydrochloride	[no description available]	medium	3	0	hydrochloride
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	0	secondary alcohol
cordium	[no description available]	medium	2	0	hydrate; hydrochloride
nsc-141549	[no description available]	medium	2	0
aflatoxin b1	[no description available]	medium	2	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
puromycin	[no description available]	medium	2	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
moxalactam disodium	[no description available]	medium	2	0
mometasone furoate	[no description available]	medium	2	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
nortriptyline hydrochloride	[no description available]	medium	3	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
calcium pantothenate	[no description available]	medium	2	0	polymer
maleic acid	[no description available]	medium	2	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
cyanoginosin lr	[no description available]	medium	2	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
arsenic trioxide	[no description available]	medium	3	0	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	0	anthracycline
carbenoxolone sodium	[no description available]	medium	2	0	triterpenoid
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	0	hydrochloride
retinol palmitate	[no description available]	medium	2	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
timolol maleate	[no description available]	medium	3	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	3	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	0	organic molecular entity
clemastine fumarate	[no description available]	medium	2	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	0	ergoline alkaloid	geroprotector
estradiol-17 beta-glucuronide	[no description available]	medium	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	3	0	organic molecular entity
octylmethoxycinnamate	[no description available]	medium	2	0	cinnamate ester
vinblastine sulfate	[no description available]	medium	3	0
trientine hydrochloride	[no description available]	medium	3	0
dextromethorphan hydrobromide	[no description available]	medium	2	0	hydrate; hydrobromide
fenoterol	[no description available]	medium	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
enclomiphene citrate	[no description available]	medium	1	0
diphenoxylate hydrochloride	[no description available]	medium	2	0	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	0	maleate salt	diagnostic agent; oxytocic
ursodoxicoltaurine	[no description available]	medium	2	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	3	0	organic sodium salt
penicillin g sodium	[no description available]	medium	2	0	organic sodium salt
cefamandole nafate	[no description available]	medium	3	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
chlortetracycline hydrochloride	[no description available]	medium	2	0
methacycline monohydrochloride	[no description available]	medium	2	0
minocycline hydrochloride	[no description available]	medium	2	0
demeclocycline hydrochloride	[no description available]	medium	3	0
citrovorum factor	[no description available]	medium	3	0	tetrahydrofolic acid
benzamide	[no description available]	medium	1	0	benzamides
mesoridazine	[no description available]	medium	3	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
lysergic acid diethylamide	[no description available]	medium	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
prenylamine	[no description available]	medium	1	0	diarylmethane
noxiptilin	[no description available]	medium	1	0	organic tricyclic compound
cloforex	[no description available]	medium	1	0	amphetamines
gentamicin c1	[no description available]	medium	1	0
5-hydroxydopamine	[no description available]	medium	1	0	catecholamine
l 694,458	[no description available]	medium	1	0
abt-770	[no description available]	medium	1	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	1	0
phthalic acid	[no description available]	medium	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
tryptamine	[no description available]	medium	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
dibucaine	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
flumequine	[no description available]	medium	3	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
difloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; Mycoplasma genitalium metabolite
sarafloxacin	[no description available]	medium	1	0	quinolines
orbifloxacin	[no description available]	medium	1	0	quinolines
marbofloxacin	[no description available]	medium	1	0	quinolines
enrofloxacin	[no description available]	medium	2	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
danofloxacin	[no description available]	medium	1	0	quinolines
1-benzylimidazole	[no description available]	medium	2	0
2-amino-5-bromobenzoic acid	[no description available]	medium	1	0
2-chloromandelic acid	[no description available]	medium	1	0
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
guanine	[no description available]	medium	2	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	1	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
tolrestat	[no description available]	medium	2	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
diltiazem hydrochloride	[no description available]	medium	2	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
cox 189	[no description available]	high	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
lapatinib	[no description available]	medium	2	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
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
indinavir sulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt
ampicillin sodium	[no description available]	medium	2	0	organic sodium salt
sudoxicam	[no description available]	medium	1	0
fenbufen	[no description available]	medium	5	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
flurazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
dansylsarcosine	[no description available]	medium	1	0
diclofenac sodium	[no description available]	medium	2	0	organic sodium salt
5-nitrosalicylic acid	[no description available]	medium	1	0	4-nitrophenols; monohydroxybenzoic acid
tetraiodothyroacetic acid	[no description available]	medium	1	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol	[no description available]	medium	2	0	dichlorobenzene; hydroxybiphenyls
resveratrol	[no description available]	medium	5	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
iododiflunisal	[no description available]	medium	12	0
gamma-aminobutyric acid	[no description available]	medium	4	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
beta-alanine	[no description available]	medium	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
formic acid	[no description available]	medium	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
histamine	[no description available]	medium	2	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
propionic acid	[no description available]	medium	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridoxamine	[no description available]	medium	1	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
trimethylamine	[no description available]	medium	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
2,4-dichlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
carbidopa	[no description available]	medium	1	0	benzenes; monocarboxylic acid
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
fendiline	[no description available]	medium	1	0	diarylmethane
mephentermine	[no description available]	medium	1	0	amphetamines
methoxyphenamine	[no description available]	medium	1	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
periciazine	[no description available]	medium	1	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
trimeprazine	[no description available]	medium	1	0	phenothiazines
aspartic acid	[no description available]	medium	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
tyrosine	[no description available]	medium	2	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
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
brompheniramine	[no description available]	medium	2	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
phenylpiperazine	[no description available]	medium	1	0
2-naphthoic acid	[no description available]	medium	1	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
mecoprop	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
deanol	[no description available]	medium	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
4-methylmorpholine	[no description available]	medium	1	0
n-butylamine	[no description available]	medium	1	0	primary aliphatic amine
piperidine	[no description available]	medium	1	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
morpholine	[no description available]	medium	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
hexahydroazepine	[no description available]	medium	1	0	azacycloalkane; azepanes; saturated organic heteromonocyclic parent
n-methylpyrrolidine	[no description available]	medium	1	0
triethylamine	[no description available]	medium	1	0	tertiary amine
chloroprocaine	[no description available]	medium	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
aziridine	[no description available]	medium	1	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
dibenzepin	[no description available]	medium	1	0	dibenzodiazepine
trifluoroethylamine	[no description available]	medium	1	0
2-fluoroethylamine	[no description available]	medium	1	0
arecaidine	[no description available]	medium	1	0	citraconoyl group
azetidine	[no description available]	medium	1	0	azacycloalkane; azetidines; saturated organic heteromonocyclic parent
gluconic acid	[no description available]	medium	1	0	gluconic acid	chelator; Penicillium metabolite
aminopenicillanic acid	[no description available]	medium	1	0	amino acid zwitterion; penicillanic acids	allergen
glycyl-glycyl-glycine	[no description available]	medium	1	0	tripeptide zwitterion; tripeptide
n,n-dimethylethylamine	[no description available]	medium	1	0
diethylmethylamine	[no description available]	medium	1	0
glycine ethyl ester	[no description available]	medium	1	0
n-methylpiperidine	[no description available]	medium	1	0
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
tempidon	[no description available]	medium	1	0	piperidones
clopyralid	[no description available]	medium	1	0	organochlorine pesticide; pyridines	herbicide
dimethylaminopropionitrile	[no description available]	medium	1	0
5-phenylvaleric acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid
pyrrolidine	[no description available]	medium	1	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
propamocarb	[no description available]	medium	1	0	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
phenyl-2-aminoethyl sulfide	[no description available]	medium	1	0
Flamprop	[no description available]	medium	1	0	benzamides
d-lactic acid	[no description available]	medium	1	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
thiamorpholine	[no description available]	medium	1	0	saturated organic heteromonocyclic parent; thiomorpholines
glycyl-glycyl-glycyl-glycine	[no description available]	medium	1	0
carazolol	[no description available]	medium	1	0	carbazoles
oleandomycin	[no description available]	medium	1	0	oleandomycins
phenylalanyl-phenylalanyl-phenylalanine	[no description available]	medium	1	0	oligopeptide
3-(4-methoxybenzoyl)propionic acid	[no description available]	medium	1	0
dimethylaminopropanol	[no description available]	medium	1	0
4-phenylbutylamine	[no description available]	medium	1	0	benzenes; phenylalkylamine; primary amino compound
glycinexylidide	[no description available]	medium	1	0	amino acid amide	drug metabolite
Trp-Trp	[no description available]	medium	1	0	dipeptide	Mycoplasma genitalium metabolite
kampirone	[no description available]	medium	1	0	N-arylpiperazine
isopelletierine	[no description available]	medium	1	0	citraconoyl group
fenpropimorph	[no description available]	medium	1	0	alkylbenzene
1-(2-pyridinyl)piperazine	[no description available]	medium	1	0
l-lactic acid	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
deramciclane	[no description available]	medium	1	0
aspartame	[no description available]	medium	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
norpseudoephedrine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
vinpocetine	[no description available]	medium	2	0	alkaloid	geroprotector
e-z cinnamic acid	[no description available]	medium	1	0	cinnamic acid	plant metabolite
sorbic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
doxepin hydrochloride	[no description available]	medium	1	0
4-methylumbelliferyl glucoside	[no description available]	medium	1	0	beta-D-glucoside; coumarins; monosaccharide derivative	chromogenic compound
tylosin	[no description available]	medium	1	0	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic
codeine phosphate	[no description available]	medium	1	0
dihydromorphine	[no description available]	medium	1	0	morphinane alkaloid
heroin	[no description available]	medium	1	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
1,2-dielaidoylphosphatidylethanolamine	[no description available]	medium	1	0
rosaramicin	[no description available]	medium	1	0	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
cefdinir	[no description available]	medium	2	0	cephalosporin; ketoxime	antibacterial drug
phenylalanylphenylalanine	[no description available]	medium	1	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride	[no description available]	medium	1	0
decanoylcarnitine	[no description available]	medium	1	0	decanoate ester; O-acylcarnitine	human urinary metabolite
glabridin	[no description available]	medium	1	0	hydroxyisoflavans	antiplasmodial drug
luteolin	[no description available]	medium	2	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
genistein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
sesamin	[no description available]	medium	1	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
matairesinol	[no description available]	medium	1	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
dihydroguaiaretic acid	[no description available]	medium	1	0
methyl caffeate	[no description available]	medium	1	0	alkyl caffeate ester; methyl ester
caffeic acid phenethyl ester	[no description available]	medium	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
1,1-dimethylallyl caffeic acid ester	[no description available]	medium	1	0	hydroxycinnamic acid
rosmarinic acid	[no description available]	medium	1	0	rosmarinic acid	geroprotector; plant metabolite
phenylethyl 3-methylcaffeate	[no description available]	medium	1	0
ethyl caffeate	[no description available]	medium	1	0	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite
2-Phenylethyl 3-phenyl-2-propenoate	[no description available]	medium	1	0	cinnamate ester
benzyl caffeate	[no description available]	medium	1	0
octyl caffeate	[no description available]	medium	1	0
2,3-bis(3'-hydroxybenzyl)butyrolactone, (trans)-isomer	[no description available]	medium	1	0
tolfenamic acid	[no description available]	medium	2	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
alaproclate	[no description available]	medium	1	0	alpha-amino acid ester
ambenonium	[no description available]	medium	1	0	quaternary ammonium ion	EC 3.1.1.8 (cholinesterase) inhibitor
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
bendroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bethanechol	[no description available]	medium	1	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
bisacodyl	[no description available]	medium	2	0	diarylmethane
secbutabarbital	[no description available]	medium	1	0	barbiturates
carbinoxamine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
cilostazol	[no description available]	medium	2	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cyclofenil	[no description available]	medium	1	0	organic molecular entity
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
ethotoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
fenoldopam	[no description available]	medium	1	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester	[no description available]	medium	1	0	benzenes
guanidine	[no description available]	medium	1	0	carboxamidine; guanidines; one-carbon compound
mecamylamine	[no description available]	medium	1	0	primary aliphatic amine
mepenzolate	[no description available]	medium	1	0	diarylmethane
methazolamide	[no description available]	medium	3	0	sulfonamide; thiadiazoles
methazolamide	[no description available]	medium	3	1	sulfonamide; thiadiazoles
methocarbamol	[no description available]	medium	2	0	aromatic ether; carbamate ester; secondary alcohol
nadolol	[no description available]	medium	1	0	tetralins
4-phenylbutyric acid	[no description available]	medium	2	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
duodote	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
propantheline	[no description available]	medium	1	0	xanthenes
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
salicylsalicylic acid	[no description available]	medium	3	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
trihexyphenidyl	[no description available]	medium	1	0	amine
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
tyramine	[no description available]	medium	2	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
zonisamide	[no description available]	medium	1	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
cysteine	[no description available]	medium	1	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
edetic acid	[no description available]	medium	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
mepazine	[no description available]	medium	1	0	phenothiazines
calcium acetate	[no description available]	medium	1	0	calcium salt	chelator
mebanazine	[no description available]	medium	1	0	benzenes
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
perflutren	[no description available]	medium	1	0	fluoroalkane; fluorocarbon
fluoxymesterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
methsuximide	[no description available]	medium	1	0	organic molecular entity
diethylpropion	[no description available]	medium	1	0	aromatic ketone; tertiary amine	appetite depressant
benzonatate	[no description available]	medium	1	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
4-hydroxybutyric acid	[no description available]	medium	1	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
dimenhydrinate	[no description available]	medium	1	0	diarylmethane
sulfanilylurea	[no description available]	medium	1	0	benzenes; sulfonamide
pamabrom	[no description available]	medium	1	0
diphenoxylate	[no description available]	medium	1	0	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
metaxalone	[no description available]	medium	1	0	aromatic ether
dexbrompheniramine	[no description available]	medium	1	0	brompheniramine	anti-allergic agent; H1-receptor antagonist
megestrol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
methenamine hippurate	[no description available]	medium	1	0	N-acylglycine
sodium thiosulfate	[no description available]	medium	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
fenclozic acid	[no description available]	medium	1	0
laxagetten 4,4'-diacetoxydiphenylpyridylemethane	[no description available]	medium	1	0
alclofenac	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fludrocortisone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid	adrenergic agent; anti-inflammatory drug
clometacin	[no description available]	medium	1	0	N-acylindole
carbidopa	[no description available]	medium	1	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
vecuronium	[no description available]	medium	1	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
exifone	[no description available]	medium	1	0	benzophenones
mefloquine	[no description available]	medium	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
nitazoxanide	[no description available]	medium	1	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
haloperidol decanoate	[no description available]	medium	1	0	organic molecular entity
balsalazide	[no description available]	medium	1	0
ranolazine	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
aromasil	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
tiludronic acid	[no description available]	medium	1	0	organochlorine compound
fenofibric acid	[no description available]	medium	2	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
tilbroquinol	[no description available]	medium	1	0	organohalogen compound; quinolines
ebrotidine	[no description available]	medium	1	0	sulfonamide
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine	[no description available]	medium	1	0	aminopyrimidine
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
nitrefazole	[no description available]	medium	1	0	imidazoles
doripenem	[no description available]	medium	1	0	carbapenems
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
fulvestrant	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
tadalafil	[no description available]	medium	1	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
paliperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
valdecoxib	[no description available]	medium	1	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	2	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
desvenlafaxine	[no description available]	medium	1	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
rufinamide	[no description available]	medium	1	0	aromatic amide; heteroarene
dexpanthenol	[no description available]	medium	1	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
fosamprenavir	[no description available]	medium	1	0	sulfonamide	prodrug
febuxostat	[no description available]	medium	2	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
10-propargyl-10-deazaaminopterin	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
pralnacasan	[no description available]	medium	1	0
dexmethylphenidate	[no description available]	medium	1	0	methyl phenyl(piperidin-2-yl)acetate	adrenergic agent
cinacalcet	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
lubiprostone	[no description available]	medium	1	0
telbivudine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	2	0	corticosteroid hormone
varenicline	[no description available]	medium	1	0
fiduxosin	[no description available]	medium	1	0
erlotinib	[no description available]	medium	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
etravirine	[no description available]	medium	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
dronedarone	[no description available]	medium	1	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
ramelteon	[no description available]	medium	1	0	indanes
darunavir	[no description available]	medium	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
sorafenib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
lenalidomide	[no description available]	medium	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
regadenoson	[no description available]	medium	1	0	purine nucleoside
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	medium	1	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
clindamycin phosphate	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
octreotide	[no description available]	medium	1	0
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
sr 90107	[no description available]	medium	1	0
meglumine iodipamide	[no description available]	medium	1	0	organoammonium salt	radioopaque medium
thyrotropin-releasing hormone	[no description available]	medium	1	0	peptide hormone; tripeptide	human metabolite
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
s 1033	[no description available]	medium	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
pyrantel	[no description available]	medium	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
ranitidine	[no description available]	medium	2	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
aplaviroc	[no description available]	medium	1	0
maraviroc	[no description available]	medium	1	0	tropane alkaloid
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
fospropofol	[no description available]	medium	1	0	alkylbenzene
rasagiline	[no description available]	medium	1	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
dasatinib	[no description available]	medium	2	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
hemabate	[no description available]	medium	1	0
ethamolin	[no description available]	medium	1	0	long-chain fatty acid
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
nabilone	[no description available]	medium	1	0
vitamin k 1	[no description available]	medium	2	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
trospium chloride	[no description available]	medium	1	0
benzphetamine	[no description available]	medium	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
deamino arginine vasopressin	[no description available]	medium	1	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
goserelin	[no description available]	medium	1	0	organic molecular entity
silodosin	[no description available]	medium	1	0	indolecarboxamide
su 11248	[no description available]	medium	1	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
verteporfin	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	2	0
pafuramidine	[no description available]	medium	1	0
pregabalin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
aliskiren	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
etonogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin
bibx 1382bs	[no description available]	medium	1	0	substituted aniline
fesoterodine	[no description available]	medium	1	0	diarylmethane
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
sincalide	[no description available]	medium	1	0	oligopeptide
tapentadol	[no description available]	medium	1	0	alkylbenzene
cefditoren	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
pazopanib	[no description available]	medium	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride	[no description available]	medium	1	0
bms 477118	[no description available]	medium	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide	[no description available]	medium	1	0
ganirelix	[no description available]	medium	1	0	polypeptide
teriparatide	[no description available]	medium	1	0	polypeptide
salmon calcitonin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide	[no description available]	medium	1	0	polypeptide
exenatide	[no description available]	medium	1	0
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
sodium iothalamate	[no description available]	medium	1	0
raltegravir	[no description available]	medium	1	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
tipranavir	[no description available]	medium	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
fertinex	[no description available]	medium	1	0
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
pemetrexed	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir	[no description available]	medium	1	0	L-valyl ester; purines	antiviral drug; prodrug
fosaprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug
levomefolate calcium	[no description available]	medium	1	0	organic calcium salt	antidepressant
9-xylosyladenine	[no description available]	medium	1	0	purine nucleoside
malic acid	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
naringenin	[no description available]	medium	1	0	4'-hydroxyflavanones; trihydroxyflavanone
pyrazinoic acid	[no description available]	medium	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
1,10-phenanthroline	[no description available]	medium	3	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2,2'-dipyridyl	[no description available]	medium	3	0	bipyridine	chelator; ferroptosis inhibitor
ro 5-4864	[no description available]	medium	1	0
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
5,8,11,14-eicosatetraynoic acid	[no description available]	medium	1	0	long-chain fatty acid
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
etofylline	[no description available]	medium	1	0	oxopurine
7-nitroindazole	[no description available]	medium	1	0
aa 861	[no description available]	medium	1	0	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
acetarsol	[no description available]	medium	1	0	acetamides; anilide
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
anisindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
bufexamac	[no description available]	medium	1	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
butacaine	[no description available]	medium	1	0	benzoate ester
butamben	[no description available]	medium	1	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
deferiprone	[no description available]	medium	1	0	4-pyridones	iron chelator; protective agent
dichlorophen	[no description available]	medium	2	0	bridged diphenyl fungicide; diarylmethane
dipropizine	[no description available]	medium	1	0	piperazines
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
ellipticine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
epirizole	[no description available]	medium	1	0	aromatic ether
myambutol	[no description available]	medium	1	0	amino alcohol
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fluorometholone	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
hexamethylene bisacetamide	[no description available]	medium	1	0	acetamides
ipriflavone	[no description available]	medium	1	0	aromatic ether; isoflavones	bone density conservation agent
ly 171883	[no description available]	medium	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
edaravone	[no description available]	medium	1	0	pyrazolone	antioxidant; radical scavenger
cm 7116	[no description available]	medium	1	0	benzodiazepine
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
proxyphylline	[no description available]	medium	1	0	oxopurine
pf 5901	[no description available]	medium	1	0	quinolines
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ronidazole	[no description available]	medium	1	0	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug
spiperone	[no description available]	medium	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
aldactazide	[no description available]	medium	1	0	steroid lactone
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
trapidil	[no description available]	medium	1	0	triazolopyrimidines
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
oxyphenonium bromide	[no description available]	medium	1	0
neostigmine methylsulfate	[no description available]	medium	1	0	arylammonium sulfate salt	EC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate	[no description available]	medium	1	0	corticosteroid hormone
pilocarpine hydrochloride	[no description available]	medium	1	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
benzyltrimethylammonium chloride	[no description available]	medium	1	0
tolazoline hydrochloride	[no description available]	medium	1	0	benzenes
papaverine hydrochloride	[no description available]	medium	1	0
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
9,10-phenanthrenequinone	[no description available]	medium	1	0	phenanthrenes
arsanilic acid	[no description available]	medium	1	0	organoarsonic acid
3-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid
thiodipropionic acid	[no description available]	medium	1	0	dicarboxylic acid
maltol	[no description available]	medium	1	0	4-pyranones	metabolite
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
protocatechualdehyde	[no description available]	medium	1	0	dihydroxybenzaldehyde
20-alpha-dihydroprogesterone	[no description available]	medium	1	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
fluocinonide	[no description available]	medium	1	0	organic molecular entity
fluorometholone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
xanthinol niacinate	[no description available]	medium	1	0
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
1,2-naphthoquinone	[no description available]	medium	1	0	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
4,4'-bipyridyl	[no description available]	medium	1	0	bipyridine
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
monoacetyldapsone	[no description available]	medium	1	0	acetamides; anilide; secondary carboxamide; sulfone
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene	[no description available]	medium	1	0	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen
aminacrine	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
2-hydroxyacetanilide	[no description available]	medium	1	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
clopamide	[no description available]	medium	1	0	sulfonamide
phosmet	[no description available]	medium	1	0	organic thiophosphate; organothiophosphate insecticide; phthalimides	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
malononitrile dimer	[no description available]	medium	1	0
diphenyl disulfide	[no description available]	medium	1	0	benzenes
tetramethylpyrazine	[no description available]	medium	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
2,2'-dipyridylamine	[no description available]	medium	1	0
flurandrenolone	[no description available]	medium	1	0	21-hydroxy steroid
diethylcarbamazine citrate	[no description available]	medium	1	0	piperazinecarboxamide
azacyclonol	[no description available]	medium	1	0	diarylmethane
guaiacoxyacetic acid	[no description available]	medium	1	0
methylene diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	bone density conservation agent; chelator
amiloride hydrochloride, anhydrous	[no description available]	medium	1	0	hydrochloride	diuretic; sodium channel blocker
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
hydrocortisone hemisuccinate	[no description available]	medium	1	0	dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone
antazoline hydrochloride	[no description available]	medium	1	0
mebeverine hydrochloride	[no description available]	medium	1	0
clidinium bromide	[no description available]	medium	1	0
diloxanide furoate	[no description available]	medium	1	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
nitroxoline	[no description available]	medium	1	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
alverine citrate	[no description available]	medium	1	0	citrate salt; organoammonium salt	antispasmodic drug; cholinergic antagonist
cyclogyl	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
6-nitroindazole	[no description available]	medium	1	0
hydrocortisone-17-butyrate	[no description available]	medium	1	0	butyrate ester; cortisol ester; primary alpha-hydroxy ketone	dermatologic drug; drug allergen
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
eedq	[no description available]	medium	1	0
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
tetridamin	[no description available]	medium	1	0
capobenic acid	[no description available]	medium	1	0	benzamides
thymolphthalein	[no description available]	medium	1	0	terpene lactone
clobetasol propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid	anti-inflammatory drug
frentizole	[no description available]	medium	1	0
eterobarb	[no description available]	medium	1	0	barbiturates
proroxan hydrochloride	[no description available]	medium	1	0
etomidate	[no description available]	medium	1	0	imidazoles
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
picobenzide	[no description available]	medium	1	0
triadimenol	[no description available]	medium	1	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
cerm-1978	[no description available]	medium	1	0	hydrochloride
dazoxiben hydrochloride	[no description available]	medium	1	0
tobramycin sulfate	[no description available]	medium	1	0
benzylaminopurine	[no description available]	medium	1	0	6-aminopurines	cytokinin; plant metabolite
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
norharman	[no description available]	medium	1	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
acetylcholine bromide	[no description available]	medium	1	0	bromide salt; quaternary ammonium salt
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
tryptamide	[no description available]	medium	1	0
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
oxyphencyclimine hydrochloride	[no description available]	medium	1	0	pyrimidines
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
diphenylpyraline hydrochloride	[no description available]	medium	1	0	hydrochloride	cholinergic antagonist; H1-receptor antagonist
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
mepivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; piperidinecarboxamide	local anaesthetic
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
diphenidol hydrochloride	[no description available]	medium	1	0	diarylmethane
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
edoxudin	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside
6-ketoestradiol	[no description available]	medium	1	0
17 beta-estradiol hemisuccinate	[no description available]	medium	1	0
amizyl	[no description available]	medium	1	0
salicylhydroxamic acid	[no description available]	medium	1	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
1,7-phenanthroline	[no description available]	medium	3	0	phenanthroline
3-fluoro-4-hydroxyphenylacetic acid	[no description available]	medium	1	0
dyclonine hydrochloride	[no description available]	medium	1	0	hydrochloride	topical anaesthetic
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
miconazole nitrate	[no description available]	medium	1	0
2,4-dimethoxybenzaldehyde	[no description available]	medium	1	0
clobetasone butyrate	[no description available]	medium	1	0	organic molecular entity
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
diflorasone diacetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid	anti-inflammatory drug; antipruritic drug
acecainide hydrochloride	[no description available]	medium	1	0
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
hydroxyzine dihydrochloride	[no description available]	medium	1	0
secnidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; secondary alcohol	epitope
ergocornine	[no description available]	medium	1	0	ergot alkaloid
pramoxine hydrochloride	[no description available]	medium	1	0	aromatic ether
butyrylcholine chloride	[no description available]	medium	1	0
chloropyramine hydrochloride	[no description available]	medium	1	0
6-aminoindazole	[no description available]	medium	1	0	indazoles
5-aminoindazole	[no description available]	medium	1	0
2-methylhippuric acid	[no description available]	medium	1	0	N-acylglycine	metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
meclizine hydrochloride	[no description available]	medium	1	0
malic acid, (r)-isomer	[no description available]	medium	1	0	malic acid
21-deoxycortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
estrone 3-methyl ether	[no description available]	medium	1	0
e-250	[no description available]	medium	1	0
rac-glycerol 1-monodecanoate	[no description available]	medium	1	0	rac-1-monoacylglycerol
nipecotic acid amide	[no description available]	medium	1	0	piperidinecarboxamide
levcromakalim	[no description available]	medium	1	0	1-benzopyran
tachistin	[no description available]	medium	1	0
cortisol octanoate	[no description available]	medium	1	0	corticosteroid hormone
armepavine	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
bicuculline methiodide	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	1	0	beta-carbolines
tryptoline	[no description available]	medium	1	0	beta-carbolines
gamma-fagarine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
Zearalanone	[no description available]	medium	1	0	macrolide; resorcinols
butethamate citrate	[no description available]	medium	1	0
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol	[no description available]	medium	1	0	piperidines
gallopamil hydrochloride	[no description available]	medium	1	0
1,3-dimethylbenzimidazoline-2-thione	[no description available]	medium	1	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
dichloro-1,2-diaminocyclohexane platinum complex	[no description available]	medium	1	0
1,4-di(2'-thienyl)-1,4-butadione	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
methyl 5-aminolevulinate hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
antazoline phosphate	[no description available]	medium	1	0
pridinol mesylate	[no description available]	medium	1	0
5-fluorotryptamine monohydrochloride	[no description available]	medium	1	0
piribedil mesylate	[no description available]	medium	1	0
serc	[no description available]	medium	1	0
procyclidine hydrochloride	[no description available]	medium	1	0	hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one	[no description available]	medium	1	0	macrolide
cortisone	[no description available]	medium	2	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
equilin	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid
adrenosterone	[no description available]	medium	1	0	11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite
gossypol acetic acid	[no description available]	medium	1	0
epinastine	[no description available]	medium	1	0	corticosteroid hormone
benzatropine methanesulfonate	[no description available]	medium	1	0
4',6-dihydroxy-5,7-dimethoxyflavone	[no description available]	medium	1	0	dihydroxyflavone; dimethoxyflavone
medrysone	[no description available]	medium	1	0	corticosteroid hormone
artisone acetate	[no description available]	medium	1	0	corticosteroid hormone
chondocurine (1beta)-(+-)-isomer	[no description available]	medium	1	0	aromatic ether
4-methoxyxanthone	[no description available]	medium	1	0
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide	[no description available]	medium	1	0	amine
ouabain	[no description available]	medium	1	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
mandelic acid, (s)-isomer	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; mandelic acid
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
acebutolol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
difluprednate	[no description available]	medium	1	0	butyrate ester; corticosteroid hormone
flumethasone pivalate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
dihydroergocristine monomesylate	[no description available]	medium	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
histidyl-proline diketopiperazine	[no description available]	medium	1	0	dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine	anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
ketoconazole	[no description available]	medium	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
maltitol	[no description available]	medium	1	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
chalcone	[no description available]	medium	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
thermospine	[no description available]	medium	1	0
dibenzylidene acetone	[no description available]	medium	1	0
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone	[no description available]	medium	1	0	cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester	[no description available]	medium	1	0	2-methoxyethyl ester; benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
haplamine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
diethylstilbestrol dipropionate	[no description available]	medium	1	0
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
glycerylphosphorylcholine	[no description available]	medium	1	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
nsc 4347	[no description available]	medium	1	0
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide	[no description available]	medium	1	0	benzamides
methamilane methiodide	[no description available]	medium	1	0
physostigmine salicylate	[no description available]	medium	1	0	azaheterocycle salicylate salt; salicylates
pilocarpine nitrate	[no description available]	medium	1	0
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid	[no description available]	medium	1	0	coumarins
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one	[no description available]	medium	1	0	benzoxazine
methylthiouracil	[no description available]	medium	1	0	pyrimidone
4-methoxy-N-(3-pyridinylmethyl)benzamide	[no description available]	medium	1	0	benzamides
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester	[no description available]	medium	1	0	coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide	[no description available]	medium	1	0	phthalimides
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid	[no description available]	medium	1	0	psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione	[no description available]	medium	1	0	pyrimidotriazine
curcumin	[no description available]	medium	1	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
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one	[no description available]	medium	1	0	pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester	[no description available]	medium	1	0	chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid	[no description available]	medium	1	0	coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone	[no description available]	medium	1	0	quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide	[no description available]	medium	1	0	quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide	[no description available]	medium	1	0	quinolines
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea	[no description available]	medium	1	0	benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine	[no description available]	medium	1	0	dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester	[no description available]	medium	1	0	flavones; tert-butyl ester
ethylenethiourea	[no description available]	medium	1	0	imidazolidines
p-aminosalicylic acid monosodium salt	[no description available]	medium	1	0	organic molecular entity
mecysteine hydrochloride	[no description available]	medium	1	0	alpha-amino acid ester
2-(2-furanyl)-4-thiazolidinecarboxylic acid	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
dihydrosamidine	[no description available]	medium	1	0
N-(2-methoxycyclohexyl)-3,4-dimethylaniline	[no description available]	medium	1	0	methylbenzene
eskazine	[no description available]	medium	1	0
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione	[no description available]	medium	1	0	methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester	[no description available]	medium	1	0	isopropyl ester; piperazines
zeranol	[no description available]	medium	1	0	macrolide
monooctanoin	[no description available]	medium	1	0	1-monoglyceride; octanoate ester; rac-1-monoacylglycerol
trimethoprim	[no description available]	medium	1	0
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid	[no description available]	medium	1	0	peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide	[no description available]	medium	1	0	dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one	[no description available]	medium	1	0	quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone	[no description available]	medium	1	0	aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide	[no description available]	medium	1	0	imidazolidines
Anthraniloyllycoctonine	[no description available]	medium	1	0	diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide	[no description available]	medium	1	0	aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid	[no description available]	medium	1	0	harmala alkaloid
biochanin a	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
prostaglandin b1	[no description available]	medium	1	0	prostaglandins B	human metabolite
prostaglandin f1	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
estriol 17-glucuronide	[no description available]	medium	1	0	steroid saponin
menatetrenone	[no description available]	medium	1	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
xylometazoline hydrochloride	[no description available]	medium	1	0
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
hydrocortisone valerate	[no description available]	medium	1	0	cortisol ester; glucocorticoid; primary alpha-hydroxy ketone; valerate ester
prostaglandin f2 methyl ester	[no description available]	medium	1	0	prostanoid
2-bromoergocryptine mesylate	[no description available]	medium	1	0
perhexiline maleate	[no description available]	medium	1	0
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
ethisterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	drug metabolite; progestin
desoximetasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
u-44619	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
nifuroxazide	[no description available]	medium	1	0	benzoic acids
rg 13022	[no description available]	medium	1	0
styrylquinoline	[no description available]	medium	1	0	2-styrylquinoline
kavain	[no description available]	medium	1	0	racemate	glycine receptor antagonist
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
trimebutine maleate salt	[no description available]	medium	1	0	trihydroxybenzoic acid
vincristine sulfate	[no description available]	medium	1	0
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one	[no description available]	medium	1	0	isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid	[no description available]	medium	1	0	peptide
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
phentolamine	[no description available]	medium	1	0
fendiline hydrochloride	[no description available]	medium	1	0
tiapridex	[no description available]	medium	1	0	benzamides
nab-365	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
dithiazanine iodide	[no description available]	medium	1	0	benzothiazoles; organic iodide salt	anthelminthic drug; fluorochrome
sinequan	[no description available]	medium	1	0	dibenzooxazepine
buflomedil hydrochloride	[no description available]	medium	1	0	aromatic ketone
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
fluphenazine	[no description available]	medium	1	0
homochlorocyclizine monohydrochloride	[no description available]	medium	1	0
butoxamine hydrochloride	[no description available]	medium	1	0
scopolamine hydrobromide	[no description available]	medium	1	0
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
emetine hydrochloride	[no description available]	medium	1	0
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
6 beta-hydroxycortisol	[no description available]	medium	1	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
androst-16-en-3-one	[no description available]	medium	1	0	3-oxo steroid; androstanoid	mammalian metabolite; pheromone
butaclamol hydrochloride	[no description available]	medium	1	0
dihydroouabain	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; radiosensitizing agent
LSM-6455	[no description available]	medium	1	0	peptide ergot alkaloid
estradiol 17-acetate	[no description available]	medium	1	0	steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione	[no description available]	medium	1	0	pyrrolidines
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine	[no description available]	medium	1	0	pyrazoles; ring assembly
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
penicillin g potassium	[no description available]	medium	1	0	organic potassium salt
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
cefoxitin sodium	[no description available]	medium	1	0	organic molecular entity
estrone sulfate, potassium salt	[no description available]	medium	1	0
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
naproxen sodium	[no description available]	medium	1	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
kf38789	[no description available]	medium	1	0
pralidoxime iodide	[no description available]	medium	1	0	organic iodide salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
pralidoxime chloride	[no description available]	medium	1	0	organic chloride salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
diphenyl	[no description available]	medium	1	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
4-nitrobiphenyl	[no description available]	medium	1	0	biphenyls
kc 400	[no description available]	medium	1	0	dichlorobenzene; tetrachlorobiphenyl
biphenyl-2-carboxylic acid	[no description available]	medium	1	0
2-phenoxybenzoic acid	[no description available]	medium	1	0	phenoxybenzoic acid
dihydroresveratrol	[no description available]	medium	1	0	stilbenol	plant metabolite; xenobiotic metabolite
4-hydroxystilbene	[no description available]	medium	1	0	stilben-4-ol
ns 1652	[no description available]	medium	1	0
tafamidis	[no description available]	medium	24	0	1,3-benzoxazoles; dichlorobenzene; monocarboxylic acid	central nervous system drug
tafamidis	[no description available]	medium	24	1	1,3-benzoxazoles; dichlorobenzene; monocarboxylic acid	central nervous system drug
glucagon-like peptide 1	[no description available]	medium	1	0
idarucizumab	[no description available]	medium	3	0
12-crown-4	[no description available]	medium	1	0	crown ether; saturated organic heteromonocyclic parent
18-crown-6	[no description available]	medium	1	0	crown ether; saturated organic heteromonocyclic parent	phase-transfer catalyst
15-crown-5	[no description available]	medium	1	0	crown ether; saturated organic heteromonocyclic parent
dicyclohexyl-18-crown-6	[no description available]	medium	1	0
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
amodiaquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
hippuric acid	[no description available]	medium	2	0	N-acylglycine	human blood serum metabolite; uremic toxin
D-tryptophan	[no description available]	medium	1	0	D-alpha-amino acid; tryptophan zwitterion; tryptophan	bacterial metabolite
2,4-diaminopyrimidine	[no description available]	medium	1	0	aminopyrimidine
4-aminobenzoylglutamic acid	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; N-acyl-L-alpha-amino acid; substituted aniline
1-methyltryptophan	[no description available]	medium	1	0	indolyl carboxylic acid
epigallocatechin gallate	[no description available]	medium	2	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
phloretin	[no description available]	medium	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
xanthohumol	[no description available]	medium	1	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
dipicolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	bacterial metabolite
purpurin	[no description available]	medium	1	0	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite
rhein	[no description available]	medium	1	0	dihydroxyanthraquinone
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
physcione	[no description available]	medium	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite
diacerein	[no description available]	medium	1	0	anthraquinone
9,10-anthraquinone 2-carboxylic acid	[no description available]	medium	1	0
gamma-mangostin	[no description available]	medium	1	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
nuclear fast red	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye
glycyrrhizic acid	[no description available]	medium	2	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
cetraxate	[no description available]	medium	1	0	benzenes; monocarboxylic acid
clofoctol	[no description available]	medium	1	0	diarylmethane
ifenprodil	[no description available]	medium	1	0	piperidines
irsogladine	[no description available]	medium	1	0	dichlorobenzene
triclabendazole	[no description available]	medium	1	0	aromatic ether
crizotinib	[no description available]	medium	1	0	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
benzoxazoles	[no description available]	medium	19	1	1,3-benzoxazoles; mancude organic heterobicyclic parent
palladium	[no description available]	medium	1	0	metal allergen; nickel group element atom; platinum group metal atom
chitosan	[no description available]	medium	3	0
gallium	[no description available]	medium	2	0	boron group element atom
oligonucleotides	[no description available]	medium	6	0
muramidase	[no description available]	medium	1	0
kynurenine	[no description available]	medium	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
nad	[no description available]	medium	1	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cardiovascular agents	[no description available]	medium	1	0
triazoles	[no description available]	medium	2	0	1,2,3-triazole
lesinurad	[no description available]	medium	1	0	aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles	uricosuric drug
betadex	[no description available]	medium	6	0	cyclodextrin
salicylates	[no description available]	medium	217	77	monohydroxybenzoate	plant metabolite
chlorine	[no description available]	medium	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
thiosemicarbazide	[no description available]	medium	1	0	hydrazines; thiocarboxamide; thioureas
2,6-difluorobenzoic acid	[no description available]	medium	1	0
fluorine	[no description available]	medium	3	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
cobalt	[no description available]	medium	2	0	cobalt group element atom; metal allergen	micronutrient
lysine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tramadol	[no description available]	medium	1	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
amyloid beta-peptides	[no description available]	medium	1	0
bismuth	[no description available]	medium	1	0	metal atom; pnictogen
sodium salicylate	[no description available]	medium	5	0	organic molecular entity
valine	[no description available]	medium	2	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
3-iodobenzylguanidine	[no description available]	medium	1	0	organoiodine compound
ng-nitroarginine methyl ester	[no description available]	medium	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
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
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	2	0
alpha-aminopyridine	[no description available]	medium	2	0
tetrabromobisphenol a	[no description available]	medium	1	0	brominated flame retardant; bromobisphenol
acetyl coenzyme a	[no description available]	medium	2	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	1	0
hydroxyl radical	[no description available]	medium	2	0	oxygen hydride; oxygen radical; reactive oxygen species
nickel chloride	[no description available]	medium	1	0	nickel coordination entity	calcium channel blocker; hapten
ethidium	[no description available]	medium	3	0	phenanthridines	fluorochrome; intercalator
nickel	[no description available]	medium	1	0	metal allergen; nickel group element atom	epitope; micronutrient
dimyristoylphosphatidylcholine	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
iodine	[no description available]	medium	2	0	diatomic iodine	nutrient
methylcellulose	[no description available]	medium	1	0
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
phosphorus	[no description available]	medium	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
organophosphonates	[no description available]	medium	1	0	divalent inorganic anion; phosphite ion
dimethyl 2,3,5,6-tetrachloroterephthalate	[no description available]	medium	1	0	diester; methyl ester
stilbenes	[no description available]	medium	2	0	stilbene
acrylic acid	[no description available]	medium	3	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
cellulose	[no description available]	medium	1	0	glycoside
n-vinyl-2-pyrrolidinone	[no description available]	medium	2	0	pyrrolidin-2-ones
eudragit rs	[no description available]	medium	3	0
cyclosporine	[no description available]	medium	1	0
aluminum	[no description available]	medium	1	0	boron group element atom; elemental aluminium; metal atom
zeolites	[no description available]	medium	1	0
ammonium sulfate	[no description available]	medium	1	0	ammonium salt; inorganic sulfate salt	fertilizer
17-n,n-diethylcarbamoyl-4-methyl-4-azaandrostane-3-one	[no description available]	medium	1	0
phenyllithium	[no description available]	medium	1	0
ammonium peroxydisulfate	[no description available]	medium	1	0
3-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	bacterial metabolite; plant metabolite
thiazoles	[no description available]	medium	1	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
methacrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid
1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane	[no description available]	medium	1	0
r-1-(6-(r-2-carboxypyrrolidin-1-yl)-6-oxohexanoyl)pyrrolidine-2-carboxylic acid	[no description available]	medium	1	0
chromium	[no description available]	medium	1	0	chromium group element atom; metal allergen	micronutrient
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
indican	[no description available]	medium	1	0	beta-D-glucoside; exopolysaccharide; indolyl carbohydrate
boranes	[no description available]	medium	1	0	boranes; mononuclear parent hydride
fluorescein-5-isothiocyanate	[no description available]	medium	1	0	fluorescein isothiocyanate
cysteine	[no description available]	medium	1	0	cysteinium	fundamental metabolite
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
kaolinite	[no description available]	medium	1	1	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
beta-escin	[no description available]	medium	1	0	triterpenoid saponin
gold	[no description available]	medium	1	0	copper group element atom; elemental gold
feprazone	[no description available]	medium	1	0	organic molecular entity
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
diflunisal glucuronide ether	[no description available]	medium	6	0
diflunisal glucuronide ester	[no description available]	medium	11	0
uric acid	[no description available]	medium	7	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
ent-dextilidine	[no description available]	medium	1	0	ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
adenosine diphosphate	[no description available]	medium	3	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
solpadeine	[no description available]	medium	1	0
malondialdehyde	[no description available]	medium	2	2	dialdehyde	biomarker
alpha-chymotrypsin	[no description available]	medium	1	1
indobufen	[no description available]	medium	1	0	isoindoles
thromboxane b2	[no description available]	medium	2	0	thromboxanes B	human metabolite; mouse metabolite
thromboxanes	[no description available]	medium	1	0
hydrogen carbonate	[no description available]	medium	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
potassium permanganate	[no description available]	medium	2	0
fenclofenac	[no description available]	medium	3	0	aromatic ether
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid	[no description available]	medium	1	0	dicarboxylic acid; furoic acid	human metabolite; uremic toxin
saccharolactone	[no description available]	medium	3	0	aldarolactone; delta-lactone
glucaric acid	[no description available]	medium	3	0	glucaric acid	antineoplastic agent
nitrophenols	[no description available]	medium	1	0
hydrocortisone 21-butyrate	[no description available]	medium	1	0
pyrethrins	[no description available]	medium	1	0
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
thromboxane a2	[no description available]	medium	1	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
nitroblue tetrazolium	[no description available]	medium	1	0	organic cation
alphaxalone	[no description available]	medium	1	0	11-oxo steroid
lignans	[no description available]	medium	1	0
picrotoxin	[no description available]	medium	1	0
honokiol	[no description available]	medium	1	0	biphenyls
magnolol	[no description available]	medium	1	0	biphenyls
muscimol	[no description available]	medium	1	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
8-chlorotheophylline	[no description available]	medium	1	0	organochlorine compound; purines	central nervous system stimulant
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
1,2-dipalmitoylphosphatidylcholine	[no description available]	medium	2	0
thymidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
technetium	[no description available]	medium	1	0	manganese group element atom
uridine diphosphate glucose	[no description available]	medium	1	0	UDP-D-glucose	fundamental metabolite
chloroquine diphosphate	[no description available]	medium	1	0
ether	[no description available]	medium	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
pregnenolone sulfate	[no description available]	medium	1	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
dehydroepiandrosterone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
sulindac sulfide	[no description available]	high	1	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
glycogen	[no description available]	medium	1	0
litalgin	[no description available]	medium	1	1
tetraphenylphosphonium	[no description available]	medium	1	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
methylglucoside	[no description available]	medium	1	0
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
oligomycins	[no description available]	medium	1	0
strontium	[no description available]	medium	1	0	alkaline earth metal atom
ethylmorphine	[no description available]	medium	1	1	morphinane alkaloid
ribose	[no description available]	medium	1	0	D-ribose; ribopyranose
xanthine	[no description available]	medium	1	0	xanthine	Saccharomyces cerevisiae metabolite
pentazocine	[no description available]	medium	1	0	benzazocine
oxazepam glucuronide	[no description available]	medium	1	0	glucosiduronic acid
orpanoxin	[no description available]	medium	1	0
croton oil	[no description available]	medium	1	0	N-acyl-hexosamine
fusarium	[no description available]	medium	1	0
trolamine salicylate	[no description available]	medium	6	1
alminoprofen	[no description available]	low	0	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
amfenac	[no description available]	low	0	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ampyrone	[no description available]	low	0	0	primary amino compound; pyrazolone	antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
ampiroxicam	[no description available]	low	0	0	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
acetovanillone	[no description available]	low	0	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
propyphenazone	[no description available]	low	0	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
kebuzone	[no description available]	low	0	0	methyl ketone; pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
loxoprofen	[no description available]	low	0	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
metiazinic acid	[no description available]	low	0	0	phenothiazines	drug allergen; non-steroidal anti-inflammatory drug
proglumetacin	[no description available]	low	0	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
suxibuzone	[no description available]	low	0	0	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug
noramidopyrine	[no description available]	low	0	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
2-methoxybenzoic acid	[no description available]	low	0	0	methoxybenzoic acid	flavouring agent; non-steroidal anti-inflammatory drug
mofebutazone	[no description available]	low	0	0	pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bumadizone	[no description available]	low	0	0	carbohydrazide; monocarboxylic acid	antipyretic; non-steroidal anti-inflammatory drug
oxamethacin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin	[no description available]	medium	0	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin meglumine	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fendosal	[no description available]	medium	0	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tepoxalin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen calcium	[no description available]	low	0	0	hydrate	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
baicalin	[no description available]	low	0	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
ibuproxam	[no description available]	low	0	0	hydroxamic acid	iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lonazolac	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
miroprofen	[no description available]	low	0	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
corilagin	[no description available]	low	0	0	ellagitannin; gallate ester	antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
nitroflurbiprofen	[no description available]	medium	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
parecoxib	[no description available]	low	0	0	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
garenoxacin	[no description available]	medium	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cimicoxib	[no description available]	medium	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicin	[no description available]	low	0	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
naproxol	[no description available]	low	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deracoxib	[no description available]	medium	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
sc 560	[no description available]	medium	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
apigetrin	[no description available]	low	0	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
caryophyllene	[no description available]	low	0	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
rosmarinic acid	[no description available]	low	0	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
bay 11-7082	[no description available]	low	0	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
robenacoxib	[no description available]	medium	0	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parthenolide	[no description available]	low	0	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	medium	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate	[no description available]	low	0	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
apremilast	[no description available]	low	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
sodium bromfenac	[no description available]	low	0	0	hydrate	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tofisopam	[no description available]	low	0	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
meclofenamate sodium anhydrous	[no description available]	low	0	0	hydrate	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
tolmetin sodium	[no description available]	low	0	0	hydrate; organic sodium salt	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	[no description available]	medium	0	0	organofluorine compound	non-steroidal anti-inflammatory drug
teriflunomide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor
2-thiosalicylic acid	[no description available]	low	0	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
dihydroergotamine mesylate	[no description available]	low	0	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
tetrahydropalmatine	[no description available]	low	0	0	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
friedelin	[no description available]	low	0	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
benefin	[no description available]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
cgs 12066	[no description available]	low	0	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
fludiazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound; organofluorine compound	anxiolytic drug
vanoxerine	[no description available]	low	0	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
pipamperone	[no description available]	low	0	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
sb 220025	[no description available]	low	0	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 202190	[no description available]	low	0	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
fluoroacetic acid	[no description available]	low	0	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
tosufloxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound
zardaverine	[no description available]	low	0	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
dinitrofluorobenzene	[no description available]	low	0	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
1,1-difluoroethylene	[no description available]	low	0	0	olefinic compound; organofluorine compound
1,1,1-trifluoro-2-chloroethane	[no description available]	low	0	0	organofluorine compound
chloropentafluoroethane	[no description available]	low	0	0	organochlorine compound; organofluorine compound
2-fluoroadenosine	[no description available]	low	0	0	adenosines; organofluorine compound
perfluorotributylamine	[no description available]	low	0	0	organofluorine compound	blood substitute; greenhouse gas; solvent
5-fluorouridine	[no description available]	low	0	0	organofluorine compound; uridines	mutagen
5-fluorotryptophan	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative
bromochlorodifluoromethane	[no description available]	low	0	0	one-carbon compound; organobromine compound; organochlorine compound; organofluorine compound
difluoroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organofluorine compound
fluroxene	[no description available]	low	0	0	organofluorine compound
2,3,4,5,6-pentafluorobenzyl alcohol	[no description available]	low	0	0	benzyl alcohols; organofluorine compound
2-fluoroadenine	[no description available]	low	0	0	organofluorine compound; purines	antineoplastic agent
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide	[no description available]	low	0	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	antifungal agrochemical; genotoxin
dichlofluanid	[no description available]	low	0	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical
5-fluorocytidine	[no description available]	low	0	0	cytidines; organofluorine compound
flubendazole	[no description available]	low	0	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
triflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
haloxyfop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
fluazifop-butyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
fomesafen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
sertindole	[no description available]	low	0	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
gemcitabine hydrochloride	[no description available]	low	0	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
4-fluorofentanyl	[no description available]	low	0	0	monocarboxylic acid amide; organofluorine compound; piperidines
heptafluorobutyric anhydride	[no description available]	low	0	0	acyclic carboxylic anhydride; organofluorine compound	chromatographic reagent
perfluorotripropylamine	[no description available]	low	0	0	organofluorine compound	blood substitute
3-fluoropyruvate	[no description available]	low	0	0	2-oxo monocarboxylic acid; organofluorine compound
spiramide	[no description available]	low	0	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
halopropane	[no description available]	low	0	0	organofluorine compound
flurithromycin	[no description available]	low	0	0	cyclic ketone; erythromycin derivative; organofluorine compound; semisynthetic derivative	antibacterial drug
fluphenacur	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
nucleocidin	[no description available]	low	0	0	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug
fluoroacetaldehyde	[no description available]	low	0	0	aldehyde; organofluorine compound	cardiotoxic agent
fc 75	[no description available]	low	0	0	alkyltetrahydrofuran; organofluorine compound
tetraconazole	[no description available]	low	0	0	dichlorobenzene; ether; organofluorine compound; triazoles
hei 712	[no description available]	low	0	0	organofluorine compound; quinolone
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide	[no description available]	low	0	0	dichlorobenzene; organofluorine compound; sulfonamide; triazoles	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
thifluzamide	[no description available]	low	0	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fludioxonil	[no description available]	low	0	0	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
fluquinconazole	[no description available]	low	0	0	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
cloransulam-methyl	[no description available]	low	0	0	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
fluazifop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
dithiopyr	[no description available]	low	0	0	organofluorine compound; pyridines; thioester
s 53482	[no description available]	low	0	0	benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent
clodinafop-propargyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
novaluron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
cyfluthrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	[no description available]	low	0	0	organofluorine compound
florfenicol	[no description available]	low	0	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
5-fluoromethylornithine	[no description available]	low	0	0	organofluorine compound; ornithine derivative	EC 2.6.1.13 (ornithine aminotransferase) inhibitor
5-fluorowillardiine	[no description available]	low	0	0	L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound	AMPA receptor agonist
perfluoro-n-methyldecahydroisoquinoline	[no description available]	low	0	0	organofluorine compound	blood substitute
fc 80	[no description available]	low	0	0	alkyltetrahydrofuran; organofluorine compound
5-fluorouridine 5'-phosphate	[no description available]	low	0	0	organofluorine compound; pyrimidine ribonucleoside 5'-monophosphate	drug metabolite
canertinib	[no description available]	low	0	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
jte 522	[no description available]	low	0	0	1,3-oxazoles; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor
trifluoromethionine	[no description available]	low	0	0	L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound
diflomotecan	[no description available]	low	0	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
5',5',5'-trifluoroleucine	[no description available]	low	0	0	leucine derivative; non-proteinogenic alpha-amino acid; organofluorine compound
sorbinil	[no description available]	low	0	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
2'-deoxy-2-fluoroadenosine	[no description available]	low	0	0	adenosines; organofluorine compound
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
roflumilast	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
efinaconazole	[no description available]	low	0	0	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
favipiravir	[no description available]	low	0	0	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
ck-0944666	[no description available]	low	0	0	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one	[no description available]	low	0	0	organofluorine compound
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid	[no description available]	low	0	0	organofluorine compound
transfluthrin	[no description available]	low	0	0	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide
4-(4-fluorophenyl)-3H-thiazole-2-thione	[no description available]	low	0	0	organofluorine compound
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole	[no description available]	low	0	0	organofluorine compound
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide	[no description available]	low	0	0	organofluorine compound
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea	[no description available]	low	0	0	organofluorine compound
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone	[no description available]	low	0	0	organofluorine compound
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester	[no description available]	low	0	0	organofluorine compound
N-(4-fluorobenzyl)urea	[no description available]	low	0	0	organofluorine compound
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide	[no description available]	low	0	0	organofluorine compound
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	[no description available]	low	0	0	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate	[no description available]	low	0	0	acetylenic compound; furans; organofluorine compound; thioester; triazoles
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	organofluorine compound
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester	[no description available]	low	0	0	organofluorine compound
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide	[no description available]	low	0	0	organofluorine compound
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester	[no description available]	low	0	0	organofluorine compound
1-[(2-fluorophenyl)methyl]-4-pyrazolamine	[no description available]	low	0	0	organofluorine compound
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea	[no description available]	low	0	0	organofluorine compound
ro 60-0175	[no description available]	low	0	0	indoles; organochlorine compound; organofluorine compound; primary amino compound
jtk-303	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
arachidonyltrifluoromethane	[no description available]	low	0	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
cyhalothrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
bw b70c	[no description available]	low	0	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
clodinafop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	[no description available]	low	0	0	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
z-val-ala-asp(ome)-fluoromethylketone	[no description available]	low	0	0	carbamate ester; organofluorine compound; tripeptide	apoptosis inhibitor; protease inhibitor
acrinathrin	[no description available]	low	0	0	cyclopropanecarboxylate ester; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
bifenthrin	[no description available]	low	0	0	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
netupitant	[no description available]	low	0	0	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist
flibanserin	[no description available]	low	0	0	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
nepicastat	[no description available]	low	0	0	1,3-dihydroimidazole-2-thiones; organofluorine compound; primary amino compound; tetralins	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor
gw 501516	[no description available]	low	0	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
noviflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound
flonicamid	[no description available]	low	0	0	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic
paliperidone palmitate	[no description available]	low	0	0	1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine
cangrelor	[no description available]	low	0	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
tafluprost	[no description available]	low	0	0	isopropyl ester; organofluorine compound; prostaglandins Falpha	prostaglandin receptor agonist
ticagrelor	[no description available]	low	0	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
am 694	[no description available]	low	0	0	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist
rucaparib	[no description available]	low	0	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
NNC 55-0396 (free base)	[no description available]	low	0	0	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
osu 03012	[no description available]	low	0	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
vorapaxar	[no description available]	low	0	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
rolapitant	[no description available]	low	0	0	azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones	antiemetic; neurokinin-1 receptor antagonist
r-138727	[no description available]	low	0	0	organofluorine compound
fluoxastrobin	[no description available]	low	0	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
flumorph	[no description available]	low	0	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide
fluopicolide	[no description available]	low	0	0	benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound	antifungal agrochemical
gamendazole	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound	antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive
tedizolid	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor
rx-3117	[no description available]	low	0	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
picoxystrobin	[no description available]	low	0	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
bay 63-2521	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator
penthiopyrad	[no description available]	low	0	0	aromatic amide; organofluorine compound; pyrazoles; thiophenes
tedizolid phosphate	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor
tavaborole	[no description available]	low	0	0	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib	[no description available]	low	0	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zstk474	[no description available]	low	0	0	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trifloxystrobin	[no description available]	low	0	0	methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; organofluorine compound; pyrazoles
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly
trametinib	[no description available]	low	0	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
butafenacil	[no description available]	low	0	0	benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
bgt226	[no description available]	low	0	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
buparlisib	[no description available]	low	0	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
lumacaftor	[no description available]	low	0	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
ro5126766	[no description available]	low	0	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfoxaflor	[no description available]	low	0	0	nitrile; organofluorine compound; pyridines; sulfoximide
azd 7545	[no description available]	low	0	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
ph 797804	[no description available]	low	0	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
dafadine D	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor
canagliflozin	[no description available]	low	0	0	C-glycosyl compound; organofluorine compound; thiophenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
florbetapir f 18	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
dcc-2036	[no description available]	low	0	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib	[no description available]	low	0	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
pexidartinib	[no description available]	low	0	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580	[no description available]	low	0	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
dabrafenib	[no description available]	low	0	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
sofosbuvir	[no description available]	low	0	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
torin 1	[no description available]	low	0	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
ro 4929097	[no description available]	low	0	0	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor
torin 2	[no description available]	low	0	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
gsk2656157	[no description available]	low	0	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles
vericiguat	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
pacific blue succinimidyl ester	[no description available]	low	0	0	hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound	fluorochrome
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene
oxathiapiprolin	[no description available]	low	0	0	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione	[no description available]	low	0	0	halophenol; organofluorine compound
LimKi 3	[no description available]	low	0	0	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor
ledipasvir	[no description available]	low	0	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
ivosidenib	[no description available]	low	0	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
as 1842856	[no description available]	low	0	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
enasidenib	[no description available]	low	0	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
MMP-9-IN-1	[no description available]	low	0	0	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine	[no description available]	low	0	0	organofluorine compound
nirmatrelvir	[no description available]	low	0	0	azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
3-hydroxyanthranilic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
aurintricarboxylic acid	[no description available]	low	0	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
vanillic acid	[no description available]	low	0	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
6-methylsalicylic acid	[no description available]	low	0	0	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite
3,5-dinitrosalicylic acid	[no description available]	low	0	0	C-nitro compound; monohydroxybenzoic acid	hapten
isovanillic acid	[no description available]	low	0	0	methoxybenzoic acid; monohydroxybenzoic acid	antibacterial agent; plant metabolite
3-amino-4-hydroxybenzoic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid
4-methyl-3-hydroxyanthranilic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid	bacterial metabolite
3-amino-5-hydroxybenzoic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid
nsc 74859	[no description available]	low	0	0	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor
lasalocid	[no description available]	low	0	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
avenanthramide b	[no description available]	low	0	0	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin
(+)-(7S)-sydonic acid	[no description available]	low	0	0	aromatic alcohol; monohydroxybenzoic acid; sesquiterpenoid	Aspergillus metabolite

Article	Year
Fibrinolytic activity after administration of diflunisal and aspirin. A double-blind, randomized, placebo-controlled clinical trial. Haemostasis, Volume: 13, Issue: 6	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Transthyretin stability is critical in assisting beta amyloid clearance- Relevance of transthyretin stabilization in Alzheimer's disease. CNS neuroscience & therapeutics, Volume: 23, Issue: 7	2017
Transthyretin stabilization by iododiflunisal promotes amyloid-β peptide clearance, decreases its deposition, and ameliorates cognitive deficits in an Alzheimer's disease mouse model. Journal of Alzheimer's disease : JAD, Volume: 39, Issue: 2	2014
Self-organizing molecular field analysis of NSAIDs: assessment of pharmacokinetic and physicochemical properties using 3D-QSPkR approach. European journal of medicinal chemistry, Volume: 53	2012
First-principle, structure-based prediction of hepatic metabolic clearance values in human. European journal of medicinal chemistry, Volume: 44, Issue: 4	2009
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7	2008
High-performance liquid chromatographic analysis of diflunisal in plasma and urine: application to pharmacokinetic studies in two normal volunteers. Journal of pharmaceutical sciences, Volume: 72, Issue: 12	1983
Dose-dependent pharmacokinetics of diflunisal in rats: dual effects of protein binding and metabolism. The Journal of pharmacology and experimental therapeutics, Volume: 235, Issue: 2	1985
The influence of diflunisal on the pharmacokinetics of oxazepam. British journal of clinical pharmacology, Volume: 20, Issue: 3	1985
Possible mechanisms for reduced plasma clearance of diflunisal in rat experimental renal failure. The Journal of pharmacology and experimental therapeutics, Volume: 238, Issue: 3	1986
Evaluation of the teratogenicity and pharmacokinetics of diflunisal in cynomolgus monkeys. Fundamental and applied toxicology : official journal of the Society of Toxicology, Volume: 8, Issue: 1	1987
Diflunisal pharmacodynamics in experimental arthritis in rats. The Journal of rheumatology, Volume: 15, Issue: 11	1988
Pharmacokinetic interaction between indomethacin and diflunisal. European journal of clinical pharmacology, Volume: 36, Issue: 5	1989
Influence of renal failure, rheumatoid arthritis and old age on the pharmacokinetics of diflunisal. European journal of clinical pharmacology, Volume: 36, Issue: 2	1989
Pharmacokinetics of diflunisal in patients. Clinical pharmacokinetics, Volume: 20, Issue: 1	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Binary inclusion complexes of diflunisal with β-cyclodextrin and hydroxypropyl-β-cyclodextrin: Preparation and characterization. Pakistan journal of pharmaceutical sciences, Volume: 33, Issue: 5(Suppleme	2020
Solid phase drug-drug pharmaceutical co-crystal formed between pyrazinamide and diflunisal: Structural characterization based on terahertz/Raman spectroscopy combining with DFT calculation. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Jun-15, Volume: 234	2020
Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design. Journal of medicinal chemistry, 02-27, Volume: 63, Issue: 4	2020
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
Comparative in vitro dissolution and in vivo bioavailability of diflunisal/naproxen fixed-dose combination tablets and concomitant administration of diflunisal and naproxen in healthy adult subjects. Drug research, Volume: 63, Issue: 3	2013
Hologram QSAR model for the prediction of human oral bioavailability. Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue: 24	2007
Transdermal delivery of nonsteroidal anti-inflammatory drugs mediated by polyamidoamine (PAMAM) dendrimers. Journal of pharmaceutical sciences, Volume: 96, Issue: 3	2007
QSAR model for drug human oral bioavailability. Journal of medicinal chemistry, Jun-29, Volume: 43, Issue: 13	2000
A hydrogel based on a polyaspartamide: characterization and evaluation of in-vivo biocompatibility and drug release in the rat. The Journal of pharmacy and pharmacology, Volume: 49, Issue: 11	1997
No effect of albumin on the dermal absorption rate of hydrocortisone 21-butyrate, permethrin or diflunisal in the isolated, single-pass perfused rabbit ear. Skin pharmacology : the official journal of the Skin Pharmacology Society, Volume: 9, Issue: 5	1996
Effect of antacids on the bioavailability of diflunisal in the fasting and postprandial states. Clinical pharmacology and therapeutics, Volume: 30, Issue: 3	1981
Structural damage and changes in eicosanoid metabolites in the gastric mucosa of rats and pigs induced by anti-inflammatory drugs of varying ulcerogenicity. International journal of tissue reactions, Volume: 8, Issue: 1	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Characterising diflunisal as a transthyretin kinetic stabilizer at relevant concentrations in human plasma using subunit exchange. Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis, Volume: 30, Issue: 2	2023
Separation and Determination of Diflunisal and its Impurity by Two Chromatographic Methods: TLC-Densitometry and HPLC. Journal of AOAC International, Dec-11, Volume: 104, Issue: 6	2021
Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators. Journal of medicinal chemistry, 05-23, Volume: 62, Issue: 10	2019
Comparative in vitro dissolution and in vivo bioavailability of diflunisal/naproxen fixed-dose combination tablets and concomitant administration of diflunisal and naproxen in healthy adult subjects. Drug research, Volume: 63, Issue: 3	2013
Cyclodextrin-crosslinked poly(acrylic acid): adhesion and controlled release of diflunisal and fluconazole from solid dosage forms. AAPS PharmSciTech, Volume: 14, Issue: 1	2013
2D solid-state NMR analysis of inclusion in drug-cyclodextrin complexes. Molecular pharmaceutics, Nov-05, Volume: 9, Issue: 11	2012
Single dose oral diflunisal for acute postoperative pain in adults. The Cochrane database of systematic reviews, Apr-14, Issue: 4	2010
In vitro drug interaction between diflunisal and indomethacin via glucuronidation in humans. Biopharmaceutics & drug disposition, Volume: 27, Issue: 6	2006
[Determination of diflunisal in plasma by RP-HPLC after solid-liquid extraction]. Yao xue xue bao = Acta pharmaceutica Sinica, Volume: 33, Issue: 4	1998
Rearrangement of diflunisal acyl glucuronide into its beta-glucuronidase-resistant isomers facilitates transport through the small intestine to the colon of the rat. Life sciences, Nov-21, Volume: 70, Issue: 1	2001
Steady-state dispositions of valproate and diflunisal alone and coadministered to healthy volunteers. European journal of clinical pharmacology, Volume: 56, Issue: 9-10	2000
Simultaneous determination of some multicomponent dosage forms by quantitative thin layer chromatography densitometric method. Journal of pharmaceutical and biomedical analysis, Volume: 20, Issue: 4	1999
A comparison of two nonsteroidal antiinflammatory drugs (diflunisal versus dipyrone) in the treatment of moderate to severe cancer pain: a randomized crossover study. American journal of clinical oncology, Volume: 21, Issue: 2	1998
Disposition and covalent binding of diflunisal and diflunisal acyl glucuronide in the isolated perfused rat liver. Drug metabolism and disposition: the biological fate of chemicals, Volume: 26, Issue: 2	1998
Studies on the reactivity of acyl glucuronides--IV. Covalent binding of diflunisal to tissues of the rat. Biochemical pharmacology, Mar-09, Volume: 45, Issue: 5	1993
Studies on the reactivity of acyl glucuronides--V. Glucuronide-derived covalent binding of diflunisal to bladder tissue of rats and its modulation by urinary pH and beta-glucuronidase. Biochemical pharmacology, Oct-05, Volume: 46, Issue: 7	1993
Studies on the reactivity of acyl glucuronides--VIII. Generation of an antiserum for the detection of diflunisal-modified proteins in diflunisal-dosed rats. Biochemical pharmacology, Jan-18, Volume: 49, Issue: 2	1995
Platelet aggregation in patients treated with diflunisal. Current medical research and opinion, Volume: 6, Issue: 7	1980
[Comparison of the efficacy of diflunisal and acetylsalicylic acid in rheumatoid arthritis (author's transl)]. Wiener medizinische Wochenschrift (1946), Feb-15, Volume: 131, Issue: 3	1981
Diflunisal disposition and hypouricemic response in osteoarthritis. Clinical pharmacology and therapeutics, Volume: 33, Issue: 6	1983
[Comparison of diflunisal and tilidine in tumor pain]. Fortschritte der Medizin, Mar-08, Volume: 102, Issue: 9	1984
Diflunisal-induced maternal anemia as a cause of teratogenicity in rabbits. Teratology, Volume: 30, Issue: 3	1984
Peripherally acting analgesics. The American journal of medicine, Sep-10, Volume: 77, Issue: 3A	1984
Review of ibuprofen for osteoarthritis. The American journal of medicine, Jul-13, Volume: 77, Issue: 1A	1984
[A controlled clinical single-dose comparative study of suprofen and diflunisal]. Arzneimittel-Forschung, Volume: 33, Issue: 9	1983
Analgesia following arthroscopic surgery: comparison of diflunisal and acetaminophen with codeine. Arthroscopy : the journal of arthroscopic & related surgery : official publication of the Arthroscopy Association of North America and the International Arthroscopy Association, Volume: 2, Issue: 2	1986
Evaluation of the teratogenicity and pharmacokinetics of diflunisal in cynomolgus monkeys. Fundamental and applied toxicology : official journal of the Society of Toxicology, Volume: 8, Issue: 1	1987
Comparison of diflunisal and aspirin in long-term treatment of patients with rheumatoid arthritis. Clinical therapeutics, Volume: 9 Suppl C	1986
Efficacy of diflunisal versus naproxen in osteoarthritis of the knee: an open study. Clinical therapeutics, Volume: 9 Suppl C	1986
A single blind randomized endoscopic study comparing the effects of diflunisal and naproxen in patients with osteoarthritis. The Journal of rheumatology, Volume: 13, Issue: 4	1986
Comparison of diflunisal and acetaminophen with codeine in the treatment of mild to moderate pain due to strains and sprains. Clinical therapeutics, Volume: 8, Issue: 3	1986
Diflunisal ('Dolobid') once-a-day in the treatment of rheumatoid arthritis. Current medical research and opinion, Volume: 9, Issue: 8	1985
The effects of diflunisal on bleeding time and platelet aggregation in a multidose study. International journal of oral and maxillofacial surgery, Volume: 16, Issue: 4	1987
Comparison of diflunisal and naproxen in the management of acute low back strain. Clinical therapeutics, Volume: 9 Suppl C	1986
Medical treatment of acute low back pain. Diflunisal compared with indomethacin in acute lumbago. International journal of clinical pharmacology research, Volume: 6, Issue: 1	1986
Influence of renal failure, rheumatoid arthritis and old age on the pharmacokinetics of diflunisal. European journal of clinical pharmacology, Volume: 36, Issue: 2	1989
Covalent binding of diflunisal and probenecid to plasma protein in humans: persistence of the adducts in the circulation. Research communications in chemical pathology and pharmacology, Volume: 66, Issue: 3	1989
Comparison of prophylactic and on-demand diflunisal for pain management of patients having one-visit endodontic therapy. Oral surgery, oral medicine, and oral pathology, Volume: 69, Issue: 6	1990
The effect of multiple dosage on the kinetics of glucuronidation and sulphation of diflunisal in man. British journal of clinical pharmacology, Volume: 29, Issue: 4	1990
Reactivity of diflunisal acyl glucuronide in human and rat plasma and albumin solutions. Biochemical pharmacology, Mar-15, Volume: 39, Issue: 6	1990
Effect of multiple dosing on the analgesic action of diflunisal in rats. Life sciences, Volume: 46, Issue: 10	1990
Evaluation of postoperative diflunisal for periodontal surgery pain. American journal of dentistry, Volume: 4, Issue: 1	1991
Studies on the reactivity of acyl glucuronides--I. Phenolic glucuronidation of isomers of diflunisal acyl glucuronide in the rat. Biochemical pharmacology, Nov-27, Volume: 42, Issue: 12	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

diflunisal

Description

Cross-References

Synonyms (165)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (2)

Drug Classes (2)

Pathways (1)

Protein Targets (44)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (292)

Molecular Functions (113)

Ceullar Components (57)

Bioassays (309)

Research

Studies (543)

Study Types

Clinical Trials (5)

Trial Overview

Trial Outcomes

Kumamoto Neurologic Scale;

Modified Body Mass Index (mBMI);

Neurologic Impairment Score + 7 (NIS+7)

Quality of Life Questionnaire: SF-36 Mental Component Score

Quality of Life Questionnaire: SF-36 Physical Component Score

Research Highlights

Safety/Toxicity (9)

Long-term Use (2)

Pharmacokinetics (15)

Bioavailability (15)

Dosage (49)

Interactions (3)

Article	Year
Safety and efficacy of long-term diflunisal administration in hereditary transthyretin (ATTR) amyloidosis. Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis, Volume: 22, Issue: 2	2015
Precision cut intestinal slices are an appropriate ex vivo model to study NSAID-induced intestinal toxicity in rats. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 28, Issue: 7	2014
Biological evaluation of bismuth non-steroidal anti-inflammatory drugs (BiNSAIDs): stability, toxicity and uptake in HCT-8 colon cancer cells. Journal of inorganic biochemistry, Volume: 135	2014
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
Developing structure-activity relationships for the prediction of hepatotoxicity. Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7	2010
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling. Current drug discovery technologies, Volume: 1, Issue: 4	2004
Replication of the Weber effect using postmarketing adverse event reports voluntarily submitted to the United States Food and Drug Administration. Pharmacotherapy, Volume: 24, Issue: 6	2004
Nonsteroidal anti-inflammatory drugs efficiently reduce the transport and cytotoxicity of adefovir mediated by the human renal organic anion transporter 1. The Journal of pharmacology and experimental therapeutics, Volume: 295, Issue: 1	2000
Comparing reporting rates of adverse events between drugs with adjustment for year of marketing and secular trends in total reporting. Journal of biopharmaceutical statistics, Volume: 5, Issue: 1	1995
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

diflunisal

Description

Cross-References

Synonyms (165)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (2)

Drug Classes (2)

Pathways (1)

Protein Targets (44)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (292)

Molecular Functions (113)

Ceullar Components (57)

Bioassays (309)

Research

Studies (543)

Study Types

Clinical Trials (5)

Trial Overview

Trial Outcomes

Kumamoto Neurologic Scale;

Modified Body Mass Index (mBMI);

Neurologic Impairment Score + 7 (NIS+7)

Quality of Life Questionnaire: SF-36 Mental Component Score

Quality of Life Questionnaire: SF-36 Physical Component Score

Related Drugs (3,296)

Related Conditions (728)

Research Highlights

Safety/Toxicity (9)

Long-term Use (2)

Pharmacokinetics (15)

Bioavailability (15)

Dosage (49)

Interactions (3)