procainamide profile

Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. [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)

procainamide is involved in 1 pathway(s), involving a total of 47 unique proteins and 8 unique compounds

ID Source	ID
PubMed CID	4913
CHEMBL ID	640
CHEBI ID	8428
SCHEMBL ID	15914
MeSH ID	M0017605

Synonym
BIDD:GT0579
BB 0216450
BRD-K75089421-003-04-7
BRD-K75089421-001-02-5
BRD-K75089421-003-05-4
p-amino-n-(2-diethylaminoethyl)benzamide
benzamide, p-amino-n-[2-(diethylamino)ethyl]-
p-aminobenzoic diethylaminoethylamide
nsc-27461
biocoryl
novocaine amide
wln: zr dvm2n2&2
novocainamid
novocainamide
nsc27461
benzamide, 4-amino-n-[2-(diethylamino)ethyl]-
procaine amide
pronestyl
procamide
novocamid
procapan (free base)
KBIO1_000931
DIVK1C_000931
4-amino-n-[2-(diethylamino)ethyl]benzamide
SPECTRUM_000836
benzamide, p-amino-n-(2-(diethylamino)ethyl)-
brn 2214285
procan
hsdb 3170
4-amino-n-(2-(diethylamino)ethyl)benzamide
einecs 200-078-8
procainamide [inn:ban]
2-diethylaminoethylamid kyseliny p-aminobenzoove [czech]
procainamida [inn-spanish]
nsc 27461
benzamide, 4-amino-n-(2-(diethylamino)ethyl)-
procainamidum [inn-latin]
BIO2_000663
BIO2_000183
BIO1_000880
BIO1_000391
NCGC00015859-01
lopac-p-9391
CBDIVE_003757
NCGC00015859-02
cas-614-39-1
BIO1_001369
BSPBIO_001463
PRESTWICK3_000337
IDI1_033933
BPBIO1_000411
IDI1_000931
LOPAC0_000995
SMP1_000055
BSPBIO_002229
BSPBIO_000373
PRESTWICK2_000337
SPECTRUM5_000986
AB00053530
STK367963
51-06-9
C07401
procainamide
DB01035
NCGC00024323-05
NCGC00024323-04
KBIO3_001729
KBIO2_002751
KBIO2_006452
KBIOGR_000973
KBIOGR_000183
KBIOSS_001316
KBIO2_000183
KBIO3_000365
KBIO3_000366
KBIO2_005319
KBIOSS_000183
KBIO2_001316
KBIO2_003884
MAYBRIDGE1_004389
SPBIO_002294
NINDS_000931
PRESTWICK1_000337
PRESTWICK0_000337
SPECTRUM3_000555
SPECTRUM4_000487
SPECTRUM2_001295
SPBIO_001329
NCGC00024323-03
NCGC00015859-03
NCGC00024323-06
amide, procaine
CHEBI:8428 ,
procainamidum
procainamida
rhythmin
HMS2089E13
HMS1989J05
NCGC00015859-10
sp 100 (pharmaceutical)
CHEMBL640
AKOS000271131
HMS553P13
L001052
procainamide (inn)
D08421
HMS1791J05
HMS1361J05
4-amino-n-(2-diethylaminoethyl)benzamide
NCGC00015859-07
dtxcid403512
cas-51-06-9
dtxsid7023512 ,
tox21_110246
CCG-205075
NCGC00015859-08
NCGC00015859-04
NCGC00015859-11
NCGC00015859-05
NCGC00015859-06
NCGC00015859-09
4-14-00-01154 (beilstein handbook reference)
unii-l39wtc366d
2-diethylaminoethylamid kyseliny p-aminobenzoove
l39wtc366d ,
EPITOPE ID:135397
gtpl4811
procainamide [inn]
procainamide [who-dd]
n-(2-(diethylamino)ethyl)-4-aminobenzamide
procainamide [vandf]
procainamide [hsdb]
4-amino-n-(2-diethylaminoethyl) benzamide
AB00053530-15
SCHEMBL15914
tox21_110246_1
NCGC00015859-14
AB00053530-13
4-{n-[2-(diethylamino)ethyl]carbamoyl}aniline
n-(2-diethylaminoethyl) 4-aminobenzamide
bdbm39344
cid_66068
4-azanyl-n-[2-(diethylamino)ethyl]benzamide;hydrochloride
cambridge id 5144127
4-amino-n-(diethylaminoethyl)benzamide
4-amino-n-[2-(diethylamino)ethyl]benzamide #
HMS3402J05
n1-[2-(diethylamino)ethyl]-4-aminobenzamide
AB00053530_16
F2173-1035
mfcd00066880
CS-W009100
SBI-0050968.P004
NCGC00015859-18
Q417597
BRD-K75089421-003-15-3
FS-5697
SDCCGSBI-0050968.P005
NCGC00015859-23
procanbid; sp 100; sp 100 (pharmaceutical)
C75392
NCGC00015859-16
4-amino-n-(2-diethylamino-ethyl)-benzamide
EN300-33971
HY-A0084A
c01ba02
procainamidum (inn-latin)
procainamida (inn-spanish)

Excerpt	Reference
"Procainamide is a widely used antiarrhythmic that is fraught with therapeutic limitations such as a short half-life, production of autoimmune antibodies and a lupus-like syndrome, and complex pharmacokinetics. "	( Beedle, EE; Parli, CJ; Robertson, DW; Smallwood, JK; Steinberg, MI; Wilson, H, 1988)
"Procainamide is a useful agent for management of ventricular arrhythmia, however its disposition and appropriate dosing during extracorporeal membrane oxygenation (ECMO) is unknown. "	( Rosenbaum, AN; Vollmer, NJ; Wieruszewski, PM; Wittwer, ED, 2023)
"Procainamide is a sodium channel blocker used to diagnose BrS."	( Alqarawi, W; Krahn, AD; Laksman, Z; Larsen, JM; Leach, E; Pearman, CM; Walia, J, 2021)
"Procainamide is an antiarrhythmic drug of unproven efficacy in cardiac arrest. "	( Allen, J; Eisenberg, MS; Fahrenbruch, CE; Gold, LS; Kudenchuk, PJ; Markel, DT; Rea, TD, 2010)
"Procainamide is a competitive DNA methyltransferase (Dnmt) inhibitor, hydralazine inhibits ERK pathway signaling thereby decreasing Dnmt expression, and in lupus T cells decreased ERK pathway signaling causing a similar Dnmt decrease."	( Lu, Q; Richardson, BC; Wu, A, 2005)
"Procainamide (PA) is a drug that is used to treat tachycardia in postoperative patients or for long-term maintenance of cardiac arrythmias. "	( Bonini, MG; Deterding, LJ; Ehrenshaft, M; Jiang, J; Mason, RP; Siraki, AG; Tomer, KB, 2008)
"Procainamide is an organic cation and commonly prescribed drug that is actively secreted into the urine by renal proximal tubules. "	( McKinney, TD, 1983)
"Procainamide is a class I antiarrhythmic agent that undergoes active tubular secretion through the organic cation transport system, with approximately 50% of a dose excreted in the urine as unchanged drug. "	( Cascio, W; Griener, J; Martin, DE; Patterson, JH; Raasch, R; Shen, J, 1996)
"Procainamide is a class IA antiarrhythmic drug indicated for the treatment of life-threatening or symptomatic ventricular arrhythmias. "	( Haber, HE; Kerin, NZ; Meengs, WL; Salerno, D; Singer, RM; Timmis, GC, 1997)
"Procainamide hydrochloride is a Class 1A antiarrhythmic agent administered intravenously or orally for treatment of symptomatic ventricular premature depolarizations (VPD), nonsustained ventricular tachycardia, and life-threatening ventricular arrhythmias. "	( Abel, RB; de Vries, TM; Eldon, MA; Koup, JR; Smithers, JA, 1998)
"Procainamide is an effective antiarrhythmic that is often used to convert atrial fibrillation to normal sinus rhythm. "	( Murray, KD; Vlasnik, JJ, 1999)
"Procainamide is a sodium channel blocker which prolongs QRS and QTc intervals, yet its major active metabolite, N-acetylprocainamide (NAPA), generally prolongs only QTc and has very different electrophysiologic and antiarrhythmic actions. "	( Funck-Brentano, C; Light, RT; Lineberry, MD; Roden, DM; Woosley, RL; Wright, GM, 1989)
"Procainamide is a class I antiarrhythmic drug. "	( Dangman, KH; Miura, DS, 1989)
"Procainamide is a commonly used antiarrhythmic drug associated with the induction of autoantibodies, and occasionally with a lupus-like syndrome."	( Currie, MS; Greenberg, CS; Li, GC, 1988)
"Procainamide is a potent inducer of autoantibodies. "	( Yu, CL; Ziff, M, 1985)
"Procainamide-induced lupus is a well-recognized syndrome, but the events leading up to clinical symptoms are obscure. "	( Curd, JG; Johnson, AD; Nusinow, SR; Rubenson, DS; Rubin, RL; Tan, EM, 1986)

Excerpt	Reference
"Procainamide has a high propensity for the induction of an autoimmune response. "	( Rubin, RL; Tan, EM, 1984)
"Procainamide has been shown to inhibit DNA methyltransferase activity and reactivate silenced gene expression in cancer cells by reversing CpG island hypermethylation."	( Lee, BH; Lin, X; Nelson, WG; Yegnasubramanian, S, 2005)
"Procainamide (PA) has been a mainstay of treatment against acute and chronic supraventricular and ventricular arrhythmias for more than 30 years. "	( Giardina, EG, 1984)
"Procainamide has a high propensity for the induction of an autoimmune response. "	( Rubin, RL; Tan, EM, 1984)
"Procainamide has become the most frequent cause of the drug-induced lupus syndrome. "	( Condemi, JJ, 1980)
"Procainamide therapy has frequently been reported as a cause of agranulocytosis, but severe thrombocytopenia associated with the use of this drug has been noted only once. "	( Amorosi, EL; Rothman, IK, 1979)
"Procainamide has been used extensively for the treatment of ventricular arrhythmias. "	( Cohen, MD; Dibner-Dunlap, ME; Thames, MD; Yuih, SN, 1992)

Excerpt	Reference
"Procainamide (PA) may cause drug-induced lupus, and its reactive metabolites, hydroxylamine-PA (HAPA) and nitroso-PA, are held responsible for this. "	( Abel, J; Degen, G; Gleichmann, E; Goebel, C; Mittmann, S; Sachs, B; Schraa, S; Uetrecht, J; Vogel, C; Wulferink, M, 1999)

Excerpt	Reference
"Procainamide treatment was introduced and the digestive symptoms improved."	( Avez-Couturier, J; Cuisset, JM; Dolhem, P; Gottrand, F; Lamblin, MD; Michaud, L; Turck, D; Vallée, L, 2009)
"Procainamide treatment led to an equal, rate independent VERP and APD increase: no post repolarization refractoriness."	( den Dulk, K; Leerssen, HM; van der Zande, J; Vos, MA; Wellens, HJ, 1999)
"Treatment with procainamide not only inhibited the overexpression of DNMT1 but also diminished the overproduction of IL-6 in rhabdomyolysis rats."	( Chen, SJ; Hii, HP; Ka, SM; Liao, MH; Shih, CC; Tsao, CM; Wu, CC, 2016)
"Treatment with procainamide or atenolol was not effective."	( Atkins, CE; DeFrancesco, TC; Gordon, SG; Hamlin, RL; Keene, BW; Meurs, KM; Miller, MW; Moise, NS; Spier, AW; Wright, NA, 2002)

Role	Description
sodium channel blocker	An agent that inhibits sodium influx through cell membranes.
anti-arrhythmia drug	A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
platelet aggregation inhibitor	A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
[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
benzamides
[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
Procainamide (Antiarrhythmic) Action Pathway	47	8

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
TDP1 protein	Homo sapiens (human)	Potency	23.7150	0.0008	11.3822	44.6684	AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	0.1188	0.0007	14.5928	83.7951	AID1259369
AR protein	Homo sapiens (human)	Potency	21.3138	0.0002	21.2231	8,912.5098	AID743035; AID743063
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	39.8107	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	15.8489	0.0013	18.0743	39.8107	AID926; AID938
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	32.5548	0.0002	29.3054	16,493.5996	AID743080; AID743091
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	15.8489	0.0025	5.8400	31.6228	AID899
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	39.8107	0.0398	16.7842	39.8107	AID995
flap endonuclease 1	Homo sapiens (human)	Potency	2.3778	0.1337	25.4129	89.1251	AID588795
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	0.3013	0.4256	12.0591	28.1838	AID504536
muscarinic acetylcholine receptor M1	Rattus norvegicus (Norway rat)	Potency	6.3096	0.0010	6.0009	35.4813	AID943
lamin isoform A-delta10	Homo sapiens (human)	Potency	0.0100	0.8913	12.0676	28.1838	AID1487
[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)
Solute carrier family 22 member 1	Mus musculus (house mouse)	IC50 (µMol)	3.9000	0.2800	1.3275	3.9000	AID678794
Solute carrier family 22 member 2	Homo sapiens (human)	Ki	50.0000	0.1000	1.5220	3.4000	AID681171
Solute carrier family 22 member 1	Homo sapiens (human)	Ki	73.9000	0.5500	4.2650	7.4600	AID681146
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)	IC50 (µMol)	389.5000	0.0003	2.6311	9.0000	AID1207763
Sterol O-acyltransferase 1	Rattus norvegicus (Norway rat)	IC50 (µMol)	1.0000	0.0058	0.6626	6.0000	AID31807
Solute carrier family 22 member 2	Mus musculus (house mouse)	IC50 (µMol)	312.0000	2.8000	4.7667	8.0000	AID678785
Solute carrier family 22 member 3	Homo sapiens (human)	Ki	738.0000	0.1200	0.1200	0.1200	AID681584
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	134.0000	0.1100	7.1903	10.0000	AID1443980; AID1473738
Acetylcholinesterase	Homo sapiens (human)	IC50 (µMol)	1.0000	0.0000	0.9332	10.0000	AID31167; AID31807
Acetylcholinesterase	Homo sapiens (human)	Ki	1.0000	0.0000	1.2786	9.7300	AID31614
Acetylcholinesterase	Bos taurus (cattle)	IC50 (µMol)	0.5000	0.0000	0.6106	8.7000	AID30687
DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)	IC50 (µMol)	500.0000	0.0186	1.6488	6.0000	AID1199269
Sterol O-acyltransferase 1	Homo sapiens (human)	IC50 (µMol)	1.0000	0.0250	1.7975	8.0000	AID31807
Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)	IC50 (µMol)	389.5000	0.0003	2.5955	9.0000	AID1207763
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50 (µMol)	138.0380	0.0009	1.9014	10.0000	AID243151; AID576612
Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)	IC50 (µMol)	389.5000	0.0003	2.6311	9.0000	AID1207763
Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)	IC50 (µMol)	389.5000	0.0003	2.2545	9.6000	AID1207763
Solute carrier family 22 member 1	Rattus norvegicus (Norway rat)	IC50 (µMol)	8.9000	0.1800	3.6857	8.8000	AID678995; AID678996; AID679317
Solute carrier family 22 member 1	Rattus norvegicus (Norway rat)	Ki	30.0000	0.1300	2.3785	6.9000	AID681157; AID681375
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
Solute carrier family 22 member 2	Rattus norvegicus (Norway rat)	IC50 (µMol)	229.2500	1.0000	4.4467	10.0000	AID678968; AID678969; AID679293; AID681158
Solute carrier family 22 member 2	Rattus norvegicus (Norway rat)	Ki	36.0000	0.3900	2.3295	9.4000	AID681368
DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)	IC50 (µMol)	300.0000	0.5000	3.9667	10.0000	AID1199272
DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)	IC50 (µMol)	300.0000	0.5000	3.7333	10.0000	AID1199272
[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)
Solute carrier family 22 member 1	Homo sapiens (human)	Activity	14.5000	0.7100	5.3017	9.7000	AID681117
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
activation of cysteine-type endopeptidase activity involved in apoptotic process	Solute carrier family 22 member 2	Homo sapiens (human)
positive regulation of gene expression	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
monoatomic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 2	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 2	Homo sapiens (human)
body fluid secretion	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 2	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 2	Homo sapiens (human)
amine transport	Solute carrier family 22 member 2	Homo sapiens (human)
putrescine transport	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transport	Solute carrier family 22 member 2	Homo sapiens (human)
choline transport	Solute carrier family 22 member 2	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 2	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 2	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 2	Homo sapiens (human)
histamine transport	Solute carrier family 22 member 2	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 2	Homo sapiens (human)
histamine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
thiamine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
amino acid import across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine import across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
export across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 2	Homo sapiens (human)
L-alpha-amino acid transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic metabolic process	Solute carrier family 22 member 1	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 1	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 1	Homo sapiens (human)
establishment or maintenance of transmembrane electrochemical gradient	Solute carrier family 22 member 1	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 1	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 1	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 1	Homo sapiens (human)
monoamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
putrescine transport	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 1	Homo sapiens (human)
acetylcholine transport	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 1	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 1	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
metanephric proximal tubule development	Solute carrier family 22 member 1	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 1	Homo sapiens (human)
monoatomic cation transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 1	Homo sapiens (human)
(R)-carnitine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
acyl carnitine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
visual perception	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
detection of light stimulus involved in visual perception	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
calcium ion import across plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
histamine metabolic process	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 3	Homo sapiens (human)
monoatomic ion transport	Solute carrier family 22 member 3	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 3	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 3	Homo sapiens (human)
organic anion transport	Solute carrier family 22 member 3	Homo sapiens (human)
monocarboxylic acid transport	Solute carrier family 22 member 3	Homo sapiens (human)
monoamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 3	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 3	Homo sapiens (human)
regulation of appetite	Solute carrier family 22 member 3	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 3	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 3	Homo sapiens (human)
histamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 3	Homo sapiens (human)
histamine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
epinephrine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 3	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 3	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 3	Homo sapiens (human)
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
acetylcholine catabolic process in synaptic cleft	Acetylcholinesterase	Homo sapiens (human)
regulation of receptor recycling	Acetylcholinesterase	Homo sapiens (human)
osteoblast development	Acetylcholinesterase	Homo sapiens (human)
acetylcholine catabolic process	Acetylcholinesterase	Homo sapiens (human)
cell adhesion	Acetylcholinesterase	Homo sapiens (human)
nervous system development	Acetylcholinesterase	Homo sapiens (human)
synapse assembly	Acetylcholinesterase	Homo sapiens (human)
receptor internalization	Acetylcholinesterase	Homo sapiens (human)
negative regulation of synaptic transmission, cholinergic	Acetylcholinesterase	Homo sapiens (human)
amyloid precursor protein metabolic process	Acetylcholinesterase	Homo sapiens (human)
positive regulation of protein secretion	Acetylcholinesterase	Homo sapiens (human)
retina development in camera-type eye	Acetylcholinesterase	Homo sapiens (human)
acetylcholine receptor signaling pathway	Acetylcholinesterase	Homo sapiens (human)
positive regulation of cold-induced thermogenesis	Acetylcholinesterase	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
DNA methylation-dependent heterochromatin formation	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
DNA-templated transcription	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
positive regulation of gene expression	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
negative regulation of gene expression	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
methylation	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
epigenetic programming of gene expression	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
negative regulation of gene expression via chromosomal CpG island methylation	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
cellular response to amino acid stimulus	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
chromosomal DNA methylation maintenance following DNA replication	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
cellular response to bisphenol A	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
negative regulation of vascular associated smooth muscle cell apoptotic process	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
negative regulation of vascular associated smooth muscle cell differentiation involved in phenotypic switching	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
cholesterol metabolic process	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol metabolic process	Sterol O-acyltransferase 1	Homo sapiens (human)
macrophage derived foam cell differentiation	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol storage	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol efflux	Sterol O-acyltransferase 1	Homo sapiens (human)
very-low-density lipoprotein particle assembly	Sterol O-acyltransferase 1	Homo sapiens (human)
low-density lipoprotein particle clearance	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol homeostasis	Sterol O-acyltransferase 1	Homo sapiens (human)
positive regulation of amyloid precursor protein biosynthetic process	Sterol O-acyltransferase 1	Homo sapiens (human)
calcium ion transport	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
sensory perception of sound	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
positive regulation of adenylate cyclase activity	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
positive regulation of calcium ion transport	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
regulation of atrial cardiac muscle cell membrane repolarization	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
calcium ion import	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
calcium ion transmembrane transport	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
cardiac muscle cell action potential involved in contraction	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
membrane depolarization during cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
membrane depolarization during SA node cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
regulation of potassium ion transmembrane transporter activity	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
regulation of potassium ion transmembrane transport	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
calcium ion import across plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by hormone	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion homeostasis	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cardiac muscle contraction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cellular response to xenobiotic stimulus	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane depolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion import across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
skeletal system development	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
extraocular skeletal muscle development	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
calcium ion transport	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
muscle contraction	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
striated muscle contraction	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
endoplasmic reticulum organization	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
myoblast fusion	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
neuromuscular junction development	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
skeletal muscle adaptation	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
positive regulation of muscle contraction	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
skeletal muscle fiber development	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
release of sequestered calcium ion into cytosol	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
calcium ion transmembrane transport	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
cellular response to caffeine	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
calcium ion import across plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
immune system development	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
heart development	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
embryonic forelimb morphogenesis	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
camera-type eye development	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
positive regulation of adenylate cyclase activity	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
positive regulation of muscle contraction	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
calcium ion transport into cytosol	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
cardiac conduction	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
calcium ion transmembrane transport via high voltage-gated calcium channel	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
calcium ion transmembrane transport	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
cardiac muscle cell action potential involved in contraction	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
membrane depolarization during cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
membrane depolarization during AV node cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
cell communication by electrical coupling involved in cardiac conduction	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
regulation of ventricular cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
membrane depolarization during atrial cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
calcium ion import across plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
xenobiotic metabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of gene expression	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bile acid and bile salt transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
heme catabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic export from cell	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transepithelial transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
leukotriene transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
monoatomic anion transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
placenta development	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
DNA methylation-dependent heterochromatin formation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
male meiosis I	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
spermatogenesis	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
methylation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
epigenetic programing of female pronucleus	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
negative regulation of gene expression, epigenetic	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
stem cell differentiation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
chorionic trophoblast cell differentiation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
genomic imprinting	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
negative regulation of DNA methylation-dependent heterochromatin formation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
retrotransposon silencing by heterochromatin formation	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
autosome genomic imprinting	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
DNA methylation-dependent heterochromatin formation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
spermatogenesis	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to xenobiotic stimulus	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to toxic substance	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to ionizing radiation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to lead ion	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
neuron differentiation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
regulatory ncRNA-mediated heterochromatin formation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
methylation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to estradiol	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to vitamin A	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
response to cocaine	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
negative regulation of gene expression via chromosomal CpG island methylation	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
S-adenosylmethionine metabolic process	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cellular response to amino acid stimulus	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cellular response to ethanol	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cellular response to hypoxia	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
hepatocyte apoptotic process	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
autosome genomic imprinting	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
positive regulation of cellular response to hypoxia	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cellular response to bisphenol A	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
negative regulation of DNA-templated transcription	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
amine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
pyrimidine nucleoside transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
choline transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
thiamine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
putrescine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
efflux transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine:sodium symporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine:sodium symporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
protein binding	Solute carrier family 22 member 1	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
secondary active organic cation transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
pyrimidine nucleoside transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
putrescine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
identical protein binding	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
(R)-carnitine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
metal ion binding	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
high voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
protein binding	Solute carrier family 22 member 3	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
amyloid-beta binding	Acetylcholinesterase	Homo sapiens (human)
acetylcholinesterase activity	Acetylcholinesterase	Homo sapiens (human)
cholinesterase activity	Acetylcholinesterase	Homo sapiens (human)
protein binding	Acetylcholinesterase	Homo sapiens (human)
collagen binding	Acetylcholinesterase	Homo sapiens (human)
hydrolase activity	Acetylcholinesterase	Homo sapiens (human)
serine hydrolase activity	Acetylcholinesterase	Homo sapiens (human)
acetylcholine binding	Acetylcholinesterase	Homo sapiens (human)
protein homodimerization activity	Acetylcholinesterase	Homo sapiens (human)
laminin binding	Acetylcholinesterase	Homo sapiens (human)
amyloid-beta binding	Acetylcholinesterase	Bos taurus (cattle)
protein binding	Acetylcholinesterase	Bos taurus (cattle)
DNA binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
RNA binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
DNA (cytosine-5-)-methyltransferase activity	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
protein binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
zinc ion binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
methyl-CpG binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
DNA-methyltransferase activity	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
promoter-specific chromatin binding	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
fatty-acyl-CoA binding	Sterol O-acyltransferase 1	Homo sapiens (human)
sterol O-acyltransferase activity	Sterol O-acyltransferase 1	Homo sapiens (human)
protein binding	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol binding	Sterol O-acyltransferase 1	Homo sapiens (human)
cholesterol O-acyltransferase activity	Sterol O-acyltransferase 1	Homo sapiens (human)
high voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
protein binding	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
ankyrin binding	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
metal ion binding	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
alpha-actinin binding	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
voltage-gated calcium channel activity involved in cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
voltage-gated calcium channel activity involved SA node cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
transcription cis-regulatory region binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
delayed rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ubiquitin protein ligase binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
identical protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein homodimerization activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
C3HC4-type RING finger domain binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
scaffold protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
protein binding	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
calmodulin binding	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
high voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
small molecule binding	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
metal ion binding	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
molecular function activator activity	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
high voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
voltage-gated calcium channel activity involved in cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
protein binding	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
calmodulin binding	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
high voltage-gated calcium channel activity	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
metal ion binding	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
alpha-actinin binding	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
voltage-gated calcium channel activity involved in cardiac muscle cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
voltage-gated calcium channel activity involved in AV node cell action potential	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
protein binding	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
enzyme activator activity	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
enzyme binding	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
metal ion binding	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
DNA (cytosine-5-)-methyltransferase activity, acting on CpG substrates	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
DNA binding	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
DNA binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
chromatin binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
transcription corepressor activity	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
DNA (cytosine-5-)-methyltransferase activity	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
protein binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
identical protein binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
unmethylated CpG binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
metal ion binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
lncRNA binding	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
protein-cysteine methyltransferase activity	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
membrane	Solute carrier family 22 member 2	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
extracellular exosome	Solute carrier family 22 member 2	Homo sapiens (human)
presynapse	Solute carrier family 22 member 2	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
membrane	Solute carrier family 22 member 1	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
lateral plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
presynapse	Solute carrier family 22 member 1	Homo sapiens (human)
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
photoreceptor outer segment	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
membrane	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
perikaryon	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)
nuclear outer membrane	Solute carrier family 22 member 3	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
endomembrane system	Solute carrier family 22 member 3	Homo sapiens (human)
membrane	Solute carrier family 22 member 3	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
mitochondrial membrane	Solute carrier family 22 member 3	Homo sapiens (human)
neuronal cell body	Solute carrier family 22 member 3	Homo sapiens (human)
presynapse	Solute carrier family 22 member 3	Homo sapiens (human)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
extracellular region	Acetylcholinesterase	Homo sapiens (human)
basement membrane	Acetylcholinesterase	Homo sapiens (human)
extracellular space	Acetylcholinesterase	Homo sapiens (human)
nucleus	Acetylcholinesterase	Homo sapiens (human)
Golgi apparatus	Acetylcholinesterase	Homo sapiens (human)
plasma membrane	Acetylcholinesterase	Homo sapiens (human)
cell surface	Acetylcholinesterase	Homo sapiens (human)
membrane	Acetylcholinesterase	Homo sapiens (human)
neuromuscular junction	Acetylcholinesterase	Homo sapiens (human)
synaptic cleft	Acetylcholinesterase	Homo sapiens (human)
synapse	Acetylcholinesterase	Homo sapiens (human)
perinuclear region of cytoplasm	Acetylcholinesterase	Homo sapiens (human)
side of membrane	Acetylcholinesterase	Homo sapiens (human)
synapse	Acetylcholinesterase	Bos taurus (cattle)
side of membrane	Acetylcholinesterase	Bos taurus (cattle)
female germ cell nucleus	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
nucleoplasm	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
replication fork	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
pericentric heterochromatin	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 1	Homo sapiens (human)
endoplasmic reticulum	Sterol O-acyltransferase 1	Homo sapiens (human)
endoplasmic reticulum membrane	Sterol O-acyltransferase 1	Homo sapiens (human)
membrane	Sterol O-acyltransferase 1	Homo sapiens (human)
endoplasmic reticulum membrane	Sterol O-acyltransferase 1	Homo sapiens (human)
plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
Z disc	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
L-type voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cell surface	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
perinuclear region of cytoplasm	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cytoplasm	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
sarcoplasmic reticulum	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
T-tubule	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
I band	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
L-type voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)
cytoplasm	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
plasma membrane	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
postsynaptic density	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
membrane	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
Z disc	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
dendrite	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
perikaryon	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
postsynaptic density membrane	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
L-type voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
voltage-gated calcium channel complex	Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ESC/E(Z) complex	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
condensed nuclear chromosome	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
cytosol	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
catalytic complex	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
heterochromatin	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 3-like	Homo sapiens (human)
chromosome, centromeric region	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
XY body	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
nucleoplasm	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cytoplasm	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
nuclear matrix	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
catalytic complex	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
euchromatin	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
heterochromatin	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
nucleus	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
cytoplasm	DNA (cytosine-5)-methyltransferase 3A	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (291)

Assay ID	Title	Year	Journal	Article
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
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.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
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.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
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.
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.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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.
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.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347160	Primary 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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID681158	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes	2001	American journal of physiology. Renal physiology, Sep, Volume: 281, Issue:3	Interaction of cations, anions, and weak base quinine with rat renal cation transporter rOCT2 compared with rOCT1.
AID57675	Amplitude when no compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID678995	TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells	2002	The Journal of pharmacology and experimental therapeutics, Dec, Volume: 303, Issue:3	The cation transporters rOCT1 and rOCT2 interact with bicarbonate but play only a minor role for amantadine uptake into rat renal proximal tubules.
AID678806	TP_TRANSPORTER: inhibition of TEA uptake in Octn1-HRPE cells	2000	Biochimica et biophysica acta, Jun-01, Volume: 1466, Issue:1-2	Structural and functional characteristics and tissue distribution pattern of rat OCTN1, an organic cation transporter, cloned from placenta.
AID205268	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM	1985	Journal of medicinal chemistry, Mar, Volume: 28, Issue:3	[3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs.
AID679203	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 500 uM, Procainamide: 5000 uM) in OCT1A expressing Xenopus laevis oocytes	1997	The Journal of biological chemistry, Jun-27, Volume: 272, Issue:26	Cloning and functional characterization of a rat renal organic cation transporter isoform (rOCT1A).
AID678785	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes	2002	Biochemical and biophysical research communications, Aug-23, Volume: 296, Issue:3	Functional characterization of mouse cation transporter mOCT2 compared with mOCT1.
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.
AID681368	TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells	2001	Pharmaceutical research, Nov, Volume: 18, Issue:11	Distinct characteristics of organic cation transporters, OCT1 and OCT2, in the basolateral membrane of renal tubules.
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.
AID1133895	Effect on cardiac conduction in anesthetized acute myocardial infarction dog model assessed as increase in PR interval at 40 mg/kg, iv administered 10 mins prior to infarction measured after 10 mins (Rvb = 0 ms)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
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).
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1133880	Antiarrhythmic activity in anesthetized acute myocardial infarction dog model assessed as normal ECG complexes at 20 mg/kg, iv administered 10 mins prior to infarction measured during 1-hr postinfarction period (Rvb = 19%)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
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.
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]
AID22812	The maximum percent change from control in the rate of rise of phase 0 of the action potential at 100 uM concentration on Canine Purkinje fibers.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
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.
AID187370	Plasma concentration in rat 5 minutes after administration at a dose of 25 mg/kg	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID678968	TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells	2002	The Journal of pharmacology and experimental therapeutics, Dec, Volume: 303, Issue:3	The cation transporters rOCT1 and rOCT2 interact with bicarbonate but play only a minor role for amantadine uptake into rat renal proximal tubules.
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.
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.
AID29813	Oral bioavailability in human	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID60459	Effect on conversion dose required for arrhythmias in pentobarbital anesthetized dogs	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID61727	Resting potential when no compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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).
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID29337	Ionisation constant (pKa)	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID8002	Observed volume of distribution	2004	Journal of medicinal chemistry, Feb-26, Volume: 47, Issue:5	Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.
AID1146770	Competitive inhibition of Escherichia coli B H2-pteroate synthetase assessed as decrease in H2-pteroate formation using [7-14C]-PABA as substrate treated with enzyme for 10 mins prior to substrate challenge for 40 mins by radioassay method	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	P-Aminobenzoic acid derivatives as inhibitors of the cell-free H2-pteroate synthesizing system of Escherichia coli.
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.
AID275605	Negative inotropic activity assessed as decrease in developed tension in isolated guinea pig left atrium at 0.5 uM relative to control	2007	Journal of medicinal chemistry, Jan-25, Volume: 50, Issue:2	Novel quinolizidinyl derivatives as antiarrhythmic agents.
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).
AID205269	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high-affinity sites on voltage-dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 100 uM	1985	Journal of medicinal chemistry, Mar, Volume: 28, Issue:3	[3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs.
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.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
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.
AID1217710	Covalent binding in human liver microsomes measured per mg of protein using radiolabelled compound at 10 uM after 1 hr incubation by liquid scintillation counting	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1133903	Effect on cardiac conduction in anesthetized acute myocardial infarction dog model assessed as increase in QT duration at 20 mg/kg, iv administered 10 mins prior to infarction measured after 10 mins (Rvb = 2 ms)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
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.
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.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID57674	Amplitude at 3 x 10e-4 M concentration in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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.
AID30697	Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
AID681117	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells	2003	Molecular pharmacology, Mar, Volume: 63, Issue:3	Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1.
AID699541	Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID56829	Action potential duration when no compound was administered in Canine Purkinje fibers measured at 70% repolarization	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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.
AID1149685	Antiarrhythmic activity in po dosed Swiss-Webster mouse assessed as protection against chloroform-induced ventricular fibrillation administered in 4% acacia	1977	Journal of medicinal chemistry, Jun, Volume: 20, Issue:6	Antiarrhythmics. 2. Synthesis and antiarrhythmic activity of N-(piperidylalkyl)trifluoroethoxybenzamides.
AID682012	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 140 uM, Procainamide: 10000 uM) in Xenopus laevis oocytes	1999	Hepatology (Baltimore, Md.), May, Volume: 29, Issue:5	Cloning and functional expression of a mouse liver organic cation transporter.
AID361985	Lipophilicity, log D of compound at pH 7.4 by microfluidic liquid-liquid extraction method	2008	Journal of medicinal chemistry, Aug-28, Volume: 51, Issue:16	Determination of log D via automated microfluidic liquid-liquid extraction.
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.
AID491165	Positive chronotropic activity against potassium-induced contraction in guinea pig left atrium assessed as decrease atrial rate at 100 uM relative to control	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12	Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.
AID699539	Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
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.
AID1443980	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-tauroch	2010	Toxicological sciences : an official journal of the Society of Toxicology, Dec, Volume: 118, Issue:2	Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.
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).
AID31807	Inhibition of Acetylcholinesterase activity from octopus brain	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
AID425652	Total body clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID60089	Sodium channel inactivating potency at 3*10e-4 M	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID681375	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells	2001	Pharmaceutical research, Nov, Volume: 18, Issue:11	Distinct characteristics of organic cation transporters, OCT1 and OCT2, in the basolateral membrane of renal tubules.
AID1199272	Inhibition of His6-tagged human recombinant DNMT3A/DNMT3L expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid	2015	Journal of medicinal chemistry, Mar-26, Volume: 58, Issue:6	Targeting DNA methylation with small molecules: what's next?
AID699540	Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID444053	Renal clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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).
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.
AID29925	Volume of distribution in man (IV dose)	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID60186	Percent change of effective refractory period at 3 x 10e-4 M, in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1217727	Intrinsic clearance for reactive metabolites formation per mg of protein in human liver microsomes based on [3H]GSH adduct formation rate at 100 uM by [3H]GSH trapping assay	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
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.
AID386623	Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy	2008	Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19	Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1.
AID444057	Fraction escaping hepatic elimination in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID30687	Inhibition of Acetylcholinesterase activity of calf forebrain	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
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).
AID1217709	Time dependent inhibition of CYP3A4 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
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.
AID425653	Renal clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
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.
AID576612	Inhibition of human ERG	2011	European journal of medicinal chemistry, Feb, Volume: 46, Issue:2	Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.
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.
AID680396	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 60 uM, Procainamide: 1000 uM) in Xenopus laevis oocytes	1999	The Journal of pharmacology and experimental therapeutics, May, Volume: 289, Issue:2	Novel membrane transporter OCTN1 mediates multispecific, bidirectional, and pH-dependent transport of organic cations.
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]
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID61726	Resting potential at 3 x 10e-4 M in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID678969	TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells	2002	The Journal of pharmacology and experimental therapeutics, Dec, Volume: 303, Issue:3	The cation transporters rOCT1 and rOCT2 interact with bicarbonate but play only a minor role for amantadine uptake into rat renal proximal tubules.
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.
AID681952	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.85 uM, Procainamide: 5000 uM) in Xenopus laevis oocytes	1997	Molecular pharmacology, Jun, Volume: 51, Issue:6	Cloning and functional expression of a human liver organic cation transporter.
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.
AID60090	Sodium channel inactivating potency in the absence of compound (control)	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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.
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.
AID28236	Unbound fraction (tissues)	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID588991	Inhibitors of transporters of clinical importance in the absorption and disposition of drugs, MATE1	2010	Nature reviews. Drug discovery, Mar, Volume: 9, Issue:3	Membrane transporters in drug development.
AID680533	TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.01 uM, Procainamide: 500 uM) in OCTN2-expressing HEK293 cells	2001	Molecular pharmacology, Feb, Volume: 59, Issue:2	Molecular and physiological evidence for multifunctionality of carnitine/organic cation transporter OCTN2.
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).
AID678794	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes	2002	Biochemical and biophysical research communications, Aug-23, Volume: 296, Issue:3	Functional characterization of mouse cation transporter mOCT2 compared with mOCT1.
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.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID655929	Antiarrhythmic activity in guinea pig left atria assessed as increase of 1 Hz-induced alternating current arrhythmia at 5 x 10'-5 M after 60 mins relative to control	2012	Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3	Synthesis and toxicopharmacological evaluation of m-hydroxymexiletine, the first metabolite of mexiletine more potent than the parent compound on voltage-gated sodium channels.
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.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID56093	Percent change from control in conduction time (CT) at 10 uM concentration tested on Canine ventricular muscle fibre; value ranges from -12.0-2.0	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID496818	Antimicrobial activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496827	Antimicrobial activity against Leishmania amazonensis	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID167266	Tested in vitro for antiarrhythmic activity in isolated rabbit atria	1987	Journal of medicinal chemistry, May, Volume: 30, Issue:5	Synthesis and antiarrhythmic activity of new 3-[2-(omega-aminoalkoxy)phenoxy]-4-phenyl-3-buten-2-ones and related compounds.
AID491158	Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig left atrium assessed as increase in current strength at which extra beats occur at 50 uM measured every 30 mins	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12	Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.
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]
AID491137	Vasorelaxant activity in potassium depolarized guinea pig aortic strip assessed as inhibition of calcium-induced contraction at 100 uM	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12	Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.
AID63282	Maximal upstroke velocity when 3*10e-4 M compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1133904	Effect on cardiac conduction in anesthetized acute myocardial infarction dog model assessed as increase in QT duration at 40 mg/kg, iv administered 10 mins prior to infarction measured after 10 mins (Rvb = 2 ms)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID545725	Antiarrhythmic activity in aconitine-intoxicated iv dosed Ivanovas rat assessed as inhibition of ventricular dysfunction	2010	European journal of medicinal chemistry, Dec, Volume: 45, Issue:12	Antiarrhythmic, serotonin antagonist and antianxiety activities of novel substituted thiophene derivatives synthesized from 2-amino-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide.
AID187368	Plasma concentration in rat 30 minutes after administration at a dose of 25 mg/kg	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1217706	Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1217712	Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1217729	Intrinsic clearance for reactive metabolites formation assessed as summation of [3H]GSH adduct formation rate-based reactive metabolites formation and cytochrome P450 (unknown origin) inactivation rate-based reactive metabolites formation	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID26362	Ionization constant (pKa)	2004	Journal of medicinal chemistry, Feb-26, Volume: 47, Issue:5	Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.
AID444050	Fraction unbound in human plasma	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID681695	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM, Procainamide: 2500 uM) in OCTN2-expressing HRPE cells	1999	The Journal of pharmacology and experimental therapeutics, Sep, Volume: 290, Issue:3	Functional characteristics and tissue distribution pattern of organic cation transporter 2 (OCTN2), an organic cation/carnitine transporter.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1207763	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits	2013	Scientific reports, , Volume: 3	MICE models: superior to the HERG model in predicting Torsade de Pointes.
AID28681	Partition coefficient (logD6.5)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1133919	Hypotensive activity in iv dosed anesthetized dog at higher doses	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID56828	Action potential duration at 3 x 10e-4 M measured at 70% repolarization	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID681146	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells	1998	The Journal of pharmacology and experimental therapeutics, Jul, Volume: 286, Issue:1	Functional characterization of an organic cation transporter (hOCT1) in a transiently transfected human cell line (HeLa).
AID75914	Concentration which gives a 20% decrease in contractile force on papillary muscle of guinea pig, activity was expressed as EC-20.; NR is not reached.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID187367	Plasma concentration in rat 2 hr after administration at a dose of 25 mg/kg	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1776039	Stability of compound in human plasma assessed as half life at 20 uM incubated for 3 hrs by LC-MS (SIM) assay	2021	Journal of medicinal chemistry, 04-22, Volume: 64, Issue:8	Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
AID22811	The maximum change from control in the rate of rise of phase 0 of the action potential at 10 uM concentration on Canine Purkinje fibers.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID679293	TP_TRANSPORTER: inhibition pramipexole uptake in rOCT2-injected oocytes	2005	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 33, Issue:4	Transport of the dopamine D2 agonist pramipexole by rat organic cation transporters OCT1 and OCT2 in kidney.
AID588966	Substrates of transporters of clinical importance in the absorption and disposition of drugs, OCT2	2010	Nature reviews. Drug discovery, Mar, Volume: 9, Issue:3	Membrane transporters in drug development.
AID76706	Parasympatholytic activity was assessed from the ability to inhibit electrically stimulated contraction of isolated guinea pig ileum at 4 mg/L of base	1984	Journal of medicinal chemistry, Oct, Volume: 27, Issue:10	Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides.
AID187369	Plasma concentration in rat 4 hr after administration at a dose of 25 mg/kg	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1217707	Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID678996	TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells	2002	The Journal of pharmacology and experimental therapeutics, Dec, Volume: 303, Issue:3	The cation transporters rOCT1 and rOCT2 interact with bicarbonate but play only a minor role for amantadine uptake into rat renal proximal tubules.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID61725	Percent change of resting potential at 3 x 10e-4 M in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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]
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).
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).
AID444052	Hepatic clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID29423	HPLC capacity factor (k')	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID28235	Unbound fraction (plasma)	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID60182	Effective refractory period when no compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID275611	Positive chronotropic activity in isolated guinea pig right atrium relative to control	2007	Journal of medicinal chemistry, Jan-25, Volume: 50, Issue:2	Novel quinolizidinyl derivatives as antiarrhythmic agents.
AID1133915	Reduction in heart rate in anesthetized acute myocardial infarction dog model at 20 mg/kg, iv administered 10 mins prior to infarction (Rvb = 6 bpm)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID134757	The compound was tested for acute toxicity when given intraperitoneally in mouse	1987	Journal of medicinal chemistry, May, Volume: 30, Issue:5	Synthesis and antiarrhythmic activity of new 3-[2-(omega-aminoalkoxy)phenoxy]-4-phenyl-3-buten-2-ones and related compounds.
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
AID56999	Percent change of action potential duration at 3 x 10e-4 M, measured at 95% repolarization in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID681974	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 5 uM, Procainamide: 1000 uM) in OCT2-expressing HEK293 cells	2002	Journal of the American Society of Nephrology : JASN, Jul, Volume: 13, Issue:7	cDNA cloning, functional characterization, and tissue distribution of an alternatively spliced variant of organic cation transporter hOCT2 predominantly expressed in the human kidney.
AID56858	Maximum percent change in repolarization at 100 uM concentration on Canine Purkinje fibers.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID444055	Fraction absorbed in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID7783	Unbound fraction (plasma)	2004	Journal of medicinal chemistry, Feb-26, Volume: 47, Issue:5	Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.
AID56846	Action potential duration at 3 x 10e-4 M measured at 95% repolarization in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID56830	Percent change of action potential duration at 3 x 10e-4 M, measured at 70% repolarization	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID491148	Negative inotropic activity against potassium-induced contraction in guinea pig left atrium assessed as decrease in developed tension at 0.5 uM relative to control	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12	Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.
AID682272	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM Procainamide: 5000 uM) in OCTN2-expressing HeLa cells	1998	Biochemical and biophysical research communications, May-29, Volume: 246, Issue:3	cDNA sequence, transport function, and genomic organization of human OCTN2, a new member of the organic cation transporter family.
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).
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]
AID19424	Partition coefficient (logD7.4)	2001	Journal of medicinal chemistry, Jul-19, Volume: 44, Issue:15	ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.
AID178118	Antiarrhythmic activity ( protection against CaCl2 induced ventricular fibrillation ) in anesthetized rat administered intravenously	1987	Journal of medicinal chemistry, May, Volume: 30, Issue:5	Synthesis and antiarrhythmic activity of new 3-[2-(omega-aminoalkoxy)phenoxy]-4-phenyl-3-buten-2-ones and related compounds.
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.
AID1146772	Dissociation constant, pKa of the compound	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	P-Aminobenzoic acid derivatives as inhibitors of the cell-free H2-pteroate synthesizing system of Escherichia coli.
AID1133881	Antiarrhythmic activity in anesthetized acute myocardial infarction dog model assessed as normal ECG complexes at 40 mg/kg, iv administered 10 mins prior to infarction measured during 1-hr postinfarction period (Rvb = 19%)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID29359	Ionization constant (pKa)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID56985	Percent change in repolarization at 10 Purkinje fibers.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID56849	Action potential duration when no compound was administered in Canine Purkinje fibers measured at 95% repolarization	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID361986	Lipophilicity, log D of compound at pH 7.4 by shake flask method	2008	Journal of medicinal chemistry, Aug-28, Volume: 51, Issue:16	Determination of log D via automated microfluidic liquid-liquid extraction.
AID31933	Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
AID681584	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HRPE cells	2000	American journal of physiology. Renal physiology, Sep, Volume: 279, Issue:3	Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney.
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.
AID56860	Maximum percent change in repolarization at 10 uM concentration on Canine Purkinje fibers.	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
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.
AID56083	Maximum percent change in conduction time (CT) at 100 uM concentration tested on Canine ventricular muscle fibre	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID275596	Activity against alternating current-induced arrhythmia in guinea pig left atrium at 50 uM	2007	Journal of medicinal chemistry, Jan-25, Volume: 50, Issue:2	Novel quinolizidinyl derivatives as antiarrhythmic agents.
AID275639	Negative inotropic activity assessed as decrease in developed tension in isolated guinea pig left atrium	2007	Journal of medicinal chemistry, Jan-25, Volume: 50, Issue:2	Novel quinolizidinyl derivatives as antiarrhythmic agents.
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.
AID58609	Evaluated for ouabain-induced arrhythmia in anesthetized adult male mongrel dogs. Administered intravenously.	1984	Journal of medicinal chemistry, Oct, Volume: 27, Issue:10	Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides.
AID275614	Inhibition of calcium-induced contraction of potassium ion depolarized guinea pig aortic strips at 100 uM	2007	Journal of medicinal chemistry, Jan-25, Volume: 50, Issue:2	Novel quinolizidinyl derivatives as antiarrhythmic agents.
AID444051	Total clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID491141	Negative inotropic activity against potassium-induced contraction in guinea pig left atrium assessed as decrease in developed tension	2010	Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12	Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.
AID682297	TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.010? uM, Procainamide: 500 uM) in OCTN2-expressing HEK293 cells	1999	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 291, Issue:2	Na(+)-dependent carnitine transport by organic cation transporter (OCTN2): its pharmacological and toxicological relevance.
AID60838	Percent change from control in the functional refractory period (FRP) at 10 uM concentration on Canine ventricular muscle fibre; value ranges from 2-17	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID681973	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 5 uM, Procainamide: 1000 uM) in OCT2A-expressing HEK293 cells	2002	Journal of the American Society of Nephrology : JASN, Jul, Volume: 13, Issue:7	cDNA cloning, functional characterization, and tissue distribution of an alternatively spliced variant of organic cation transporter hOCT2 predominantly expressed in the human kidney.
AID444056	Fraction escaping gut-wall elimination in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID63283	Maximal upstroke velocity when no compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1217705	Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1199269	Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintil	2015	Journal of medicinal chemistry, Mar-26, Volume: 58, Issue:6	Targeting DNA methylation with small molecules: what's next?
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).
AID681171	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes	1997	DNA and cell biology, Jul, Volume: 16, Issue:7	Cloning and characterization of two human polyspecific organic cation transporters.
AID22801	Percent change from control in the rate of rise of phase 0 of the action potential at 10 uM concentration on Canine Purkinje fibers; value ranges from 8.0-4.0	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
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).
AID681157	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes	1994	Nature, Dec-08, Volume: 372, Issue:6506	Drug excretion mediated by a new prototype of polyspecific transporter.
AID1217728	Intrinsic clearance for reactive metabolites formation per mg of protein based on cytochrome P450 (unknown origin) inactivation rate by TDI assay	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID60427	Effect on ouabain-induced arrhythmias in pentobarbital anesthetized dogs	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID60181	Effective refractory period at 3 x 10e-4 M in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID243151	Inhibitory concentration against potassium channel HERG	2005	Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11	A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.
AID444054	Oral bioavailability in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID63425	Percent change in maximal upstroke velocity when 3*10e-4 M compound was administered in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID1133894	Effect on cardiac conduction in anesthetized acute myocardial infarction dog model assessed as increase in PR interval at 20 mg/kg, iv administered 10 mins prior to infarction measured after 10 mins (Rvb = 0 ms)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID781328	pKa (acid-base dissociation constant) as determined by Luan ref: Pharm. Res. 2005	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1217708	Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID184788	The compound was tested for acute toxicity when given intravenously in rat	1987	Journal of medicinal chemistry, May, Volume: 30, Issue:5	Synthesis and antiarrhythmic activity of new 3-[2-(omega-aminoalkoxy)phenoxy]-4-phenyl-3-buten-2-ones and related compounds.
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.
AID56087	Maximum percent change in conduction time (CT) at 1 uM concentration tested on Canine ventricular muscle fibre	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
AID1217704	Time dependent inhibition of CYP1A2 (unknown origin) at 100 uM by LC/MS system	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID60088	Sodium channel inactivating potency at 3*10e-4 M	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
AID444058	Volume of distribution at steady state in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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.
AID1133918	Myocardial depressant activity in iv dosed anesthetized dog at higher doses	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
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).
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.
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.
AID1217711	Metabolic activation in human liver microsomes assessed as [3H]GSH adduct formation rate measured per mg of protein at 100 uM by [3H]GSH trapping assay	2011	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7	Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
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).
AID1133914	Reduction in heart rate in anesthetized acute myocardial infarction dog model at 40 mg/kg, iv administered 10 mins prior to infarction (Rvb = 6 bpm)	1977	Journal of medicinal chemistry, Mar, Volume: 20, Issue:3	2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.
AID60826	Maximum percent change in functional refractory period (FRP) at 100 uM on Canine ventricular muscle fibre; value ranges from 7-26	1989	Journal of medicinal chemistry, Mar, Volume: 32, Issue:3	Heterocyclic analogues of benzamide antiarrhythmic agents.
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.
AID588220	Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset	2008	Toxicology mechanisms and methods, , Volume: 18, Issue:2-3	Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID57676	Percent change of amplitude at 3 x 10e-4 M concentration in Canine Purkinje fibers	1988	Journal of medicinal chemistry, Jul, Volume: 31, Issue:7	Electrophysiologic and antiarrhythmic activities of 4-amino-N-[2-(diethylamino)ethyl]-3,5-dimethylbenzamide, a sterically hindered procainamide analogue.
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.
AID31167	Inhibition of Acetylcholinesterase from human red blood cells	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID28233	Fraction ionized (pH 7.4)	2002	Journal of medicinal chemistry, Jun-20, Volume: 45, Issue:13	Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.
AID31614	Binding affinity against Acetylcholinesterase of human RBC	1997	Journal of medicinal chemistry, Sep-12, Volume: 40, Issue:19	Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.
AID679317	TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes	2005	Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 33, Issue:4	Transport of the dopamine D2 agonist pramipexole by rat organic cation transporters OCT1 and OCT2 in kidney.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
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.
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.
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.
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.
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.
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.
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.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
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.
AID1159537	qHTS screening for TAG (triacylglycerol) accumulators in algae	2017	Plant physiology, Aug, Volume: 174, Issue:4	Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.
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.
AID1799782	Inhibitor Screening Assay from Article 10.1074/jbc.M109.039511: \\Inhibition of AcpA phosphatase activity with ascorbate attenuates Francisella tularensis intramacrophage survival.\\	2010	The Journal of biological chemistry, Feb-19, Volume: 285, Issue:8	Inhibition of AcpA phosphatase activity with ascorbate attenuates Francisella tularensis intramacrophage survival.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	2500 (75.71)	18.7374
1990's	464 (14.05)	18.2507
2000's	188 (5.69)	29.6817
2010's	116 (3.51)	24.3611
2020's	34 (1.03)	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	174 (4.82%)	5.53%
Reviews	314 (8.69%)	6.00%
Case Studies	387 (10.71%)	4.05%
Observational	3 (0.08%)	0.25%
Other	2,734 (75.69%)	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
Multicenter Study for the Prevention of Post-Operative Cardiac Arrhythmias[NCT04234906]	Phase 4	870 participants (Anticipated)	Interventional	2023-01-31	Not yet recruiting
Antiarrhythmic Therapy Versus Catheter Ablation as First Line Treatment for AICD Shock Prevention: A Randomized Vanguard Pilot Trial[NCT02114528]	Phase 4	40 participants (Anticipated)	Interventional	2014-10-31	Terminated(stopped due to Low recruitment. Pilot trial.)
RAFF4 Trial: Vernakalant vs. Procainamide for Acute Atrial Fibrillation in the Emergency Department[NCT04485195]	Phase 4	340 participants (Anticipated)	Interventional	2021-06-17	Recruiting
Management of Supraventricular Tachycardia of Children Admitted to Assiut University Children Hospital(Clinical Audit)[NCT03528616]		50 participants (Anticipated)	Observational [Patient Registry]	2018-05-15	Not yet recruiting
ST-segment Elevation With Procainamide as an ECG Endophenotype of AF[NCT01205529]		161 participants (Actual)	Interventional	2010-11-30	Completed
Ajmaline Utilization in the Diagnosis and Treatment of Cardiac Arrhythmias[NCT00702117]	Phase 4	123 participants (Actual)	Interventional	2008-06-30	Completed
Acute Mechanical Response to Anti-arrhythmic Drug Therapy[NCT02575534]		0 participants (Actual)	Interventional	2015-10-31	Withdrawn(stopped due to No enrollment in study.)
[NCT00000556]	Phase 3	0 participants	Interventional	1995-03-31	Completed
A Randomized Crossover Trial to Evaluate Electrical Versus Chemical Cardioversion in Patients With Acute Atrial Fibrillation[NCT01994070]	Phase 3	86 participants (Actual)	Interventional	2013-11-30	Completed
[NCT00000464]	Phase 3	0 participants	Interventional	1987-04-30	Completed
[NCT00000518]	Phase 3	0 participants	Interventional	1985-07-31	Completed
Comparison of Intravenous Amiodarone Versus Intravenous Procainamide for the Acute Treatment of Regular and Haemodynamically Well Tolerated Wide QRS Tachycardia (Probably of Ventricular Origen). The PROCAMIO Multicenter Study[NCT00383799]	Phase 4	302 participants (Actual)	Interventional	2005-09-30	Terminated(stopped due to Steering Committee decision after inclusion of 74 patients after 6 years and very slow inclusion rate)
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	Participants (Count of Participants)
Atrial Fibrillation With ST Changes on Electrocardiogram	4

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
4-hydroxybenzoic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
p-aminohippuric acid	[no description available]	medium	13	0	N-acylglycine	Daphnia magna metabolite
benzocaine	[no description available]	medium	8	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
aniline	[no description available]	medium	2	0	anilines; primary arylamine
4-aminopropiophenone	[no description available]	medium	1	0
4-aminoacetophenone	[no description available]	medium	1	0
4-toluidine	[no description available]	medium	1	0	aminotoluene
methyl 4-aminobenzoate	[no description available]	medium	1	0
4-aminophenylacetic acid	[no description available]	medium	1	0
4-aminobenzamide	[no description available]	medium	1	0	benzamides
4-aminobenzoylglutamic acid	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; N-acyl-L-alpha-amino acid; substituted aniline
phenytoin	[no description available]	high	348	8	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
phenytoin	[no description available]	high	348	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
lidocaine	[no description available]	high	587	16	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
lidocaine	[no description available]	high	587	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
quinidine	[no description available]	high	869	27	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
quinidine	[no description available]	high	869	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
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
quinacrine	[no description available]	medium	15	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
gallopamil	[no description available]	medium	1	0	benzenes; organic amino compound
4-aminopyridine	[no description available]	medium	4	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
4-aminopyridine	[no description available]	medium	4	1	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
8-(4-sulfophenyl)theophylline	[no description available]	medium	1	0
8-phenyltheophylline	[no description available]	medium	1	0
theophylline	[no description available]	medium	43	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
theophylline	[no description available]	medium	43	1	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
amitriptyline	[no description available]	medium	24	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
anisindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist
baclofen	[no description available]	medium	7	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bepridil	[no description available]	high	12	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
biperiden	[no description available]	medium	4	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bupivacaine	[no description available]	medium	9	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	11	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
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
caffeine	[no description available]	medium	29	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	153	0	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	medium	153	4	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine	[no description available]	high	23	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
chlordiazepoxide	[no description available]	medium	13	0	benzodiazepine
chlorpheniramine	[no description available]	medium	21	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	53	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cimetidine	[no description available]	medium	57	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cimetidine	[no description available]	medium	57	2	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clomipramine	[no description available]	medium	13	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cyproheptadine	[no description available]	medium	4	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
desipramine	[no description available]	medium	30	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diazepam	[no description available]	medium	27	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazepam	[no description available]	medium	27	1	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	high	13	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
dibucaine	[no description available]	medium	8	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dicyclomine	[no description available]	medium	3	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diphenidol	[no description available]	medium	2	0	benzenes; piperidines; tertiary alcohol	antiemetic
dilazep	[no description available]	medium	1	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
diphenhydramine	[no description available]	medium	25	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
dipyridamole	[no description available]	high	10	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
doxepin	[no description available]	medium	9	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol	[no description available]	medium	9	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
etazolate	[no description available]	medium	1	0	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor
felodipine	[no description available]	medium	15	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
flufenamic acid	[no description available]	medium	5	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine	[no description available]	medium	7	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumazenil	[no description available]	medium	11	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
haloperidol	[no description available]	medium	22	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hydroxyzine	[no description available]	medium	12	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ici 118551	[no description available]	medium	1	0	indanes
imipramine	[no description available]	medium	36	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	19	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
indomethacin	[no description available]	medium	19	1	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
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
loperamide	[no description available]	medium	7	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
mepivacaine	[no description available]	medium	8	0	piperidinecarboxamide	drug allergen; local anaesthetic
benzoic acid [2-methyl-2-(propylamino)propyl] ester	[no description available]	medium	1	0	benzoate ester
metoprolol	[no description available]	medium	28	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; 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
nifedipine	[no description available]	medium	24	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nifedipine	[no description available]	medium	24	1	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nisoldipine	[no description available]	medium	9	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrendipine	[no description available]	medium	14	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nortriptyline	[no description available]	medium	17	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxethazaine	[no description available]	medium	2	0	amino acid amide
benoxinate	[no description available]	medium	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
papaverine	[no description available]	medium	14	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentobarbital	[no description available]	medium	18	0	barbiturates	GABAA receptor agonist
pheniramine	[no description available]	medium	2	0	pyridines; tertiary amino compound
phenobarbital	[no description available]	medium	37	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	medium	37	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenoxybenzamine	[no description available]	medium	5	0	aromatic amine
practolol	[no description available]	high	24	2	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
practolol	[no description available]	high	24	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
pramoxine	[no description available]	medium	1	0	aromatic ether; morpholines	local anaesthetic
prazosin	[no description available]	medium	15	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
prilocaine	[no description available]	medium	4	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
proadifen	[no description available]	medium	2	0	diarylmethane
procaine	[no description available]	medium	208	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procaine	[no description available]	medium	208	2	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
promazine	[no description available]	medium	10	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
promethazine	[no description available]	medium	17	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
proxymetacaine	[no description available]	medium	1	0	benzoate ester
protriptyline	[no description available]	medium	6	0	carbotricyclic compound	antidepressant
pyrilamine	[no description available]	medium	6	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	0	methoxybenzenes
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
secobarbital	[no description available]	medium	6	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
sotalol	[no description available]	high	60	14	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sotalol	[no description available]	high	60	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
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
tetracaine	[no description available]	medium	11	0	benzoate ester; tertiary amino compound	local anaesthetic
tetracaine	[no description available]	medium	11	1	benzoate ester; tertiary amino compound	local anaesthetic
thioridazine	[no description available]	medium	17	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
trazodone	[no description available]	medium	14	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trequinsin	[no description available]	medium	1	0	pyridopyrimidine
trifluoperazine	[no description available]	medium	4	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
reserpine	[no description available]	medium	41	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
phentolamine	[no description available]	medium	13	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
hexobendine	[no description available]	medium	1	0	trihydroxybenzoic acid
dichloroisoproterenol	[no description available]	medium	3	0
tetraethylammonium chloride	[no description available]	medium	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
tetrabenazine	[no description available]	medium	3	0	benzoquinolizine; cyclic ketone; tertiary amino compound
piperoxan	[no description available]	medium	1	0
nifenalol	[no description available]	medium	2	0	C-nitro compound
brompheniramine	[no description available]	medium	4	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
propoxycaine	[no description available]	medium	2	0	benzoate ester
dimethisoquin	[no description available]	medium	1	0	isoquinolines
parethoxycaine	[no description available]	medium	1	0	benzoate ester
yohimbine	[no description available]	medium	4	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
prenylamine	[no description available]	medium	9	0	diarylmethane
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
hexylcaine	[no description available]	medium	1	0	benzoate ester
piperocaine	[no description available]	medium	1	0	benzoate ester
diperodon	[no description available]	medium	1	0	carbamate ester
cyclomethycaine	[no description available]	medium	1	0	benzoate ester
carcainium chloride	[no description available]	medium	1	0
azacyclonol	[no description available]	medium	1	0	diarylmethane
butoxamine	[no description available]	medium	1	0
dexpropranolol	[no description available]	medium	1	0	propranolol
iprindole	[no description available]	medium	3	0	indoles
carticaine	[no description available]	medium	1	0	thiophenecarboxylic acid
timolol	[no description available]	high	18	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
butaclamol	[no description available]	medium	1	0	organic heteropentacyclic compound
etidocaine	[no description available]	medium	3	0	amino acid amide	local anaesthetic
diltiazem	[no description available]	medium	27	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
Arbaclofen	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
colforsin	[no description available]	high	2	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
opromazine	[no description available]	medium	1	0	phenothiazines
corynanthine	[no description available]	medium	1	0	yohimban alkaloid
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
w 7	[no description available]	medium	1	0
2-n-butyl-3-(dimethylamino)-5,6-methylenedioxyindene	[no description available]	medium	1	0
rac 109	[no description available]	medium	1	0
atropine	[no description available]	medium	110	0
atropine	[no description available]	medium	110	1
strychnine	[no description available]	medium	3	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
cocaine	[no description available]	high	22	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
diethylstilbestrol	[no description available]	medium	4	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
rauwolscine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
chlorprothixene	[no description available]	medium	4	0	chlorprothixene
flunarizine	[no description available]	medium	2	0	diarylmethane
thiothixene	[no description available]	medium	4	0	N-methylpiperazine	anticoronaviral agent
cinnarizine	[no description available]	medium	3	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
quinine	[no description available]	medium	45	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
codeine	[no description available]	medium	14	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
morphine	[no description available]	medium	27	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
levorphanol	[no description available]	medium	2	0	morphinane alkaloid
dextrorphan	[no description available]	medium	1	0	morphinane alkaloid
zimeldine	[no description available]	medium	4	0	styrenes
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	5	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
scopolamine hydrobromide	[no description available]	medium	15	0
scopolamine hydrobromide	[no description available]	medium	15	1
metoclopramide	[no description available]	high	33	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
acecainide	[no description available]	high	241	11	acetamides; benzamides	anti-arrhythmia drug
acecainide	[no description available]	high	241	0	acetamides; benzamides	anti-arrhythmia drug
disopyramide	[no description available]	high	201	14	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disopyramide	[no description available]	high	201	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
changrolin	[no description available]	medium	2	0
tetraethylammonium	[no description available]	medium	27	0	quaternary ammonium ion
corticosterone	[no description available]	medium	9	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
tetramethylammonium chloride	[no description available]	medium	5	0	organic molecular entity
tetrapentylammonium	[no description available]	medium	5	0	quaternary ammonium ion
1-methyl-4-phenylpyridinium	[no description available]	medium	18	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
n-methylnicotinamide	[no description available]	medium	17	0	pyridinecarboxamide	metabolite
metiprenaline	[no description available]	medium	4	0
penicillin v	[no description available]	medium	4	0	1,1'-diethyl-2,2'-cyanine; quinolines
cyanine 863	[no description available]	medium	4	0
choline	[no description available]	medium	19	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
clonidine	[no description available]	medium	23	0	clonidine; imidazoline
thymidine	[no description available]	medium	3	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
taurocholic acid	[no description available]	medium	8	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
vecuronium	[no description available]	medium	3	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
pancuronium	[no description available]	medium	4	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
inosine	[no description available]	medium	3	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanidine	[no description available]	medium	11	0	carboxamidine; guanidines; one-carbon compound
edrophonium	[no description available]	medium	9	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
amphetamine	[no description available]	medium	13	0	primary amine
methamphetamine	[no description available]	medium	8	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
nicotine	[no description available]	medium	32	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
acebutolol	[no description available]	high	24	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
amantadine	[no description available]	medium	21	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
midazolam	[no description available]	medium	15	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
carnitine	[no description available]	medium	8	0	amino-acid betaine	human metabolite; mouse metabolite
putrescine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
spermidine	[no description available]	medium	1	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
spermine	[no description available]	medium	1	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
ofloxacin	[no description available]	medium	18	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
ofloxacin	[no description available]	medium	18	2	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
cephaloridine	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
penicillin g	[no description available]	medium	11	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
lysine	[no description available]	medium	3	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
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
levofloxacin	[no description available]	medium	18	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
levofloxacin	[no description available]	medium	18	1	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
thiamine	[no description available]	medium	12	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
betaine	[no description available]	medium	4	0	amino-acid betaine; glycine derivative	fundamental metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	4	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
tetrahexylammonium	[no description available]	medium	1	0
propionylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
acetylcarnitine	[no description available]	medium	4	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
alpha-ketoglutaric acid	[no description available]	medium	3	0	oxo dicarboxylic acid	fundamental metabolite
creatine	[no description available]	medium	3	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
creatine	[no description available]	medium	3	1	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
niacin	[no description available]	medium	11	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
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
furosemide	[no description available]	medium	34	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
lomefloxacin	[no description available]	medium	6	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
norfloxacin	[no description available]	medium	8	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	27	0	benzoic acids; sulfonamide	uricosuric drug
probenecid	[no description available]	medium	27	1	benzoic acids; sulfonamide	uricosuric drug
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
cephalothin	[no description available]	medium	5	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
pivalic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; methyl-branched fatty acid; short-chain fatty acid
emetine	[no description available]	medium	10	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
cephaloglycin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
zidovudine	[no description available]	medium	17	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
sparfloxacin	[no description available]	medium	10	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
grepafloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
glycylsarcosine	[no description available]	medium	2	0	dipeptide zwitterion; dipeptide
carnosine	[no description available]	medium	1	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
trimethyllysine	[no description available]	medium	1	0	alpha-amino-acid cation	human metabolite; mouse metabolite
dactinomycin	[no description available]	medium	5	0	actinomycin	mutagen
cefsulodin	[no description available]	medium	1	0	cephalosporin; organosulfonic acid; primary carboxamide	antibacterial drug
vitamin u	[no description available]	medium	1	0	methyl-L-methionine; sulfonium betaine
5-dimethylamiloride	[no description available]	medium	1	0
amiloride	[no description available]	high	9	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
coumarin	[no description available]	medium	2	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid	[no description available]	medium	5	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
tacrine	[no description available]	medium	10	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen	[no description available]	medium	31	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
albuterol	[no description available]	medium	12	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprazolam	[no description available]	medium	10	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	high	18	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amiodarone	[no description available]	medium	153	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amiodarone	[no description available]	medium	153	17	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amlodipine	[no description available]	medium	13	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
aspirin	[no description available]	high	17	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	high	19	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
atenolol	[no description available]	high	19	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
betaxolol	[no description available]	medium	11	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	3	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bisoprolol	[no description available]	high	13	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
bumetanide	[no description available]	medium	14	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
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	12	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	11	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chloroquine	[no description available]	medium	22	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	13	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	14	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	13	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	13	0	diarylmethane
cifenline	[no description available]	medium	13	3	diarylmethane
cisapride	[no description available]	high	8	0	benzamides
citalopram	[no description available]	medium	15	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clobazam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clonazepam	[no description available]	medium	6	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
nordazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diclofenac	[no description available]	medium	15	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
diflunisal	[no description available]	medium	12	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
domperidone	[no description available]	medium	12	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	8	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	7	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etilefrine	[no description available]	medium	4	0	phenols
etodolac	[no description available]	medium	4	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenfluramine	[no description available]	medium	5	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
berotek	[no description available]	medium	6	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
flecainide	[no description available]	high	70	1	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
flecainide	[no description available]	high	70	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	13	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	12	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flunitrazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	14	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	14	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	7	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemfibrozil	[no description available]	medium	10	0	aromatic ether	antilipemic drug
glipizide	[no description available]	medium	12	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]	high	17	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
hexobarbital	[no description available]	medium	4	0	barbiturates
hydralazine	[no description available]	medium	127	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	13	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
ibuprofen	[no description available]	medium	14	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
amrinone	[no description available]	medium	13	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
isoniazid	[no description available]	medium	72	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	114	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoproterenol	[no description available]	medium	114	3	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	8	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	8	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen	[no description available]	medium	11	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
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
labetalol	[no description available]	high	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
lansoprazole	[no description available]	medium	12	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine	[no description available]	medium	4	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lorazepam	[no description available]	medium	11	0	benzodiazepine
mabuterol	[no description available]	medium	1	0	(trifluoromethyl)benzenes
maprotiline	[no description available]	medium	12	0	anthracenes
mebendazole	[no description available]	medium	9	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meperidine	[no description available]	medium	27	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
metaproterenol	[no description available]	medium	12	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
methadone	[no description available]	medium	14	0	benzenes; diarylmethane; ketone; tertiary amino compound
metronidazole	[no description available]	medium	17	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mexiletine	[no description available]	high	91	12	aromatic ether; primary amino compound	anti-arrhythmia drug
mexiletine	[no description available]	high	91	0	aromatic ether; primary amino compound	anti-arrhythmia drug
milrinone	[no description available]	high	8	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	10	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	9	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nabumetone	[no description available]	medium	5	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nevirapine	[no description available]	medium	11	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	11	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nilvadipine	[no description available]	medium	1	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimodipine	[no description available]	medium	12	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
nitrazepam	[no description available]	medium	10	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nizatidine	[no description available]	medium	11	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	15	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	12	0	carbazoles
oxaprozin	[no description available]	medium	5	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	10	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxprenolol	[no description available]	medium	9	0	aromatic ether
oxprenolol	[no description available]	medium	9	1	aromatic ether
pentoxifylline	[no description available]	medium	11	0	oxopurine
perphenazine	[no description available]	medium	12	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenolphthalein	[no description available]	medium	3	0	phenols
phenylbutazone	[no description available]	medium	12	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
pindolol	[no description available]	medium	16	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pirenzepine	[no description available]	medium	2	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
primaquine	[no description available]	medium	11	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	9	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probucol	[no description available]	medium	3	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
prochlorperazine	[no description available]	medium	11	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
prochlorperazine	[no description available]	medium	11	1	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	5	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
propafenone	[no description available]	high	48	10	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propafenone	[no description available]	high	48	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	high	383	8	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propranolol	[no description available]	high	383	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
raloxifene	[no description available]	medium	3	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	18	0	aralkylamine
riluzole	[no description available]	medium	6	0	benzothiazoles
risperidone	[no description available]	medium	17	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	13	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	13	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfinpyrazone	[no description available]	medium	5	0	pyrazolidines; sulfoxide	uricosuric drug
sulfisoxazole	[no description available]	medium	9	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulpiride	[no description available]	high	9	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan	[no description available]	medium	15	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
temazepam	[no description available]	medium	4	0	benzodiazepine
terazosin	[no description available]	medium	10	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	15	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tizanidine	[no description available]	medium	10	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	14	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin	[no description available]	medium	4	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
ultram	[no description available]	medium	10	0	aromatic ether; tertiary alcohol; tertiary amino compound
triamterene	[no description available]	medium	10	0	pteridines	diuretic; sodium channel blocker
triazolam	[no description available]	medium	10	0	triazolobenzodiazepine	sedative
trimethoprim	[no description available]	medium	24	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimethoprim	[no description available]	medium	24	1	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	5	0	piperazines
venlafaxine	[no description available]	medium	12	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
prednisolone	[no description available]	medium	14	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
spironolactone	[no description available]	medium	10	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	36	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
chloramphenicol	[no description available]	medium	21	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	8	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
phenylephrine	[no description available]	medium	17	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	5	0	penicillin	antibacterial agent; antibacterial drug
norethindrone	[no description available]	medium	4	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
methylprednisolone	[no description available]	medium	13	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	11	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	9	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
chlormethiazole	[no description available]	medium	6	0	thiazoles
ethambutol	[no description available]	medium	8	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	8	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
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	8	0	dichlorobenzene; penicillin	antibacterial drug
zalcitabine	[no description available]	medium	8	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
selegiline	[no description available]	medium	12	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
indoramin	[no description available]	medium	6	0	tryptamines
moricizine	[no description available]	high	17	3	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
moricizine	[no description available]	high	17	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
medifoxamine	[no description available]	medium	1	0	aromatic ether
dobutamine	[no description available]	medium	8	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
penbutolol	[no description available]	medium	3	0	ethanolamines
tocainide	[no description available]	high	47	2	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
tocainide	[no description available]	high	47	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	11	0
sq-11725	[no description available]	medium	11	1
meptazinol	[no description available]	medium	3	0	azepanes
prenalterol	[no description available]	medium	2	0	aromatic ether
lorcainide	[no description available]	medium	23	0	acetamides
lorcainide	[no description available]	medium	23	1	acetamides
paroxetine	[no description available]	medium	11	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	14	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
encainide	[no description available]	high	29	2	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
encainide	[no description available]	high	29	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
lovastatin	[no description available]	medium	11	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	6	0	aromatic ketone
simvastatin	[no description available]	medium	9	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	5	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	3	0	aromatic compound
uk 68798	[no description available]	medium	20	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
bufuralol	[no description available]	medium	5	0	benzofurans
epanolol	[no description available]	medium	1	0	acetamides
methotrimeprazine	[no description available]	medium	6	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	8	0	hydroxy-1,2-naphthoquinone
methotrexate	[no description available]	medium	18	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	5	0	morpholines
naproxen	[no description available]	medium	8	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
rimiterol	[no description available]	medium	1	0	catechols
dironyl	[no description available]	medium	1	0	organic molecular entity
tretinoin	[no description available]	medium	5	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
mercaptopurine	[no description available]	medium	10	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
terbinafine	[no description available]	medium	7	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
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
naloxone	[no description available]	medium	14	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
nalbuphine	[no description available]	medium	6	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
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	11	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
naltrexone	[no description available]	medium	7	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
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	18	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
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	22	0	benzenes; hydroxycoumarin; methyl ketone
ajmaline	[no description available]	medium	2	0
clozapine	[no description available]	medium	27	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
olanzapine	[no description available]	medium	10	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	24	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
histamine	[no description available]	medium	16	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
naphthalene	[no description available]	medium	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
antipyrine	[no description available]	medium	13	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
bay h 4502	[no description available]	medium	3	0	biphenyls; imidazoles
bromazepam	[no description available]	medium	6	0	organic molecular entity
clotrimazole	[no description available]	medium	6	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
loratadine	[no description available]	medium	12	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
tiapride	[no description available]	medium	3	0	benzamides
tolnaftate	[no description available]	medium	2	0	monothiocarbamic ester	antifungal drug
trichlormethiazide	[no description available]	medium	4	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
triflupromazine	[no description available]	medium	4	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
hydrocortisone acetate	[no description available]	medium	3	0	cortisol ester; tertiary alpha-hydroxy ketone
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
3-chlorophenol	[no description available]	medium	2	0	monochlorophenol
methylthioinosine	[no description available]	medium	1	0	purine ribonucleoside; thiopurine
3,5-dichlorophenol	[no description available]	medium	1	0	dichlorophenol
lormetazepam	[no description available]	medium	6	0	1,4-benzodiazepinone; organochlorine compound	sedative
fentanyl citrate	[no description available]	medium	1	0	citrate salt	mu-opioid receptor agonist; opioid analgesic
thiamphenicol	[no description available]	medium	5	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
tiotidine	[no description available]	medium	1	0	thiazoles
zaltidine	[no description available]	medium	1	0
griseofulvin	[no description available]	medium	7	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
nitrofurazone	[no description available]	medium	3	0
nifuroxime	[no description available]	medium	2	0
morphine sulfate	[no description available]	medium	1	0	alkaloid sulfate salt
tetrapropylammonium	[no description available]	medium	3	0	quaternary ammonium ion
tetrabutylammonium	[no description available]	medium	3	0	quaternary ammonium ion
azelastine	[no description available]	medium	6	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
fentanyl	[no description available]	medium	12	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
itraconazole	[no description available]	medium	12	0	piperazines
nefazodone	[no description available]	medium	13	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
colchicine	[no description available]	medium	11	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
ergotamine	[no description available]	medium	8	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
paclitaxel	[no description available]	medium	13	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
tebufelone	[no description available]	medium	2	0
tolterodine	[no description available]	medium	9	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
tyramine	[no description available]	medium	6	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
gentian violet	[no description available]	medium	2	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
propofol	[no description available]	medium	10	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
trimipramine	[no description available]	medium	9	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
galantamine	[no description available]	medium	7	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
chlordesmethyldiazepam	[no description available]	medium	3	0	benzodiazepine
amitriptyline n-oxide	[no description available]	medium	1	0	organic tricyclic compound
tolamolol	[no description available]	medium	3	0
sufentanil	[no description available]	medium	7	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
alfentanil	[no description available]	medium	10	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
remoxipride	[no description available]	medium	7	0	dimethoxybenzene
atomoxetine	[no description available]	medium	8	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
nebivolol	[no description available]	medium	4	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
voriconazole	[no description available]	medium	6	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
rivastigmine	[no description available]	medium	5	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
zithromax	[no description available]	medium	11	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
oxycodone	[no description available]	medium	5	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
butorphanol	[no description available]	medium	9	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
pramipexole	[no description available]	medium	5	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
alosetron	[no description available]	medium	4	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
astemizole	[no description available]	medium	6	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
cetirizine	[no description available]	medium	8	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
ciprofloxacin	[no description available]	medium	15	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
ciprofloxacin	[no description available]	medium	15	1	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
e 4031	[no description available]	medium	8	0	sulfonamide
ebastine	[no description available]	medium	3	0	organic molecular entity
epinastine	[no description available]	medium	1	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
granisetron	[no description available]	medium	8	0	aromatic amide; indazoles
ketoconazole	[no description available]	medium	13	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
lidoflazine	[no description available]	medium	3	0	diarylmethane
mefloquine hydrochloride	[no description available]	medium	4	0	organofluorine compound; piperidines; quinolines; secondary alcohol
mesoridazine	[no description available]	medium	6	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
gatifloxacin	[no description available]	medium	8	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terfenadine	[no description available]	medium	11	0	diarylmethane
halofantrine	[no description available]	medium	5	0	phenanthrenes
sertindole	[no description available]	medium	4	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
ibutilide	[no description available]	medium	15	0	benzenes; organic amino compound
ibutilide	[no description available]	medium	15	3	benzenes; organic amino compound
ziprasidone	[no description available]	medium	8	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
mizolastine	[no description available]	medium	3	0	benzimidazoles
terikalant	[no description available]	medium	2	0	piperidines
clarithromycin	[no description available]	medium	12	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	10	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
dolasetron	[no description available]	medium	3	0	indolyl carboxylic acid
azimilide	[no description available]	medium	4	0	imidazolidine-2,4-dione
sildenafil	[no description available]	medium	10	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
bupropion	[no description available]	medium	6	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	6	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	3	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	7	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	4	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
anastrozole	[no description available]	medium	5	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	12	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
bicalutamide	[no description available]	medium	5	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
busulfan	[no description available]	medium	11	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	7	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
chlormezanone	[no description available]	medium	4	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
ciclopirox	[no description available]	medium	2	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
cinoxacin	[no description available]	medium	3	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
clofazimine	[no description available]	medium	5	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	3	0	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
econazole	[no description available]	medium	2	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	2	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	4	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
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	6	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	4	0	carbamate ester	anticonvulsant; neuroprotective agent
fexofenadine	[no description available]	medium	5	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fluphenazine depot	[no description available]	medium	2	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate	[no description available]	medium	2	0	phenothiazines
flutamide	[no description available]	medium	11	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
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	7	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	8	0	sulfonamide
guanfacine	[no description available]	medium	7	0	acetamides
halothane	[no description available]	medium	13	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hydroxyurea	[no description available]	medium	12	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	9	0	primary amine
ifosfamide	[no description available]	medium	7	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
indapamide	[no description available]	medium	7	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iodixanol	[no description available]	medium	1	0	organoiodine compound	radioopaque medium
iohexol	[no description available]	medium	4	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	3	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
losartan	[no description available]	high	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
meclofenamic acid	[no description available]	medium	3	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
mefenamic acid	[no description available]	medium	7	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
mesalamine	[no description available]	medium	6	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	15	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
mitoxantrone	[no description available]	medium	9	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nilutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
masoprocol	[no description available]	medium	2	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
pamidronate	[no description available]	medium	4	0	phosphonoacetic acid
pemoline	[no description available]	medium	6	0	1,3-oxazoles	central nervous system stimulant
pentamidine	[no description available]	medium	7	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	4	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
sulconazole	[no description available]	medium	1	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
sulfasalazine	[no description available]	medium	21	0
suprofen	[no description available]	medium	6	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
tazarotene	[no description available]	medium	2	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
thiotepa	[no description available]	medium	8	0	aziridines
ticlopidine	[no description available]	medium	7	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	4	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	5	0
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
zomepirac	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
floxuridine	[no description available]	medium	4	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
penicillamine	[no description available]	medium	20	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
pilocarpine	[no description available]	medium	8	0	pilocarpine	antiglaucoma drug
vincristine	[no description available]	medium	6	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]	high	16	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
cytarabine	[no description available]	medium	7	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate	[no description available]	medium	3	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	2	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
estradiol dipropionate	[no description available]	medium	2	0	steroid ester
methohexital	[no description available]	medium	4	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
chenodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
levocarnitine	[no description available]	medium	3	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	5	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin	[no description available]	medium	17	0	cyclic ketone; erythromycin
erythromycin	[no description available]	medium	17	1	cyclic ketone; erythromycin
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	3	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	8	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	6	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
beclomethasone	[no description available]	medium	3	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
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	5	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
levamisole	[no description available]	medium	4	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	11	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	7	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	6	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	5	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
cephapirin	[no description available]	medium	3	0	cephalosporin	antibacterial drug
bromocriptine	[no description available]	medium	7	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ursodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
metipranolol	[no description available]	high	3	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
halazepam	[no description available]	medium	3	0	organic molecular entity
cefazolin	[no description available]	medium	8	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	12	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	9	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
etoposide	[no description available]	medium	14	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
ribavirin	[no description available]	medium	10	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	35	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	4	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
permethrin	[no description available]	medium	2	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
torsemide	[no description available]	medium	6	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
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	7	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
cefonicid	[no description available]	medium	2	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	7	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	5	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	4	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
cefadroxil anhydrous	[no description available]	medium	9	0	cephalosporin	antibacterial drug
nedocromil	[no description available]	medium	1	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
cefaclor anhydrous	[no description available]	medium	8	0	cephalosporin	antibacterial drug; drug allergen
cefotetan	[no description available]	medium	7	0
levocabastine	[no description available]	medium	1	0	piperidines
pravastatin	[no description available]	medium	11	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	3	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	7	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	9	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
adapalene	[no description available]	medium	2	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
zileuton	[no description available]	medium	5	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	8	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
topotecan	[no description available]	medium	7	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	4	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
remifentanil	[no description available]	medium	4	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	7	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	11	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	8	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	10	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adenosine	[no description available]	high	15	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
adenosine	[no description available]	high	15	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	2	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	6	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	5	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
antebate	[no description available]	medium	1	0	corticosteroid hormone
flunisolide	[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; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
moexipril	[no description available]	medium	4	0	peptide
docetaxel	[no description available]	medium	4	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
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	10	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
pentostatin	[no description available]	medium	4	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
meropenem	[no description available]	medium	6	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	5	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
saquinavir	[no description available]	medium	11	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	2	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	1	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	2	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	6	0	amino cyclitol; glycoside
mycophenolic acid	[no description available]	medium	5	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
mupirocin	[no description available]	medium	2	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	7	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
teniposide	[no description available]	medium	7	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	6	0	cephalosporin; semisynthetic derivative	antibacterial drug
melphalan	[no description available]	medium	10	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	4	0	penicillin allergen; penicillin	antibacterial drug
cholinophyllin	[no description available]	medium	1	0
fludarabine	[no description available]	medium	4	0	purine nucleoside
propylthiouracil	[no description available]	medium	14	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	2	0
etomidate	[no description available]	medium	8	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
benztropine	[no description available]	medium	3	0	diarylmethane
sulindac	[no description available]	medium	11	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
enclomiphene	[no description available]	medium	1	0
thioguanine anhydrous	[no description available]	medium	4	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	4	0
tamoxifen	[no description available]	medium	13	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
ethionamide	[no description available]	medium	5	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	6	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	6	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	6	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
pulmicort	[no description available]	medium	10	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	4	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	5	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	3	0
epoprostenol	[no description available]	medium	3	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
hydromorphone	[no description available]	medium	4	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
ly 163892	[no description available]	medium	4	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nalmefene	[no description available]	medium	4	0	morphinane alkaloid
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	2	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	7	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
cefixime	[no description available]	medium	10	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	9	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril	[no description available]	medium	2	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ramipril	[no description available]	medium	5	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	9	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	10	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
cefuroxime	[no description available]	medium	6	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	9	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	5	0	cephalosporin; oxime O-ether	antibacterial drug
ceftazidime	[no description available]	medium	7	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril	[no description available]	medium	6	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz	[no description available]	medium	1	0	dichlorobenzene
cefotaxime	[no description available]	medium	5	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	2	0	cephalosporin
cefpodoxime	[no description available]	medium	2	0	carboxylic acid; cephalosporin	antibacterial drug
dirithromycin	[no description available]	medium	1	0	macrolide antibiotic	prodrug
cefpodoxime proxetil	[no description available]	medium	2	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
ceftizoxime	[no description available]	medium	6	0	cephalosporin	antibacterial drug
dantrolene	[no description available]	medium	4	0
fosinopril	[no description available]	medium	5	0
nystatin a1	[no description available]	medium	3	0	nystatins
mesna	[no description available]	medium	4	0	organosulfonic acid
cefamandole nafate	[no description available]	medium	1	0	organic sodium salt	antibacterial drug; prodrug
tetracycline	[no description available]	medium	20	0
minocycline	[no description available]	medium	10	0
piroxicam	[no description available]	medium	9	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
meclocycline	[no description available]	medium	1	0
acyclovir	[no description available]	medium	12	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
rifampin	[no description available]	medium	18	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
didanosine	[no description available]	medium	7	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	10	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valacyclovir	[no description available]	medium	4	0	L-valyl ester	antiviral drug
penciclovir	[no description available]	medium	5	0	2-aminopurines; propane-1,3-diols	antiviral drug
rifabutin	[no description available]	medium	8	0
candesartan	[no description available]	medium	4	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
clofibrate	[no description available]	medium	15	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
dapsone	[no description available]	medium	19	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
avapro	[no description available]	medium	6	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
letrozole	[no description available]	medium	6	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
naratriptan	[no description available]	medium	5	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
pantoprazole	[no description available]	medium	8	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	5	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rofecoxib	[no description available]	medium	5	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	1	0	benzodiazepine
delavirdine	[no description available]	medium	4	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
zaleplon	[no description available]	medium	6	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
physostigmine	[no description available]	medium	14	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
physostigmine	[no description available]	medium	14	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
cloxacillin	[no description available]	medium	4	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
phencyclidine	[no description available]	medium	4	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	6	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	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
endralazine	[no description available]	medium	2	0	benzamides
pirazolac	[no description available]	medium	1	0
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	6	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
zolmitriptan	[no description available]	medium	6	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
emtricitabine	[no description available]	medium	5	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	9	0	piperidines
drospirenone	[no description available]	medium	2	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	4	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
ibuprofen, (r)-isomer	[no description available]	medium	2	0	ibuprofen
almotriptan	[no description available]	medium	4	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
gefitinib	[no description available]	medium	6	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
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
disopyramide, (s)-isomer	[no description available]	medium	2	0
isradipine, (s)-isomer	[no description available]	medium	1	0
olmesartan	[no description available]	medium	3	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
ketoprofen	[no description available]	medium	1	0
digitoxin	[no description available]	medium	62	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
abacavir	[no description available]	medium	5	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
linezolid	[no description available]	medium	7	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
chloramphenicol palmitate	[no description available]	medium	1	0	hexadecanoate ester
tacrolimus	[no description available]	medium	7	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
chloroquine diphosphate	[no description available]	medium	1	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	3	0	zopiclone	central nervous system depressant; sedative
methimazole	[no description available]	medium	7	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
digoxin	[no description available]	high	129	7	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
digoxin	[no description available]	high	129	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
hmr 3647	[no description available]	medium	7	0
tocainide, (s)-isomer	[no description available]	medium	1	0
clavulanic acid	[no description available]	medium	6	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
montelukast	[no description available]	medium	6	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
proscillaridin	[no description available]	medium	2	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
dutasteride	[no description available]	medium	3	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
chlortetracycline	[no description available]	medium	8	0
oxytetracycline, anhydrous	[no description available]	medium	8	0
methacycline	[no description available]	medium	2	0
(S)-warfarin	[no description available]	medium	1	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
vardenafil	[no description available]	medium	5	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	4	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	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	2	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acetazolamide	[no description available]	medium	13	0	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	3	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amsacrine	[no description available]	medium	5	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
bromopride	[no description available]	medium	4	0	benzamides
buflomedil	[no description available]	medium	3	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
metrizoate	[no description available]	medium	3	0	monocarboxylic acid	radioopaque medium
doxapram	[no description available]	medium	4	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
dyphylline	[no description available]	medium	7	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
ethacrynic acid	[no description available]	medium	13	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenspiride	[no description available]	medium	2	0	azaspiro compound
fleroxacin	[no description available]	medium	5	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluorescite	[no description available]	medium	4	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
hydroflumethiazide	[no description available]	medium	6	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	3	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hypericin	[no description available]	medium	2	0
iothalamic acid	[no description available]	medium	2	0	organic molecular entity
ketanserin	[no description available]	medium	7	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
meprobamate	[no description available]	medium	8	0	organic molecular entity
meprobamate	[no description available]	medium	8	1	organic molecular entity
methapyrilene	[no description available]	medium	3	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	6	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	5	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
nefopam	[no description available]	medium	3	0	benzoxazocine; tertiary amino compound
nomifensine	[no description available]	medium	6	0	isoquinolines	dopamine uptake inhibitor
oxiracetam	[no description available]	medium	2	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	5	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
phenacetin	[no description available]	medium	9	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	4	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	2	0	aromatic ether
pyridostigmine	[no description available]	medium	4	0	pyridinium ion
pyrimethamine	[no description available]	medium	6	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole	[no description available]	medium	5	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	6	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	5	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
suramin	[no description available]	medium	6	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	5	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
thalidomide	[no description available]	medium	5	0	phthalimides; piperidones
tinidazole	[no description available]	medium	6	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	5	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
apomorphine	[no description available]	medium	9	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
kanamycin a	[no description available]	medium	7	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	11	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
levodopa	[no description available]	medium	11	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
ampicillin	[no description available]	medium	11	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	7	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	5	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
neostigmine bromide	[no description available]	medium	4	0	bromide salt
pirinitramide	[no description available]	medium	2	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	21	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
ketobemidone	[no description available]	medium	1	0	piperidines
lithium carbonate	[no description available]	medium	2	0	carbonate salt; lithium salt	antimanic drug
vinblastine	[no description available]	medium	10	0
vancomycin	[no description available]	medium	8	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	2	0	aromatic ketone
spectinomycin	[no description available]	medium	4	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	2	0	aromatic ketone
doxifluridine	[no description available]	medium	5	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
streptomycin	[no description available]	medium	7	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	4	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	5	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
metocurine iodide	[no description available]	medium	2	0	aromatic ether
apazone	[no description available]	medium	2	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
pregnanolone	[no description available]	medium	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
toloxatone	[no description available]	medium	2	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	2	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	3	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
adinazolam	[no description available]	medium	3	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
amikacin	[no description available]	medium	8	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
cephradine	[no description available]	medium	5	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
sulbenicillin	[no description available]	medium	2	0	penicillin
medroxalol	[no description available]	medium	1	0	salicylamides
epirubicin	[no description available]	medium	5	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
moxalactam	[no description available]	medium	3	0	cephalosporin; oxacephem	antibacterial drug
pefloxacin	[no description available]	medium	5	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
recainam	[no description available]	medium	4	0
flupirtine	[no description available]	medium	5	0	aminopyridine
idazoxan	[no description available]	medium	4	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
bambuterol	[no description available]	medium	3	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	37	0
sematilide	[no description available]	medium	37	6
clinafloxacin	[no description available]	medium	3	0	quinolines
adefovir	[no description available]	medium	5	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	2	0	organic molecular entity
aripiprazole	[no description available]	medium	4	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	3	0
zanamivir	[no description available]	medium	4	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
tirofiban	[no description available]	medium	3	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	7	0
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	3	0	glutamic acid derivative
intoplicine	[no description available]	medium	2	0	pyridoindole
telmisartan	[no description available]	medium	9	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	2	0
zoledronic acid	[no description available]	medium	6	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	3	0	steroid acid
talinolol	[no description available]	medium	3	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
ljc 10627	[no description available]	medium	2	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
betamipron	[no description available]	medium	4	0	organonitrogen compound; organooxygen compound
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	2	0
squalamine	[no description available]	medium	1	0	bile acid
frovatriptan	[no description available]	medium	4	0	carbazoles
rosiglitazone	[no description available]	medium	9	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	2	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	3	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	2	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	3	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
tamsulosin	[no description available]	medium	4	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	4	0	penicillanic acids
dilevalol	[no description available]	medium	1	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	3	0	methoxybenzenes
conivaptan	[no description available]	medium	3	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	5	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	4	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	3	0
bms204352	[no description available]	medium	3	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	2	0
nsc-89199	[no description available]	medium	3	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	4	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
bortezomib	[no description available]	medium	4	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
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	5	0	piperidines
darifenacin	[no description available]	medium	2	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	2	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
cerivastatin	[no description available]	medium	5	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	6	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
clindamycin	[no description available]	medium	9	0
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	3	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	10	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	2	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	3	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	6	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
dibekacin	[no description available]	medium	3	0	kanamycins	antibacterial agent; protein synthesis inhibitor
micafungin	[no description available]	medium	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	2	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
drotaverin	[no description available]	medium	5	0	isoquinolines
cancidas	[no description available]	medium	2	0
lincomycin	[no description available]	medium	3	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	8	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
nelarabine	[no description available]	medium	3	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	3	0	aromatic ether
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	5	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	7	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
tolcapone	[no description available]	medium	7	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin	[no description available]	medium	4	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
eprosartan	[no description available]	medium	7	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
mivacurium	[no description available]	medium	2	0	isoquinolines
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
paricalcitol	[no description available]	medium	4	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	3	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclosporine	[no description available]	medium	11	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
alvocidib	[no description available]	medium	2	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	3	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	5	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
morphine-6-glucuronide	[no description available]	medium	2	0	morphinane alkaloid
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	7	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	3	0	cephalosporin
ginkgolide b	[no description available]	medium	2	0
palonosetron	[no description available]	medium	2	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cefatrizine	[no description available]	medium	3	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	3	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
azlocillin	[no description available]	medium	3	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
verlukast	[no description available]	medium	2	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	3	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	3	0	macrolide lactam
bms188797	[no description available]	medium	1	0
tomopenem	[no description available]	medium	2	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
gentamicin sulfate	[no description available]	medium	5	0
bn 52020	[no description available]	medium	2	0
vindesine	[no description available]	medium	3	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	2	0
ly-146032	[no description available]	medium	4	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	3	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
isoxicam	[no description available]	medium	4	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
demeclocycline	[no description available]	medium	4	0
rolitetracycline	[no description available]	medium	4	0
tigecycline	[no description available]	medium	4	0
dacarbazine	[no description available]	medium	6	0	dacarbazine
leucovorin	[no description available]	medium	5	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	4	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
agmatine	[no description available]	medium	1	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
normetanephrine	[no description available]	medium	1	0	catecholamine
arcaine	[no description available]	medium	1	0	guanidines
carisoprodol	[no description available]	medium	3	0	carbamate ester	muscle relaxant
celecoxib	[no description available]	medium	7	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chlorzoxazone	[no description available]	medium	5	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
eflornithine	[no description available]	medium	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
fenofibrate	[no description available]	medium	7	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
meclizine	[no description available]	medium	5	0	diarylmethane
memantine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
orphenadrine	[no description available]	medium	4	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
trihexyphenidyl	[no description available]	medium	2	0	amine
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
thyroxine	[no description available]	medium	10	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
cysteamine	[no description available]	medium	3	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
mannitol	[no description available]	medium	13	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
mepenzolate bromide	[no description available]	medium	2	0	diarylmethane
nandrolone	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
clodronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
bucindolol	[no description available]	medium	1	0
efavirenz	[no description available]	medium	6	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
2-methoxyestradiol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
glucosamine	[no description available]	medium	5	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
flupenthixol	[no description available]	medium	2	0	flupenthixol	dopaminergic antagonist
cyproterone	[no description available]	medium	2	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
denopamine	[no description available]	medium	1	0	dimethoxybenzene
taurocholic acid, monosodium salt	[no description available]	medium	2	0	bile salt
folic acid	[no description available]	medium	6	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
chlordecone	[no description available]	medium	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
5,6-dimethylbenzimidazole	[no description available]	medium	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
hexachlorocyclohexane	[no description available]	medium	1	0	chlorocyclohexane
parathion	[no description available]	medium	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol	[no description available]	medium	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
pyrazinamide	[no description available]	medium	5	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	2	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
acetohexamide	[no description available]	medium	5	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	4	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	5	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	6	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
dicamba	[no description available]	medium	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlorphenamide	[no description available]	medium	3	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
diethylcarbamazine	[no description available]	medium	1	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	3	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
glutethimide	[no description available]	medium	7	0	piperidines
guanethidine	[no description available]	medium	15	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
iproniazid	[no description available]	medium	6	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	5	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	8	0	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	medium	4	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	2	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	7	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	medium	16	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	1	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	2	0	acetamides
phenazopyridine	[no description available]	medium	3	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phentermine	[no description available]	medium	5	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	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	medium	2	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine	[no description available]	medium	2	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	13	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethoxypyridazine	[no description available]	medium	1	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	2	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine	[no description available]	medium	4	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfathiazole	[no description available]	medium	3	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	2	0	organohalogen compound; pyrimidines
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
tolazamide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
urethane	[no description available]	medium	3	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	1	0	piperidines
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	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
idoxuridine	[no description available]	medium	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
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	2	0	benzoxazole
uracil mustard	[no description available]	medium	1	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	medium	2	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
fluocinolone acetonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
sulfobromophthalein sodium	[no description available]	medium	4	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	5	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
dicloran	[no description available]	medium	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
phenylhydrazine	[no description available]	medium	1	0	phenylhydrazines	xenobiotic
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
tetraethylenepentamine	[no description available]	medium	1	0	polyazaalkane	copper chelator
chloranil	[no description available]	medium	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
amiben	[no description available]	medium	1	0	chlorobenzoic acid
monuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
iminodiacetic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
phenetidine	[no description available]	medium	1	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
diazooxonorleucine	[no description available]	medium	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
methylpentynol carbamate	[no description available]	medium	1	0
mechlorethamine n-oxide	[no description available]	medium	1	0	nitrogen mustard
linuron	[no description available]	medium	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide	[no description available]	medium	3	0	benzenes; sulfonamide
hydantoins	[no description available]	medium	16	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	3	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
apronalide	[no description available]	medium	1	0	N-acylurea
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
metahexamide	[no description available]	medium	2	0	benzenes; sulfonamide
toyocamycin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
hadacidin	[no description available]	medium	1	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
carbophenothion	[no description available]	medium	1	0	organic sulfide
porfiromycin	[no description available]	medium	1	0
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone	[no description available]	medium	1	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
pyrithioxin	[no description available]	medium	1	0	methylpyridines
nsc 65346	[no description available]	medium	1	0	nucleoside analogue	protein kinase inhibitor
guanazole	[no description available]	medium	1	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa	[no description available]	medium	1	0	phosphoramide
ioxynil	[no description available]	medium	1	0	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic
bromoxynil	[no description available]	medium	1	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
picloram	[no description available]	medium	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
ethoglucid	[no description available]	medium	1	0	epoxide
azaribine	[no description available]	medium	2	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
1,3,5-triglycidyl-s-triazinetrione	[no description available]	medium	1	0
acetophenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
improsan	[no description available]	medium	1	0	organosulfonic ester
piperacetazine	[no description available]	medium	1	0	phenothiazines
pentaquine	[no description available]	medium	1	0
isopentenyladenosine	[no description available]	medium	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
ancitabine	[no description available]	medium	2	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
phenacid	[no description available]	medium	1	0
xipamide	[no description available]	medium	3	0	benzamides
pentamethylmelamine	[no description available]	medium	1	0
calusterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
etoprine	[no description available]	medium	1	0
razoxane	[no description available]	medium	2	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	4	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	2	0	benzenes
prednimustine	[no description available]	medium	1	0	corticosteroid hormone
amygdalin	[no description available]	medium	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
amineptin	[no description available]	medium	5	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
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	2	0	fatty amide	geroprotector; metabolite; teratogenic agent
inproquone	[no description available]	medium	1	0
neplanocin a	[no description available]	medium	1	0
1-ethoxysilatrane	[no description available]	medium	1	0
tretazicar	[no description available]	medium	1	0
nsc-172755	[no description available]	medium	1	0
streptovitacin a	[no description available]	medium	1	0
cb 10375	[no description available]	medium	1	0
carbenicillin indanyl	[no description available]	medium	1	0	penicillin
cb 1837	[no description available]	medium	1	0
hexaphosphamide	[no description available]	medium	1	0
dipin	[no description available]	medium	1	0
phosphazine	[no description available]	medium	1	0
diiodobenzotepa	[no description available]	medium	1	0
icig 1163	[no description available]	medium	1	0
bimolane	[no description available]	medium	1	0
thiodipin	[no description available]	medium	1	0
fluoxydine	[no description available]	medium	1	0
imiphos	[no description available]	medium	1	0
aldophosphamide	[no description available]	medium	1	0	nitrogen mustard
perindopril	[no description available]	medium	4	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione	[no description available]	medium	1	0
oxymatrine	[no description available]	medium	1	0	alkaloid; tertiary amine oxide
1,1,2-trichloroethanol	[no description available]	medium	1	0
iremycin	[no description available]	medium	1	0
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine	[no description available]	medium	1	0
hainanensine	[no description available]	medium	1	0
ritrosulfan	[no description available]	medium	1	0
damvar	[no description available]	medium	1	0
benzo-tepa	[no description available]	medium	1	0
tevenel	[no description available]	medium	1	0	sulfonamide
tac 278	[no description available]	medium	1	0
aminopterin	[no description available]	medium	2	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid	[no description available]	medium	1	0
deflazacort	[no description available]	medium	2	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	2	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
indicine-n-oxide	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	3	0
oxytocin	[no description available]	medium	8	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
retinol	[no description available]	medium	4	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
azaserine	[no description available]	medium	2	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
dipyrone	[no description available]	medium	2	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol	[no description available]	medium	2	0	alkylbenzene
aceglatone	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	3	0
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	2	0	alcohol; organobromine compound
octotropine methylbromide	[no description available]	medium	3	0
methylatropine nitrate	[no description available]	medium	1	0
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	2	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
hymecromone	[no description available]	medium	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
cynarine	[no description available]	medium	3	0	alkyl caffeate ester; quinic acid	plant metabolite
dihydrocodeine	[no description available]	medium	3	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	1	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
irisquinone	[no description available]	medium	1	0
mitoguazone	[no description available]	medium	1	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
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	2	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
thioacetazone	[no description available]	medium	2	0
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	2	0	21-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose	[no description available]	medium	1	0
ro 6-4563	[no description available]	medium	1	0	monoterpenoid
flucloronide	[no description available]	medium	1	0	21-hydroxy steroid
hainanolide	[no description available]	medium	1	0
gliocladic acid	[no description available]	medium	1	0	p-menthane monoterpenoid
cleistanthin	[no description available]	medium	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
nimorazole	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	10	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	6	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	2	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
dan 2163	[no description available]	high	6	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
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	3	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
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
lactic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	2	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	2	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	5	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	5	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	2	0	cyclitol; hexol
niacinamide	[no description available]	medium	6	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	15	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
4-aminobenzoic acid	[no description available]	medium	15	1	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	2	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
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	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	2	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	12	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
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	3	0	aromatic amine
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	2	0	anthracenes	antipsoriatic
barbital	[no description available]	medium	4	0	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
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
butalbital	[no description available]	medium	2	0	barbiturates	analgesic; sedative
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carprofen	[no description available]	medium	3	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
ciprofibrate	[no description available]	medium	5	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clomiphene	[no description available]	medium	3	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
deferoxamine	[no description available]	medium	3	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
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	1	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	2	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	1	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	2	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
2-propanol	[no description available]	medium	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoxsuprine	[no description available]	medium	3	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
leflunomide	[no description available]	medium	4	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
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	3	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	3	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methyprylon	[no description available]	medium	2	0	organic molecular entity
metyrapone	[no description available]	medium	3	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
miconazole	[no description available]	medium	2	0	dichlorobenzene; ether; imidazoles
mitotane	[no description available]	medium	2	0	diarylmethane
modafinil	[no description available]	medium	3	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
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nimesulide	[no description available]	medium	3	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
oxamniquine	[no description available]	medium	2	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	3	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	6	0	aminobenzoic acid; phenols	antitubercular agent
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
pinacidil	[no description available]	medium	1	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
opc 12759	[no description available]	medium	1	0	secondary carboxamide
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
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
sulfadimethoxine	[no description available]	medium	4	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	2	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethizole	[no description available]	medium	3	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaphenazole	[no description available]	medium	2	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
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
tolperisone	[no description available]	medium	2	0	aromatic ketone
triclosan	[no description available]	medium	2	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	3	0	organic molecular entity
vigabatrin	[no description available]	medium	3	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
cortisone acetate	[no description available]	medium	2	0	corticosteroid hormone
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
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	2	0
histamine dihydrochloride	[no description available]	medium	1	0
dextroamphetamine	[no description available]	medium	5	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	4	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	2	0	barbiturates
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
estrone	[no description available]	medium	3	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
triiodothyronine	[no description available]	medium	7	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	2	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	3	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
aminopyrine	[no description available]	medium	4	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
uridine	[no description available]	medium	1	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	2	0	lactose
methionine	[no description available]	medium	2	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
norethynodrel	[no description available]	medium	1	0	oxo steroid
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	3	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	4	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	3	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	6	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	2	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	3	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	3	0	quinolines
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	20	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	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
aminophylline	[no description available]	medium	5	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
cyproterone acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
dihydralazine	[no description available]	medium	3	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
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
d-alpha tocopherol	[no description available]	medium	5	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
sulfadoxine	[no description available]	medium	3	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
iproclozide	[no description available]	medium	1	0	aromatic ether
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	2	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
vidarabine	[no description available]	medium	2	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
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	2	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
pirprofen	[no description available]	medium	2	0	pyrroline
ticrynafen	[no description available]	medium	3	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
benoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
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	2	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	3	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	2	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	4	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
clopidogrel	[no description available]	medium	3	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
duloxetine	[no description available]	medium	3	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
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
nelfinavir	[no description available]	medium	5	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	5	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
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	6	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
nitisinone	[no description available]	medium	2	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	3	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
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	4	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	3	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ezetimibe	[no description available]	medium	4	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
jtt 501	[no description available]	medium	1	0
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	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	1	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	1	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	3	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	3	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	2	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	1	0	anthracycline
ao 128	[no description available]	medium	2	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	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
drf 2725	[no description available]	medium	1	0
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
rubitecan	[no description available]	medium	2	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
riboflavin	[no description available]	medium	4	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	5	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	1	0	pyridines
capsaicin	[no description available]	medium	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
fusidic acid	[no description available]	medium	3	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	3	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
toremifene	[no description available]	medium	3	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	3	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
dinoprostone	[no description available]	medium	2	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
beta carotene	[no description available]	medium	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
oxymetholone	[no description available]	medium	3	0
mycophenolate mofetil	[no description available]	medium	3	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	3	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	2	0
natamycin	[no description available]	medium	3	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
acitretin	[no description available]	medium	3	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	4	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
oxymorphone	[no description available]	medium	3	0	morphinane alkaloid
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	2	0
furazolidone	[no description available]	medium	1	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
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
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	2	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
proguanil	[no description available]	medium	3	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
dantrolene sodium	[no description available]	medium	1	0
roxithromycin	[no description available]	medium	4	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
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	2	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	6	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	2	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
acenocoumarol	[no description available]	medium	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
phenprocoumon	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
lornoxicam	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
entecavir	[no description available]	medium	3	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
oxypurinol	[no description available]	medium	2	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	2	0	N-acyl-amino acid
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
succinic acid	[no description available]	medium	2	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
antazoline	[no description available]	medium	3	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
antazoline	[no description available]	medium	3	1	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
bendroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzamide	[no description available]	medium	5	0	benzamides
benzquinamide	[no description available]	medium	1	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
bethanidine	[no description available]	medium	8	0	guanidines	adrenergic antagonist; antihypertensive agent
bisacodyl	[no description available]	medium	3	0	diarylmethane
bunitrolol	[no description available]	medium	1	0	aromatic ether
bupranolol	[no description available]	medium	1	0	aromatic ether
carbazochrome	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
chlorcyclizine	[no description available]	medium	3	0	diarylmethane
chloroxine	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
cyclofenil	[no description available]	medium	2	0	organic molecular entity
doxylamine	[no description available]	medium	2	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
profenamine	[no description available]	medium	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethyl loflazepate	[no description available]	medium	3	0	organic molecular entity
etizolam	[no description available]	medium	1	0	organic molecular entity
fenoprofen	[no description available]	medium	3	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flavoxate	[no description available]	medium	2	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
flurazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flutazolam	[no description available]	medium	1	0	hemiaminal ether; organic molecular entity
hexylresorcinol	[no description available]	medium	1	0	resorcinols
homochlorocyclizine	[no description available]	medium	2	0	diarylmethane
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
ketotifen	[no description available]	medium	2	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
methocarbamol	[no description available]	medium	3	0	aromatic ether; carbamate ester; secondary alcohol
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
pargyline	[no description available]	medium	1	0	aromatic amine
perhexiline	[no description available]	medium	4	0	piperidines	cardiovascular drug
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
pyranoprofen	[no description available]	medium	3	0	pyridochromene
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propiomazine	[no description available]	medium	1	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
proxyphylline	[no description available]	medium	1	0	oxopurine
salicylsalicylic acid	[no description available]	medium	2	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
ipodate	[no description available]	medium	2	0
succinylcholine	[no description available]	medium	19	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	11	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
tiaramide	[no description available]	medium	1	0	benzothiazoles
tilorone	[no description available]	medium	6	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
trifluperidol	[no description available]	medium	1	0	aromatic ketone
trimebutine	[no description available]	medium	1	0	trihydroxybenzoic acid
tripelennamine	[no description available]	medium	2	0	aromatic amine
lysergic acid diethylamide	[no description available]	medium	2	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
leucine	[no description available]	medium	3	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gallamine triethiodide	[no description available]	medium	2	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
quinethazone	[no description available]	medium	1	0	quinazolines	antihypertensive agent; diuretic
tribromoethanol	[no description available]	medium	1	0	alcohol; organobromine compound
carbromal	[no description available]	medium	1	0	N-acylurea
triparanol	[no description available]	medium	2	0	stilbenoid	anticoronaviral agent
pantothenic acid	[no description available]	medium	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
cyclizine	[no description available]	medium	2	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
buclizine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic
thiopropazate	[no description available]	medium	1	0	acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
acetrizoic acid	[no description available]	medium	1	0	aminobenzoic acid
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
ditiocarb	[no description available]	medium	1	0	dithiocarbamic acids	chelator; copper chelator
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	1	0	xanthenes
norchlorcyclizine	[no description available]	medium	2	0
opipramol	[no description available]	medium	1	0	dibenzoazepine
glymidine	[no description available]	medium	1	0	diether; pyrimidines; sulfonamide	hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	2	0	aromatic amine
thiazolidine-4-carboxylic acid	[no description available]	medium	1	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
chlorphentermine	[no description available]	medium	2	0	amphetamines
lucanthone	[no description available]	medium	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
dichloralantipyrine	[no description available]	medium	1	0
methallenestril	[no description available]	medium	1	0	naphthalenes
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
decamethonium dibromide	[no description available]	medium	1	0
thiphenamil	[no description available]	medium	1	0	diarylmethane
phenindamine	[no description available]	medium	1	0	indene
2-amino-2-methyl-1-propanol	[no description available]	medium	1	0
phendimetrazine	[no description available]	medium	1	0
trimetozine	[no description available]	medium	1	0	morpholines
butaperazine	[no description available]	medium	1	0	phenothiazines
oxolamine	[no description available]	medium	1	0	oxadiazole; ring assembly
ethylestrenol	[no description available]	medium	1	0	17beta-hydroxy steroid; tertiary alcohol	anabolic agent
dehydroepiandrosterone acetate	[no description available]	medium	1	0	steroid ester
metaxalone	[no description available]	medium	2	0	aromatic ether
paraquat	[no description available]	medium	4	0	organic cation	geroprotector; herbicide
clothiapine	[no description available]	medium	1	0	dibenzothiazepine
noxiptilin	[no description available]	medium	2	0	organic tricyclic compound
metocurine	[no description available]	medium	3	0	isoquinolines
clomacran	[no description available]	medium	3	0	acridines
isometheptene	[no description available]	medium	1	0	secondary amino compound
molindone	[no description available]	medium	1	0	indoles
hexocyclium	[no description available]	medium	1	0	amine
clortermine	[no description available]	medium	1	0	amphetamines
nicofuranose	[no description available]	medium	1	0	organooxygen compound
cloforex	[no description available]	medium	2	0	amphetamines
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
proquazone	[no description available]	medium	1	0	pyrimidines
feprazone	[no description available]	medium	2	0	organic molecular entity
doxofylline	[no description available]	medium	1	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
ceftezole	[no description available]	medium	1	0	cephalosporin; thiadiazoles
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	2	0	stilbenoid
disobutamide	[no description available]	medium	2	0	acetamides
clociguanil	[no description available]	medium	3	0
lividomycin	[no description available]	medium	1	0	lividomycins	metabolite
gentamicin c1	[no description available]	medium	2	0
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	2	0
sennoside B	[no description available]	medium	1	0	oxo dicarboxylic acid; sennosides
dimethacrine	[no description available]	medium	1	0	acridines
5-hydroxydopamine	[no description available]	medium	2	0	catecholamine
tazobactam	[no description available]	medium	1	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
xylose	[no description available]	medium	1	0	D-xylose
clofibride	[no description available]	medium	1	0	monocarboxylic acid
l 694,458	[no description available]	medium	2	0
dromostanolone propionate	[no description available]	medium	1	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
bekanamycin	[no description available]	medium	1	0	kanamycins
hetacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
medigoxin	[no description available]	medium	1	0	cardenolide glycoside
flavin mononucleotide	[no description available]	medium	1	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
prednisolone hemisuccinate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug
nsc 4347	[no description available]	medium	1	0
lobeline	[no description available]	medium	1	0
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
zeranol	[no description available]	medium	1	0	macrolide
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
bilirubin	[no description available]	medium	5	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
ethchlorvynol	[no description available]	medium	1	0
rokitamycin	[no description available]	medium	1	0	organic molecular entity
triprolidine	[no description available]	medium	4	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
cloprednol	[no description available]	medium	1	0	21-hydroxy steroid
estropipate	[no description available]	medium	2	0	piperazinium salt; steroid sulfate
hydroxystilbamidine	[no description available]	medium	1	0
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
stilbamidine	[no description available]	medium	3	0
abt-770	[no description available]	medium	2	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	2	0
azacosterol	[no description available]	medium	2	0
homatropine methylbromide	[no description available]	medium	1	0
bephenium hydroxynaphthoate	[no description available]	medium	1	0
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
kaempferol	[no description available]	medium	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
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	32	0	indanes
aprindine	[no description available]	medium	32	2	indanes
bretylium	[no description available]	medium	12	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
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sterogenol	[no description available]	medium	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
cycloguanil	[no description available]	medium	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
benzohydroxamic acid	[no description available]	medium	1	0
pyrodifenium bromide	[no description available]	medium	1	0	organic molecular entity
amopyroquine	[no description available]	medium	1	0
benzonidazole	[no description available]	medium	2	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine	[no description available]	medium	2	0	chlorphenamine
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	3	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
salmeterol xinafoate	[no description available]	medium	2	0	naphthoic acid
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
propamidine	[no description available]	medium	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
sinefungin	[no description available]	medium	1	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
droxicam	[no description available]	medium	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	1	0	monocarboxylic acid
synthalin a	[no description available]	medium	2	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
pirlindole	[no description available]	medium	1	0	carbazoles
artemether	[no description available]	medium	2	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
rexigen	[no description available]	medium	1	0
aceclofenac	[no description available]	medium	3	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tebuquine	[no description available]	medium	1	0
cryptolepine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate	[no description available]	medium	1	0
desethylchloroquine	[no description available]	medium	1	0	aminoquinoline
wr 159412	[no description available]	medium	1	0
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
benzyloxyamine	[no description available]	medium	1	0
pyronaridine	[no description available]	medium	1	0	aminoquinoline
tafenoquine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
desethylamodiaquine	[no description available]	medium	1	0
n,n-dideethylchloroquine	[no description available]	medium	1	0
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine	[no description available]	medium	1	0
ne 58051	[no description available]	medium	1	0
wr 242511	[no description available]	medium	1	0
olpadronic acid	[no description available]	medium	1	0
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
neocryptolepine	[no description available]	medium	1	0
1-hydroxypentane-1,1-bisphosphonate	[no description available]	medium	1	0
cimadronate	[no description available]	medium	1	0
1,1-hydroxyoctanodiphosphonate	[no description available]	medium	1	0
canaline	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
purvalanol a	[no description available]	medium	1	0	purvalanol
Tetrahydropiperine	[no description available]	medium	1	0	benzodioxoles
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
ilepcimide	[no description available]	medium	1	0	benzodioxoles
artemotil	[no description available]	medium	1	0	artemisinin derivative
alsterpaullone	[no description available]	medium	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine	[no description available]	medium	1	0	harmala alkaloid
licochalcone a	[no description available]	medium	1	0	chalcones
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
chlorproguanil	[no description available]	medium	1	0	dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide	[no description available]	medium	1	0
artenimol	[no description available]	medium	1	0
4-phenoxyphenoxyethyl thiocyanate	[no description available]	medium	1	0
deoxoartemisinin	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
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
aminolevulinic acid	[no description available]	medium	1	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
pilsicainide	[no description available]	medium	7	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
pilsicainide	[no description available]	medium	7	1	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
Berberine chloride (TN)	[no description available]	medium	1	0	organic molecular entity
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
1-methylpyridinium	[no description available]	medium	2	0	methylpyridines
ubenimex	[no description available]	medium	2	0
zofenopril	[no description available]	medium	1	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
tariquidar	[no description available]	medium	1	0	benzamides
varenicline	[no description available]	medium	3	0
tryptoquivaline	[no description available]	medium	1	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
ouabain	[no description available]	high	63	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
naringin	[no description available]	medium	2	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
glycylproline	[no description available]	medium	2	0	dipeptide zwitterion; dipeptide	metabolite
bilirubin diglucuronide	[no description available]	medium	1	0
estradiol-17 beta-glucuronide	[no description available]	medium	2	0	3-hydroxy steroid; steroid glucosiduronic acid
sincalide	[no description available]	medium	3	0	oligopeptide
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
3-methylcholanthrene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
donepezil	[no description available]	medium	7	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
oxidopamine	[no description available]	medium	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
pirinixic acid	[no description available]	medium	3	0	aryl sulfide; organochlorine compound; pyrimidines
carbon tetrachloride	[no description available]	medium	3	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
chloroform	[no description available]	medium	11	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
hydrazine	[no description available]	medium	8	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
1-naphthylisothiocyanate	[no description available]	medium	3	0	isothiocyanate	insecticide
ethionine	[no description available]	medium	1	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
nonachlazine	[no description available]	medium	1	0
thioacetamide	[no description available]	medium	1	0	thiocarboxamide	hepatotoxic agent
hypoglycin a	[no description available]	medium	1	0	L-alpha-amino acid
phthalic acid	[no description available]	medium	2	0	benzenedicarboxylic acid	human xenobiotic metabolite
tryptamine	[no description available]	medium	2	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
benzothiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
flumequine	[no description available]	medium	2	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
1-naphthol	[no description available]	medium	1	0	naphthol	genotoxin; human xenobiotic metabolite
4-iodophenol	[no description available]	medium	1	0	iodophenol
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	1	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	1	0
2-amino-5-bromobenzoic acid	[no description available]	medium	2	0
2-chloromandelic acid	[no description available]	medium	1	0
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ciglitazone	[no description available]	medium	2	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	2	0	sulfonamide
nadolol	[no description available]	medium	3	0	tetralins
neostigmine	[no description available]	medium	22	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
pioglitazone	[no description available]	medium	5	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
zonisamide	[no description available]	medium	3	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
tubocurarine	[no description available]	medium	13	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
antimycin a	[no description available]	medium	2	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
selegiline hydrochloride, (r)-isomer	[no description available]	medium	2	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
lapatinib	[no description available]	medium	2	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib	[no description available]	medium	2	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
vincaleukoblastine	[no description available]	medium	3	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
wortmannin	[no description available]	medium	2	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
valinomycin	[no description available]	medium	4	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
ranitidine	[no description available]	medium	9	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
ranitidine	[no description available]	medium	9	2	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
l 660,711	[no description available]	medium	3	0	quinolines
3-(1-methylpyrrolidin-2-yl)pyridine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridine alkaloid; pyrrolidine alkaloid
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate	[no description available]	medium	1	0	catechin
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	[no description available]	medium	1	0	aporphine alkaloid
berberine	[no description available]	medium	3	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
bisindolylmaleimide i	[no description available]	medium	1	0
clebopride	[no description available]	medium	2	0	piperidines
clofilium	[no description available]	medium	6	0	benzenes; organic amino compound
cocaine	[no description available]	medium	1	0
dilacor xr	[no description available]	medium	1	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
ifenprodil	[no description available]	medium	1	0	piperidines
norfluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes
quetiapine	[no description available]	medium	2	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
chlorobutanol	[no description available]	medium	1	0	tertiary alcohol
edifenphos	[no description available]	medium	1	0	organic thiophosphate	antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor
bicifadine	[no description available]	medium	1	0
budipine	[no description available]	medium	1	0	diarylmethane
levobupivacaine	[no description available]	medium	1	0	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
ecgonine methyl ester	[no description available]	medium	1	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
paliperidone	[no description available]	medium	3	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
mosapride	[no description available]	medium	1	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
mdl 74156	[no description available]	medium	1	0
ly 97241	[no description available]	medium	1	0
emd 60263	[no description available]	medium	1	0
dronedarone	[no description available]	medium	2	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
artemisin	[no description available]	medium	1	0
zuclomiphene	[no description available]	medium	1	0	stilbenoid
glyceryl nonivamide	[no description available]	medium	1	0
lumefantrine	[no description available]	medium	1	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
ave 0118	[no description available]	medium	1	0
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide	[no description available]	medium	1	0	piperazines; pyridines
cj 033466	[no description available]	medium	1	0
norclozapine	[no description available]	medium	2	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
desmethylolanzapine	[no description available]	medium	1	0	benzodiazepine
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
3-hydroxymexiletine	[no description available]	medium	1	0
hoe 33342	[no description available]	medium	1	0	bibenzimidazole; N-methylpiperazine	fluorochrome
chelerythrine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
fendiline	[no description available]	medium	2	0	diarylmethane
furafylline	[no description available]	medium	1	0	oxopurine
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
glycyrrhizic acid	[no description available]	medium	1	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
phenethyl isothiocyanate	[no description available]	medium	1	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
ranolazine	[no description available]	medium	2	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
baicalin	[no description available]	medium	1	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
fluo-3	[no description available]	medium	1	0	xanthene dye	fluorochrome
elacridar	[no description available]	medium	1	0
5-carboxyfluorescein diacetate	[no description available]	medium	1	0
erlotinib	[no description available]	medium	2	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
taurolithocholic acid	[no description available]	medium	1	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
nootkatone	[no description available]	medium	1	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
sodium taurodeoxycholate	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite
glycodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
genistein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
ko 143	[no description available]	medium	1	0	beta-carbolines; tert-butyl ester
tipranavir	[no description available]	medium	2	0	sulfonamide	antiviral drug; HIV protease inhibitor
cilostazol	[no description available]	medium	3	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
telbivudine	[no description available]	medium	3	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
s 1033	[no description available]	medium	2	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
dasatinib	[no description available]	medium	3	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
su 11248	[no description available]	medium	2	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
raltegravir	[no description available]	medium	2	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
bronopol	[no description available]	medium	1	0	nitro compound
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
piracetam	[no description available]	medium	2	0	organonitrogen compound; organooxygen compound
piracetam	[no description available]	medium	2	1	organonitrogen compound; organooxygen compound
piribedil	[no description available]	medium	2	0	N-arylpiperazine
ono 1078	[no description available]	medium	1	0	chromones
sulfanitran	[no description available]	medium	1	0	sulfonamide
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
thenoyltrifluoroacetone	[no description available]	medium	1	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
triamcinolone diacetate	[no description available]	medium	1	0	corticosteroid hormone
rotenone	[no description available]	medium	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
procarbazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
dimenhydrinate	[no description available]	medium	2	0	diarylmethane
hydroxychloroquine sulfate	[no description available]	medium	1	0
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
pregnenolone carbonitrile	[no description available]	medium	2	0	aliphatic nitrile
etidronate disodium	[no description available]	medium	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
mafenide acetate	[no description available]	medium	1	0	carboxylic acid
diacerein	[no description available]	medium	1	0	anthraquinone
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
carbidopa	[no description available]	medium	2	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
nitazoxanide	[no description available]	medium	2	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	2	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
talniflumate	[no description available]	medium	1	0	benzofurans
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
aromasil	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
gemcitabine hydrochloride	[no description available]	medium	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
atorvastatin calcium anhydrous	[no description available]	medium	1	0	organic calcium salt
duloxetine hydrochloride	[no description available]	medium	1	0	duloxetine hydrochloride	antidepressant
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
bupivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
plerixafor	[no description available]	medium	2	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
miconazole nitrate	[no description available]	medium	1	0
artemisinin	[no description available]	medium	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide	[no description available]	medium	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
hp 873	[no description available]	medium	2	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
uroxatral	[no description available]	medium	1	0	hydrochloride
thiocolchicoside	[no description available]	medium	1	0	glycoside
doripenem	[no description available]	medium	2	0	carbapenems
tamiflu	[no description available]	medium	1	0	phosphate salt
bexarotene	[no description available]	medium	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098	[no description available]	medium	1	0	acetamides
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
gliquidone	[no description available]	medium	1	0	isoquinolines
moxifloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antibacterial drug
fulvestrant	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
racecadotril	[no description available]	medium	1	0	N-acyl-amino acid
tadalafil	[no description available]	medium	2	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
plavix	[no description available]	medium	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
valdecoxib	[no description available]	medium	2	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
abiraterone	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat	[no description available]	medium	2	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro	[no description available]	medium	1	0
docetaxel anhydrous	[no description available]	medium	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
cox 189	[no description available]	medium	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ramelteon	[no description available]	medium	2	0	indanes
tolvaptan	[no description available]	medium	2	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	2	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	2	0	N-acyl-amino acid
vincristine sulfate	[no description available]	medium	1	0	organic sulfate salt	antineoplastic agent; geroprotector
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
pemirolast potassium salt	[no description available]	medium	1	0
eplerenone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
loteprednol etabonate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
valrubicin	[no description available]	medium	1	0	anthracycline; trifluoroacetamide
posaconazole	[no description available]	medium	2	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
arginine vasopressin	[no description available]	medium	2	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
trilostane	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	medium	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
latoconazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug
maraviroc	[no description available]	medium	2	0	tropane alkaloid
toremifene citrate	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
azilect	[no description available]	medium	1	0
vitamin d 2	[no description available]	medium	2	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
travoprost	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
imipenem	[no description available]	medium	1	0	carbapenems
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
rosuvastatin calcium	[no description available]	medium	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
acipimox	[no description available]	medium	1	0	pyrazinecarboxylic acid
atosiban	[no description available]	medium	1	0	oligopeptide
bimatoprost	[no description available]	medium	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
pregabalin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	2	0	peptide
tenofovir disoproxil fumarate	[no description available]	medium	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
dexbrompheniramine maleate	[no description available]	medium	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
rifaximin	[no description available]	medium	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	2	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
fluphenazine	[no description available]	medium	1	0
cefdinir	[no description available]	medium	3	0	cephalosporin; ketoxime	antibacterial drug
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1	0
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
tekturna	[no description available]	medium	1	0	fumarate salt	antihypertensive agent
vildagliptin	[no description available]	medium	1	0	amino acid amide
sgd 301-76	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
dexlansoprazole	[no description available]	medium	2	0	benzimidazoles; sulfoxide
gemifloxacin mesylate	[no description available]	medium	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
rivaroxaban	[no description available]	medium	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib	[no description available]	medium	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib	[no description available]	medium	2	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
amg 009	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
losartan potassium	[no description available]	medium	1	0
dactolisib	[no description available]	medium	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
bivalirudin	[no description available]	medium	2	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone
warfarin sodium	[no description available]	medium	1	0
pravastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium	[no description available]	medium	1	0
sl 80.0750	[no description available]	medium	1	0
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
azlocillin sodium	[no description available]	medium	1	0	organic sodium salt
minocycline hydrochloride	[no description available]	medium	1	0
valtrex	[no description available]	medium	1	0	organic molecular entity
citrovorum factor	[no description available]	medium	2	0	tetrahydrofolic acid
rifapentine	[no description available]	medium	2	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
gamma-aminobutyric acid	[no description available]	medium	2	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
benzoic acid	[no description available]	medium	1	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
formic acid	[no description available]	medium	3	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
gallic acid	[no description available]	medium	1	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
dihydroxyphenylalanine	[no description available]	medium	2	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
tryptophan	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
2,4-dichlorophenoxyacetic acid	[no description available]	medium	2	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
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
fluspirilene	[no description available]	medium	1	0	diarylmethane
mephentermine	[no description available]	medium	3	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
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
aspartic acid	[no description available]	medium	3	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	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
tromethamine	[no description available]	medium	5	0	primary amino compound; triol	buffer
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	1	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	2	0	tertiary amine
chloroprocaine	[no description available]	medium	3	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	1	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
normorphine	[no description available]	medium	1	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
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
phenylalanylphenylalanine	[no description available]	medium	1	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
norcodeine	[no description available]	medium	1	0	morphinane alkaloid
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
dichlone	[no description available]	medium	1	0
epigallocatechin gallate	[no description available]	medium	2	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
nanaomycin a	[no description available]	medium	1	0	benzoisochromanequinone; monocarboxylic acid; organooxygen heterocyclic antibiotic; p-quinones	bacterial metabolite
rg108	[no description available]	medium	1	0	indolyl carboxylic acid
sgi-1027	[no description available]	medium	1	0
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
bethanechol	[no description available]	medium	1	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
secbutabarbital	[no description available]	medium	1	0	barbiturates
pentetic acid	[no description available]	medium	2	0	pentacarboxylic acid	copper chelator
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
fipexide	[no description available]	medium	1	0	benzodioxoles
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester	[no description available]	medium	1	0	benzenes
guaifenesin	[no description available]	medium	1	0	methoxybenzenes
isocarboxazid	[no description available]	medium	1	0	benzenes
mecamylamine	[no description available]	medium	3	0	primary aliphatic amine
mepenzolate	[no description available]	medium	1	0	diarylmethane
methazolamide	[no description available]	medium	1	0	sulfonamide; thiadiazoles
4-phenylbutyric acid	[no description available]	medium	1	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	2	0	xanthenes
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
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	12	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
acetylcholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
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
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
ibufenac	[no description available]	medium	1	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
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
fialuridine	[no description available]	medium	1	0
haloperidol decanoate	[no description available]	medium	1	0	organic molecular entity
tolrestat	[no description available]	medium	1	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
balsalazide	[no description available]	medium	1	0
alpidem	[no description available]	medium	1	0	imidazoles
tasosartan	[no description available]	medium	1	0	biphenyls
tiludronic acid	[no description available]	medium	1	0	organochlorine compound
fenofibric acid	[no description available]	medium	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
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
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
nitrefazole	[no description available]	medium	1	0	imidazoles
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
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
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
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	1	0	corticosteroid hormone
fiduxosin	[no description available]	medium	1	0
etravirine	[no description available]	medium	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
darunavir	[no description available]	medium	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
regadenoson	[no description available]	medium	1	0	purine nucleoside
clindamycin phosphate	[no description available]	medium	1	0
octreotide	[no description available]	medium	1	0
arsenic trioxide	[no description available]	medium	1	0	arsenic oxide	antineoplastic agent; insecticide
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
pyrantel	[no description available]	medium	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
aplaviroc	[no description available]	medium	1	0
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
hemabate	[no description available]	medium	1	0
ethamolin	[no description available]	medium	1	0	long-chain fatty acid
nabilone	[no description available]	medium	1	0
vitamin k 1	[no description available]	medium	1	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
verteporfin	[no description available]	medium	1	0
trientine hydrochloride	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	1	0
pafuramidine	[no description available]	medium	1	0
aliskiren	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
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
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
tapentadol	[no description available]	medium	1	0	alkylbenzene
cefditoren	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
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
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	2	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
sodium iothalamate	[no description available]	medium	1	0
fertinex	[no description available]	medium	1	0
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
levoplast	[no description available]	medium	1	0	C-nitro compound
hippuric acid	[no description available]	medium	1	0	N-acylglycine	human blood serum metabolite; uremic toxin
xanthine	[no description available]	medium	1	0	xanthine	Saccharomyces cerevisiae metabolite
atrolactic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid
etofylline	[no description available]	medium	1	0	oxopurine
n-acetyltryptophan	[no description available]	medium	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
ethacridine	[no description available]	medium	1	0	acridines
2,5-di-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones
cx546	[no description available]	medium	1	0
diuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
ipriflavone	[no description available]	medium	1	0	aromatic ether; isoflavones	bone density conservation agent
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
prometone	[no description available]	medium	1	0	diamino-1,3,5-triazine; methoxy-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
propanil	[no description available]	medium	1	0	anilide; dichlorobenzene	herbicide
testosterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
2-hydroxybenzylbenzimidazole	[no description available]	medium	1	0
etimizol	[no description available]	medium	1	0
bis(4-hydroxyphenyl)sulfone	[no description available]	medium	1	0	bisphenol; sulfone	endocrine disruptor; metabolite
8-hydroxyquinoline-5-sulfonic acid	[no description available]	medium	1	0
salicylanilide	[no description available]	medium	1	0	benzanilide fungicide; salicylamides; salicylanilides
2-phenylbutyric acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid	human xenobiotic metabolite
4,4'-dimethoxybenzophenone	[no description available]	medium	1	0
6-phenyl-1,3,5-triazine-2,4-diamine	[no description available]	medium	1	0
quinaldic acid	[no description available]	medium	1	0	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
N-(2-methoxyphenyl)acetamide	[no description available]	medium	1	0	acetamides; methoxybenzenes
fast red b	[no description available]	medium	1	0
methylenebis(chloroaniline)	[no description available]	medium	1	0	chloroaniline	metabolite
di-(4-aminophenyl)ether	[no description available]	medium	1	0	aromatic ether
diphenylguanidine	[no description available]	medium	1	0	guanidines	allergen
4-Anilino-4-oxobutanoic acid	[no description available]	medium	1	0	anilide
etryptamine	[no description available]	medium	1	0	indoles
sulfacetamide	[no description available]	medium	1	0
2-aminobenzothiazole	[no description available]	medium	1	0	benzothiazoles
carzenide	[no description available]	medium	1	0	sulfonamide
nitrilotriacetic acid	[no description available]	medium	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
n-(2-cyanoethyl)-2-phenylethylamine	[no description available]	medium	1	0
cyclooctane	[no description available]	medium	1	0
triphenyltetrazolium chloride	[no description available]	medium	1	0	organic chloride salt	dye; indicator
2,7-diacetylaminofluorene	[no description available]	medium	1	0
3,4-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
4-(benzoylamino)-2-hydroxybenzoic acid	[no description available]	medium	1	0	benzamides
tropic acid	[no description available]	medium	1	0	3-hydroxy monocarboxylic acid	human xenobiotic metabolite
8-hydroxy-7-iodo-5-quinolinesulfonic acid	[no description available]	medium	1	0	hydroxyquinoline
1-acetylisatin	[no description available]	medium	1	0	indoledione
4-cumylphenol	[no description available]	medium	1	0	diarylmethane
5-methylisatin	[no description available]	medium	1	0
2-hydrazinobenzothiazole	[no description available]	medium	1	0
1,2,3-trimethoxybenzene	[no description available]	medium	1	0	methoxybenzenes	plant metabolite
2-amino-5-chlorobenzophenone	[no description available]	medium	1	0
diphenamid	[no description available]	medium	1	0	diarylmethane
4-(4-nitrobenzyl)pyridine	[no description available]	medium	1	0
5-methyl-3-phenylisoxazole-4-carboxylic acid	[no description available]	medium	1	0
2-acetylbenzofuran	[no description available]	medium	1	0
pyrazon	[no description available]	medium	1	0	benzenes; organochlorine compound; primary amino compound; pyridazinone	environmental contaminant; herbicide; xenobiotic
2-amino-5-nitrobenzophenone	[no description available]	medium	1	0
(4-tert-Butyl-phenoxy)-acetic acid	[no description available]	medium	1	0	monocarboxylic acid
lenacil	[no description available]	medium	1	0	cyclopentapyrimidine	agrochemical; environmental contaminant; herbicide; xenobiotic
2-amino-2',5-dichlorobenzophenone	[no description available]	medium	1	0
2-(2'-hydroxyphenyl)benzimidazole	[no description available]	medium	1	0
4-phthalimidobutyric acid	[no description available]	medium	1	0
azabutyrone	[no description available]	medium	1	0
2-(2-hydroxyphenyl)benzothiazole	[no description available]	medium	1	0	benzothiazoles; phenols	geroprotector
4,5-dichlorocatechol	[no description available]	medium	1	0
n-butylbenzenesulfonamide	[no description available]	medium	1	0	sulfonamide	neurotoxin; plant metabolite
3-phenoxybenzoic acid	[no description available]	medium	1	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
2-(2-hydroxyethylmercapto)benzothiazole	[no description available]	medium	1	0
carboxin	[no description available]	medium	1	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
meturin	[no description available]	medium	1	0
2-bromo-N-phenylbenzamide	[no description available]	medium	1	0	benzamides
4-chlorohippuric acid	[no description available]	medium	1	0
4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	phenoxy herbicide
2,5-dichloro-1,4-phenylenediamine	[no description available]	medium	1	0
metribuzin	[no description available]	medium	1	0	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
2,5-dimethyl-3-furancarboxanilide	[no description available]	medium	1	0
moricizine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
2-benzimidazolylguanidine	[no description available]	medium	1	0	aminoimidazole
diflubenzuron	[no description available]	medium	1	0	benzoylurea insecticide; monochlorobenzenes	insect sterilant
pentafluorobenzoyl-n-phenylethylamine	[no description available]	medium	1	0
thidiazuron	[no description available]	medium	1	0	ureas
phenthiazamine	[no description available]	medium	1	0
5,5-diphenylbarbituric acid	[no description available]	medium	1	0
3-acetamidobenzoic acid	[no description available]	medium	1	0
dazoxiben hydrochloride	[no description available]	medium	1	0
succinylsulfanilamide	[no description available]	medium	1	0
benzylaminopurine	[no description available]	medium	1	0	6-aminopurines	cytokinin; plant metabolite
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
src-820 r	[no description available]	medium	1	0
n(4)-acetylsulfadiazine	[no description available]	medium	1	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone	[no description available]	medium	1	0
formetamide	[no description available]	medium	1	0
isbufylline	[no description available]	medium	1	0
phenylacetylglycine	[no description available]	medium	1	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
N-benzoylanthranilic acid	[no description available]	medium	1	0	amidobenzoic acid
butinoline	[no description available]	medium	1	0	diarylmethane
n-(2-carboxyphenyl)glycine	[no description available]	medium	1	0
n,n-dimethyl-4-anisidine	[no description available]	medium	1	0
n-benzoylpiperidine	[no description available]	medium	1	0	benzamides; N-acylpiperidine
2-phenylcyclopropanecarboxylic acid	[no description available]	medium	1	0
n-demethylantipyrine	[no description available]	medium	1	0	pyrazoles; ring assembly
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine	[no description available]	medium	1	0	1,2,4-triazines
2-amino-5-bromopyridine	[no description available]	medium	1	0
n-benzoylalanine, (dl-ala)-isomer	[no description available]	medium	1	0	alanine derivative; N-acyl-amino acid	metabolite
bicinchoninic acid	[no description available]	medium	1	0
benzoylpropionic acid	[no description available]	medium	1	0	4-oxo monocarboxylic acid	hapten
Evoxine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	[no description available]	medium	1	0	harmala alkaloid
N-Benzylphthalimide	[no description available]	medium	1	0	isoindoles
pyromellitic diimide	[no description available]	medium	1	0
4'-bromosalicylanilide	[no description available]	medium	1	0
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane	[no description available]	medium	1	0	bisphenol
terephthalamide	[no description available]	medium	1	0	benzenedicarboxamide
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl-	[no description available]	medium	1	0
2-nitrophenylacetic acid	[no description available]	medium	1	0	C-nitro compound; phenylacetic acids
onychine	[no description available]	medium	1	0
4'-methoxyflavone	[no description available]	medium	1	0	ether; flavonoids
1,3-diphenyl-2-aminopropane	[no description available]	medium	1	0
2,2-diphenylpropionic acid	[no description available]	medium	1	0
3,4-dimethoxyphenylacetamide	[no description available]	medium	1	0
2-(1H-benzimidazol-2-yl)aniline	[no description available]	medium	1	0	benzimidazoles; primary arylamine; substituted aniline	geroprotector
N-Acetylhomoveratrylamine	[no description available]	medium	1	0	acetamides
2-chlorobenzenesulfonamide	[no description available]	medium	1	0
4-nitrophenyl dimethylcarbamate	[no description available]	medium	1	0
8-(4-tolylsulfonylamino)quinoline	[no description available]	medium	1	0	sulfonamide
5-methoxyindole-3-carbaldehyde	[no description available]	medium	1	0	indoles
2-oxo-1,2-dihydroquinoline-4-carboxylic acid	[no description available]	medium	1	0	quinolinemonocarboxylic acid
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one	[no description available]	medium	1	0	beta-carbolines
pd 147953	[no description available]	medium	1	0
fenozan	[no description available]	medium	1	0
5-phenylbarbituric acid	[no description available]	medium	1	0
diethylpropion hydrochloride	[no description available]	medium	1	0	hydrochloride	appetite depressant
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol	[no description available]	medium	1	0
beta-hydroxyphenylalanine	[no description available]	medium	1	0
3-(n-salicyloyl)amino-1,2,4-triazole	[no description available]	medium	1	0
7-chloro-4-aminoquinoline	[no description available]	medium	1	0	aminoquinoline
acridine-9-carboxylic acid	[no description available]	medium	1	0
1-phenazinecarboxylic acid	[no description available]	medium	1	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
4,5-diphenyl-1,5-dihydroimidazol-2-one	[no description available]	medium	1	0	stilbenoid
2-hydroxy-1,2-bis(methoxyphenyl)ethanone	[no description available]	medium	1	0
4-methyl-N-(phenylmethyl)benzenesulfonamide	[no description available]	medium	1	0	sulfonamide
4-n-butylaminobenzoic acid	[no description available]	medium	1	0	aromatic amino acid
fluoren-9-ol	[no description available]	medium	1	0
1-(2-carboxyethyl)uracil	[no description available]	medium	1	0
1-benzylindole	[no description available]	medium	1	0
2,3-bis(2-pyridinyl)quinoxaline	[no description available]	medium	1	0	quinoxaline derivative
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol	[no description available]	medium	1	0	dichlorobenzene; hydroxybiphenyls
5-nitro-2-(1-piperidinyl)pyridine	[no description available]	medium	1	0	C-nitro compound
2-amino-5,7-dimethyl-1,8-naphthyridine	[no description available]	medium	1	0
5-benzyloxytryptophan	[no description available]	medium	1	0
2,5-diethoxy-4-morpholinoaniline	[no description available]	medium	1	0
3-hydroxy-3-phenacyloxindole	[no description available]	medium	1	0
carbobenzoxyphenylalanine, (dl-phe)-isomer	[no description available]	medium	1	0
gamma-fagarine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
3-carboxymethyl-6-benzyl-2,5-diketopiperazine	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
4-fluorobenzenesulfonamide	[no description available]	medium	1	0
emoxypine succinate	[no description available]	medium	1	0
n-carbamyltryptophan	[no description available]	medium	1	0
2,4,6-trimethoxyacetophenone	[no description available]	medium	1	0
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole	[no description available]	medium	1	0
4-methyoxybenzoyl-n-glycine	[no description available]	medium	1	0	N-acylglycine
5-ethoxy-2-ethylmercaptobenzimidazole	[no description available]	medium	1	0
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester	[no description available]	medium	1	0
n-phenyliminodiacetic acid	[no description available]	medium	1	0
teomorfolin	[no description available]	medium	1	0
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone	[no description available]	medium	1	0	benzodioxoles
n-(aminocarbonyl)-2-chlorobenzenesulfonamide	[no description available]	medium	1	0
3-hydroxy-2-quinoxalinepropionic acid	[no description available]	medium	1	0
8-(methylsulfonylamino)quinoline	[no description available]	medium	1	0
n(4)-acetylsulfamonomethoxine	[no description available]	medium	1	0
8-(4-benzenesulfonylamino)quinoline	[no description available]	medium	1	0
methindione	[no description available]	medium	1	0
3,4-dihydroxybenzophenone	[no description available]	medium	1	0
gamma-propanol	[no description available]	medium	1	0
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile	[no description available]	medium	1	0	benzenes; nitrile
isonicotinylamide gaba	[no description available]	medium	1	0
5-fluorotryptamine monohydrochloride	[no description available]	medium	1	0
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide	[no description available]	medium	1	0
3-(hydroxyacetyl)indole	[no description available]	medium	1	0	indoles
n-(4-aminophenylsulfonyl)morpholine	[no description available]	medium	1	0
1H-indol-3-yl-(4-methoxyphenyl)methanone	[no description available]	medium	1	0	N-acylindole
2-amino-5-phenyl-1,3,4-thiadiazole	[no description available]	medium	1	0
N-(1-phenylethyl)acetamide	[no description available]	medium	1	0	acetamides; secondary carboxamide
alpha-(trichloromethyl)-4-pyridineethanol	[no description available]	medium	1	0	pyridines
ml 204	[no description available]	medium	1	0
eudesmin	[no description available]	medium	1	0
2-amino-4-methyl-3-nitropyridine	[no description available]	medium	1	0
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline	[no description available]	medium	1	0
n-acetylhistidine	[no description available]	medium	1	0	histidine derivative; N-acetyl-amino acid
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid	[no description available]	medium	1	0	acetamides
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea	[no description available]	medium	1	0	ureas
4-methoxyxanthone	[no description available]	medium	1	0
N-(4-nitrophenyl)-2-phenoxyacetamide	[no description available]	medium	1	0	C-nitro compound
1-phenylindolin-2-one	[no description available]	medium	1	0
1-(benzenesulfonyl)indole	[no description available]	medium	1	0	sulfonamide
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile	[no description available]	medium	1	0	dihydropyridine
pifithrin mu	[no description available]	medium	1	0	benzenes
2-benzyloxybenzaldehyde	[no description available]	medium	1	0
2-guanidine-4-methylquinazoline	[no description available]	medium	1	0
N-phenylcarbamic acid 2-phenoxyethyl ester	[no description available]	medium	1	0	carbamate ester
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol	[no description available]	medium	1	0	benzimidazoles
mequindox	[no description available]	medium	1	0
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide	[no description available]	medium	1	0	diarylmethane
Girgensonine	[no description available]	medium	1	0	nitrile
Dubinidine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
N-[4-(methanesulfonamido)phenyl]acetamide	[no description available]	medium	1	0	sulfonamide
4-(2-oxazolo[4,5-b]pyridinyl)aniline	[no description available]	medium	1	0	1,3-oxazoles
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole	[no description available]	medium	1	0	benzoxazole
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium	[no description available]	medium	1	0	pyridazines
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone	[no description available]	medium	1	0	substituted aniline
1-phenyl-4-pyrazolol	[no description available]	medium	1	0	pyrazoles; ring assembly
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide	[no description available]	medium	1	0	benzothiazoles
3-benzamido-2-benzofurancarboxamide	[no description available]	medium	1	0	benzofurans
N-[2-(4-methoxyphenyl)ethyl]acetamide	[no description available]	medium	1	0	acetamides
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	[no description available]	medium	1	0	aromatic ether
2-(1H-indol-3-ylthio)acetic acid	[no description available]	medium	1	0	indoles
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
3-Methylbenzofuran-2-carboxylic acid	[no description available]	medium	1	0	benzofurans
5-(3,4-dimethoxyphenyl)-2H-tetrazole	[no description available]	medium	1	0	tetrazoles
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine	[no description available]	medium	1	0	piperazines
2-phenylindole-3-carbaldehyde	[no description available]	medium	1	0
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine	[no description available]	medium	1	0	aryl sulfide
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine	[no description available]	medium	1	0	C-nitro compound
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline	[no description available]	medium	1	0	pyrimidines
7-methoxyisoflavone	[no description available]	medium	1	0	7-methoxyisoflavones
LSM-32392	[no description available]	medium	1	0	monoterpenoid
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide	[no description available]	medium	1	0	benzamides
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol	[no description available]	medium	1	0	benzimidazoles
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide	[no description available]	medium	1	0	sulfonamide
3-acetamido-5-chloro-2-benzofurancarboxylic acid	[no description available]	medium	1	0	benzofurans
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone	[no description available]	medium	1	0	dimethoxybenzene
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine	[no description available]	medium	1	0	N-arylpiperazine
haplamine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine	[no description available]	medium	1	0	triazoles
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide	[no description available]	medium	1	0	benzamides
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone	[no description available]	medium	1	0	aromatic ketone
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid	[no description available]	medium	1	0	quinolines
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline	[no description available]	medium	1	0	pyridines; pyrrolidines; quinazolines
scp 1	[no description available]	medium	1	0
N-(3-acetamidophenyl)-4-methoxybenzamide	[no description available]	medium	1	0	benzamides
N-(3-acetamidophenyl)-3-chlorobenzamide	[no description available]	medium	1	0	benzamides
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide	[no description available]	medium	1	0	benzamides
N-(2-fluorophenyl)-4-phenylmethoxybenzamide	[no description available]	medium	1	0	benzamides
N-[4-(diethylamino)phenyl]-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
N-(2-furanylmethyl)-2-benzofurancarboxamide	[no description available]	medium	1	0	benzofurans
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine	[no description available]	medium	1	0	aromatic amine; thiadiazoles
te 5	[no description available]	medium	1	0
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide	[no description available]	medium	1	0	ureas
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine	[no description available]	medium	1	0	benzothiazoles
6-methylflavone	[no description available]	medium	1	0
2-methoxy-N-(2-pyridinyl)benzamide	[no description available]	medium	1	0	benzamides
2-chloro-N-(2-phenylethyl)benzamide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide	[no description available]	medium	1	0	C-nitro compound
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
tioxazafen	[no description available]	medium	1	0	1,2,4-oxadiazole; thiophenes	agrochemical; nematicide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide	[no description available]	medium	1	0	aromatic amide
1-(4-Methoxyphenyl)-2-nitroethylene	[no description available]	medium	1	0	methoxybenzenes
brd32048	[no description available]	medium	1	0	methoxybenzenes; substituted aniline
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	medium	1	0	aromatic ether
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine	[no description available]	medium	1	0	imidazoles
5-(2-phenyl-4-triazolyl)-2H-tetrazole	[no description available]	medium	1	0	triazoles
N-cyclohexyl-2,3-dihydroindole-1-carboxamide	[no description available]	medium	1	0	indolyl carboxylic acid
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine	[no description available]	medium	1	0	aryl sulfide; benzenes; thienopyrimidine
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide	[no description available]	medium	1	0	indolecarboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide	[no description available]	medium	1	0	benzamides
4-(1H-benzimidazol-2-yl)quinoline	[no description available]	medium	1	0	quinolines
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one	[no description available]	medium	1	0	aromatic ketone
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
N-(4-methoxyphenyl)-2-benzofurancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
2-(9h-xanthen-9-yl)-malonic acid	[no description available]	medium	1	0	xanthenes
1-(1,3-benzothiazol-2-yl)-3-phenylurea	[no description available]	medium	1	0	ureas
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one	[no description available]	medium	1	0	imidazoles
N-(4-acetamidophenyl)-2-bromobenzamide	[no description available]	medium	1	0	benzamides
4-bromo-N-phenacylbenzamide	[no description available]	medium	1	0	aromatic ketone
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone	[no description available]	medium	1	0	indoles
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide	[no description available]	medium	1	0	triazoles
N,N-dimethyl-N'-p-tolylsulfamide	[no description available]	medium	1	0	sulfamides	marine xenobiotic metabolite
2-(1-piperidinylmethyl)phenol	[no description available]	medium	1	0
2,6-bis(benzimidazol-2-yl)pyridine	[no description available]	medium	1	0	benzimidazoles
1-cyclohexyl-3-(2-phenylethyl)urea	[no description available]	medium	1	0	benzenes
1-(3,5-dichlorophenyl)-3-phenylurea	[no description available]	medium	1	0	ureas
1-(cyclohexylmethyl)-4-phenylpiperazine	[no description available]	medium	1	0	piperazines
N-phenethyl-2-furamide	[no description available]	medium	1	0	aromatic amide; heteroarene
paromomycin sulfate	[no description available]	medium	1	0
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide	[no description available]	medium	1	0	benzimidazoles
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine	[no description available]	medium	1	0	aralkylamine
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide	[no description available]	medium	1	0	monoterpenoid
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile	[no description available]	medium	1	0	nitrile; pyridines
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide	[no description available]	medium	1	0	benzamides
vu0099704	[no description available]	medium	1	0
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one	[no description available]	medium	1	0	pyrazoles; ring assembly
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline	[no description available]	medium	1	0	triazoles
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide	[no description available]	medium	1	0	pyrroloquinoline
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole	[no description available]	medium	1	0	aryl sulfide
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile	[no description available]	medium	1	0
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone	[no description available]	medium	1	0	aromatic ketone
2-fluoro-N-phenacylbenzamide	[no description available]	medium	1	0	aromatic ketone
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile	[no description available]	medium	1	0	nitrile; pyridines
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone	[no description available]	medium	1	0	carbonyl compound; thiol
GS4012 free base	[no description available]	medium	1	0	aryl sulfide; monomethoxybenzene; pyridines	VEGF activator
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide	[no description available]	medium	1	0	benzimidazoles
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone	[no description available]	medium	1	0	aromatic ketone
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide	[no description available]	medium	1	0	amino acid amide; glycine derivative
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine	[no description available]	medium	1	0	N-arylpiperazine
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine	[no description available]	medium	1	0	piperazines
4-Piperidinobenzoic acid	[no description available]	medium	1	0	piperidines
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine	[no description available]	medium	1	0	piperazines
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide	[no description available]	medium	1	0	pyrroloquinoline
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine	[no description available]	medium	1	0	benzimidazoles
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide	[no description available]	medium	1	0	sulfonamide
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide	[no description available]	medium	1	0	benzodioxine
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine	[no description available]	medium	1	0
8-(3,5-dimethyl-1-pyrazolyl)quinoline	[no description available]	medium	1	0	quinolines
2'-nitroflavone	[no description available]	medium	1	0
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine	[no description available]	medium	1	0	aminoquinoline
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one	[no description available]	medium	1	0	aromatic compound
vrt 532	[no description available]	medium	1	0
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol	[no description available]	medium	1	0	piperazines
1-piperonylpiperidine	[no description available]	medium	1	0
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol	[no description available]	medium	1	0	aromatic amine
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol	[no description available]	medium	1	0	aromatic amine
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one	[no description available]	medium	1	0	pyrazolopyrimidine
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide	[no description available]	medium	1	0	benzamides
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide	[no description available]	medium	1	0	imidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole	[no description available]	medium	1	0	aryl sulfide
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine	[no description available]	medium	1	0	benzoxazole
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea	[no description available]	medium	1	0	ureas
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid	[no description available]	medium	1	0	N-acylglycine
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone	[no description available]	medium	1	0	aromatic ketone
N-(3-acetamidophenyl)-2-chlorobenzamide	[no description available]	medium	1	0	benzamides
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
2-bromo-N-(3-methoxyphenyl)benzamide	[no description available]	medium	1	0	benzamides
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	[no description available]	medium	1	0	aromatic ether; C-nitro compound
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid	[no description available]	medium	1	0	aromatic amide; furans
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea	[no description available]	medium	1	0	quinoxaline derivative
2-(dimethylsulfamoylamino)-9H-fluorene	[no description available]	medium	1	0	fluorenes
4-chloro-1-ethyl-3-nitro-2-quinolinone	[no description available]	medium	1	0	nitro compound; quinolines
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone	[no description available]	medium	1	0	quinolines
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde	[no description available]	medium	1	0	arenecarbaldehyde
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide	[no description available]	medium	1	0	aromatic amide
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide	[no description available]	medium	1	0	triazoles
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide	[no description available]	medium	1	0	anilide
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide	[no description available]	medium	1	0	organofluorine compound
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide	[no description available]	medium	1	0	phthalazines
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide	[no description available]	medium	1	0	phthalimides
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline	[no description available]	medium	1	0	quinolines
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole	[no description available]	medium	1	0	pyridines
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione	[no description available]	medium	1	0	phthalimides
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)	[no description available]	medium	1	0	benzimidazoles
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide	[no description available]	medium	1	0	carbazoles
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide	[no description available]	medium	1	0	primary carboxamide; pyrazines; secondary carboxamide
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide	[no description available]	medium	1	0	benzodioxoles
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea	[no description available]	medium	1	0	benzodioxine
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline	[no description available]	medium	1	0	aryl sulfide
1-[2-(2-chlorophenoxy)ethyl]benzimidazole	[no description available]	medium	1	0	benzimidazoles
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one	[no description available]	medium	1	0	C-nitro compound
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide	[no description available]	medium	1	0	sulfonamide
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone	[no description available]	medium	1	0	aromatic ketone
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine	[no description available]	medium	1	0	triazolopyridazine
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide	[no description available]	medium	1	0	aromatic ketone
oncrasin-1	[no description available]	medium	1	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide	[no description available]	medium	1	0	C-nitro compound
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde	[no description available]	medium	1	0	benzimidazoles
N-(4-anilinophenyl)-2-methylpropanamide	[no description available]	medium	1	0	anilide
N-(2-fluorophenyl)-3-phenylpropanamide	[no description available]	medium	1	0	anilide
1-[(Phenylthio)acetyl]piperidine	[no description available]	medium	1	0	N-acylpiperidine
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid	[no description available]	medium	1	0	trihydroxybenzoic acid
4-(4-morpholinylmethyl)-3-quinolinol	[no description available]	medium	1	0	quinolines
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide	[no description available]	medium	1	0	benzamides
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione	[no description available]	medium	1	0	naphthofuran
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; heteroarene
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone	[no description available]	medium	1	0	benzamides
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone	[no description available]	medium	1	0	aromatic ketone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide	[no description available]	medium	1	0	acetamides
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide	[no description available]	medium	1	0	benzamides
1-propylsulfonyl-4-(2-pyridinyl)piperazine	[no description available]	medium	1	0	piperazines; pyridines
2-(2-phenylethylthio)-3-pyridinecarboxylic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	[no description available]	medium	1	0	aromatic ether
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide	[no description available]	medium	1	0	benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide	[no description available]	medium	1	0	thiazoles
1-cyclohexyl-3-(3-ethylphenyl)urea	[no description available]	medium	1	0	ureas
n-phenylpiracetam	[no description available]	medium	1	0
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide	[no description available]	medium	1	0	biphenyls
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide	[no description available]	medium	1	0	benzamides
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide	[no description available]	medium	1	0	isoquinolines
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid	[no description available]	medium	1	0	benzamides
1,4-bis(thiophen-2-ylsulfonyl)piperazine	[no description available]	medium	1	0	N-sulfonylpiperazine; thiophenes
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide	[no description available]	medium	1	0	benzamides
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine	[no description available]	medium	1	0	piperazines
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide	[no description available]	medium	1	0
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone	[no description available]	medium	1	0	quinazolines
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea	[no description available]	medium	1	0	morpholines
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate	[no description available]	medium	1	0	carbamate ester; sulfonamide
LSM-4563	[no description available]	medium	1	0	aromatic ketone
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine	[no description available]	medium	1	0	piperazines
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide	[no description available]	medium	1	0	sulfonamide
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide	[no description available]	medium	1	0	sulfonamide
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine	[no description available]	medium	1	0	sulfonamide
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide	[no description available]	medium	1	0	sulfonamide
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline	[no description available]	medium	1	0	piperazines; pyridines
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone	[no description available]	medium	1	0	quinolines
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine	[no description available]	medium	1	0	tetrazoles
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide	[no description available]	medium	1	0	1,3-oxazoles
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone	[no description available]	medium	1	0	piperazines; pyridines
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol	[no description available]	medium	1	0	thiazolopyrimidine
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid	[no description available]	medium	1	0	aromatic amide
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid	[no description available]	medium	1	0	benzamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	medium	1	0	acetamides
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid	[no description available]	medium	1	0	methoxybenzoic acid
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide	[no description available]	medium	1	0	sulfonamide
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide	[no description available]	medium	1	0	aromatic amide
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide	[no description available]	medium	1	0	benzamides
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione	[no description available]	medium	1	0	aromatic ketone
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide	[no description available]	medium	1	0	sulfonamide
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide	[no description available]	medium	1	0	sulfonamide
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide	[no description available]	medium	1	0	benzamides
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide	[no description available]	medium	1	0	benzamides
stk295900	[no description available]	medium	1	0
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine	[no description available]	medium	1	0	piperazines
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide	[no description available]	medium	1	0	pyridazines; ring assembly
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea	[no description available]	medium	1	0	ureas
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	[no description available]	medium	1	0	methoxybenzenes
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine	[no description available]	medium	1	0	phthalazines
SMER 28	[no description available]	medium	1	0	organobromine compound; quinazolines; secondary amino compound	autophagy inducer
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester	[no description available]	medium	1	0	morpholines
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	medium	1	0	aromatic ether
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone	[no description available]	medium	1	0	N-acylpiperidine
N-(3-phenylpropyl)methanesulfonamide	[no description available]	medium	1	0	benzenes
4-acetamido-N-(2-methoxyethyl)benzamide	[no description available]	medium	1	0	amidobenzoic acid
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone	[no description available]	medium	1	0	quinolines
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	[no description available]	medium	1	0	aromatic ether
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone	[no description available]	medium	1	0	aralkylamine
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	medium	1	0	piperazinecarboxylic acid
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid	[no description available]	medium	1	0	benzamides
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene	[no description available]	medium	1	0	methoxybenzenes
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide	[no description available]	medium	1	0	sulfonamide
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	[no description available]	medium	1	0	aromatic ether
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide	[no description available]	medium	1	0	biphenyls
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one	[no description available]	medium	1	0
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol	[no description available]	medium	1	0	nitrophenol
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine	[no description available]	medium	1	0	quinazolines
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one	[no description available]	medium	1	0	aromatic ketone
Methyl(2-furoylamino)acetic acid	[no description available]	medium	1	0	N-acyl-amino acid
5-nitro-8-(1-pyrrolidinyl)quinoline	[no description available]	medium	1	0	nitro compound; quinolines
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide	[no description available]	medium	1	0	amino acid amide
2-[(4-methylphenyl)sulfonylamino]pentanoic acid	[no description available]	medium	1	0	sulfonamide
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine	[no description available]	medium	1	0
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide	[no description available]	medium	1	0	piperidines
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone	[no description available]	medium	1	0	acetamides
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile	[no description available]	medium	1	0	methoxybenzenes
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione	[no description available]	medium	1	0	pyrrolidines
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione	[no description available]	medium	1	0	pyrrolidines
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
(3,5-Dimethyl-1-adamantyl)amine nitrate	[no description available]	medium	1	0	nitrates
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol	[no description available]	medium	1	0	alkylbenzene
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine	[no description available]	medium	1	0	N-alkylpyrrolidine
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine	[no description available]	medium	1	0	aralkylamine
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide	[no description available]	medium	1	0	aromatic amide
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid	[no description available]	medium	1	0	anilide
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide	[no description available]	medium	1	0	aromatic amide
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide	[no description available]	medium	1	0	monoterpenoid
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid	[no description available]	medium	1	0	benzodioxine
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol	[no description available]	medium	1	0	aromatic compound
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile	[no description available]	medium	1	0	pyrrolidines
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol	[no description available]	medium	1	0	methoxybenzenes
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	medium	1	0	organochlorine compound; pyranopyrazole
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol	[no description available]	medium	1	0	benzimidazoles
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide	[no description available]	medium	1	0	hydroxyquinoline
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione	[no description available]	medium	1	0	pyrrolidines
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid	[no description available]	medium	1	0	anilide
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid	[no description available]	medium	1	0	organosulfur heterocyclic compound
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone	[no description available]	medium	1	0	aromatic amide; thiophenes
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone	[no description available]	medium	1	0	piperazines
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide	[no description available]	medium	1	0	aromatic amide; heteroarene
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine	[no description available]	medium	1	0	piperazines
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline	[no description available]	medium	1	0	piperazines
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide	[no description available]	medium	1	0	benzothiazoles
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide	[no description available]	medium	1	0	nitro compound; quinolines
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide	[no description available]	medium	1	0	pyrrolidines
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide	[no description available]	medium	1	0	benzamides
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene	[no description available]	medium	1	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
6,3',4'-Trimethoxyflavanone	[no description available]	medium	1	0	ether; flavonoids
1-[4-(3-ethoxyphenoxy)butyl]imidazole	[no description available]	medium	1	0	aromatic ether
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione	[no description available]	medium	1	0	phthalimides
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone	[no description available]	medium	1	0	sulfonamide
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide	[no description available]	medium	1	0	amidobenzoic acid
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid	[no description available]	medium	1	0	aromatic amide
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide	[no description available]	medium	1	0	quinolines
LSM-25805	[no description available]	medium	1	0	isoindoles
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide	[no description available]	medium	1	0	quinolines
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide	[no description available]	medium	1	0	1-benzothiophenes
nsc 727447	[no description available]	medium	1	0
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide	[no description available]	medium	1	0	acetamides
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide	[no description available]	medium	1	0	C-nitro compound; thiazoles
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine	[no description available]	medium	1	0	methoxybenzenes
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide	[no description available]	medium	1	0	pyrrolidines
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide	[no description available]	medium	1	0	sulfonamide
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide	[no description available]	medium	1	0	C-nitro compound
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide	[no description available]	medium	1	0	nitrophenol
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide	[no description available]	medium	1	0	quinolines
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine	[no description available]	medium	1	0	C-nitro compound
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one	[no description available]	medium	1	0
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide	[no description available]	medium	1	0	aromatic amide
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide	[no description available]	medium	1	0	aromatic amide; thiazoles
ex 527	[no description available]	medium	1	0	carbazoles; monocarboxylic acid amide; organochlorine compound
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one	[no description available]	medium	1	0	indoles
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one	[no description available]	medium	1	0	phenylpyridine
3-methylharman	[no description available]	medium	1	0
1-methyl-beta-carboline-3-carboxylic acid	[no description available]	medium	1	0
2-methyl-4(3h)-quinazolinone	[no description available]	medium	1	0
n(4)-desoxychlordiazepoxide	[no description available]	medium	1	0
2-amino-3-hydroxyphenazine	[no description available]	medium	1	0
2-styrylquinazolin-4(3h)-one	[no description available]	medium	1	0
2-amino-5-iodo-6-phenyl-4-pyrimidinone	[no description available]	medium	1	0
quininib	[no description available]	medium	1	0	phenols; styrylquinoline	angiogenesis inhibitor
bropirimine	[no description available]	medium	1	0	pyrimidines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one	[no description available]	medium	1	0	quinazolines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one	[no description available]	medium	1	0	quinazolines
3-phenylpropionic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
n-propionylprocainamide	[no description available]	medium	7	0
atrial natriuretic factor	[no description available]	medium	5	0	polypeptide
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	0	nitrobenzoic acid
natriuretic peptide, brain	[no description available]	medium	1	0	polypeptide
ajmaline	[no description available]	medium	98	4
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
anthranilamide	[no description available]	medium	2	0	substituted aniline
acetonitrile	[no description available]	medium	2	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
heparitin sulfate	[no description available]	medium	1	0
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester	[no description available]	medium	1	0	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
maleic anhydride	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; furans	allergen
cardiovascular agents	[no description available]	medium	24	0
cyclopropane	[no description available]	medium	3	0	cycloalkane; cyclopropanes	inhalation anaesthetic
titanium	[no description available]	medium	1	0	titanium group element atom
titanium dioxide	[no description available]	medium	1	0	titanium oxides	food colouring
betadex	[no description available]	medium	4	0	cyclodextrin
fucose	[no description available]	medium	1	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
hydrogen carbonate	[no description available]	medium	19	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
trinitrobenzenesulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
muramidase	[no description available]	medium	2	0
nifekalant hydrochloride	[no description available]	medium	4	1	amine
pyrimidinones	[no description available]	medium	4	1
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
caseins	[no description available]	medium	1	0
sepharose	[no description available]	medium	2	0
ym 758	[no description available]	medium	1	0
bafilomycin a1	[no description available]	medium	2	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
chitosan	[no description available]	medium	1	0
glucuronic acid	[no description available]	medium	2	0	D-glucuronic acid	algal metabolite
iridium	[no description available]	medium	1	0	cobalt group element atom; platinum group metal atom
platinum	[no description available]	medium	4	0	elemental platinum; nickel group element atom; platinum group metal atom
iridium oxide	[no description available]	medium	1	0
carveol	[no description available]	medium	1	0	limonene monoterpenoid	plant metabolite; volatile oil component
linoleic acid	[no description available]	medium	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
7-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
1-aminobenzotriazole	[no description available]	medium	1	0
triazoles	[no description available]	medium	1	0	1,2,3-triazole
n-(2-hydroxyethyl)nicotinamide	[no description available]	medium	1	0
manganese	[no description available]	medium	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
phosphatidylcholines	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phosphocholine
maltoheptaose	[no description available]	medium	1	0	maltoheptaose heptasaccharide
2-methylpentane	[no description available]	medium	1	0	alkane
n-hexane	[no description available]	medium	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid	[no description available]	medium	1	0	azamacrocycle	chelator; copper chelator
dithionitrobenzoic acid	[no description available]	medium	1	0	nitrobenzoic acid; organic disulfide	indicator
cellulose	[no description available]	medium	3	0	glycoside
methylcellulose	[no description available]	medium	1	0
angiotensin ii	[no description available]	medium	3	0	amino acid zwitterion; angiotensin II	human metabolite
declopramide	[no description available]	medium	7	0
igk	[no description available]	medium	1	0
pituitrin	[no description available]	medium	2	1
hexamethonium	[no description available]	medium	4	0	quaternary ammonium salt
aluminum	[no description available]	medium	1	0	boron group element atom; elemental aluminium; metal atom
k-strophanthin-beta	[no description available]	medium	1	0	cardenolide glycoside; steroid aldehyde
phenyl acetate	[no description available]	medium	6	0	benzenes; phenyl acetates
phenoxyacetic acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
bromide	[no description available]	medium	3	0	halide anion; monoatomic bromine
aconitine	[no description available]	medium	11	0
barium	[no description available]	medium	7	0	alkaline earth metal atom; elemental barium
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
adiphenine	[no description available]	medium	1	0	diarylmethane
1,3-propanediol	[no description available]	medium	1	0	propane-1,3-diols	metabolite; protic solvent
procaine amide ethobromide	[no description available]	medium	8	0
metaraminol	[no description available]	medium	10	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
lanatosides	[no description available]	medium	9	0
chlorine	[no description available]	medium	10	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
cortisone	[no description available]	medium	5	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
erythrityl tetranitrate	[no description available]	medium	2	0	nitrate ester	explosive; vasodilator agent
n-pentyl nitrite	[no description available]	medium	3	0	nitrite esters	vasodilator agent
methantheline	[no description available]	medium	2	0	xanthenes
dihydroergotoxine	[no description available]	medium	2	0
magnesium sulfate	[no description available]	medium	10	1	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
strophanthidin	[no description available]	medium	3	0	14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde
acetylstrophanthidin	[no description available]	medium	2	0	acetate ester	anti-arrhythmia drug
nitrites	[no description available]	medium	7	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
taurine	[no description available]	medium	2	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
barbituric acid	[no description available]	medium	1	0	barbiturates	allergen; xenobiotic
paraldehyde	[no description available]	medium	2	0	trioxane	sedative
rhodexin a	[no description available]	medium	1	0
glycosides	[no description available]	medium	6	0
phthalimide	[no description available]	medium	1	0	phthalimides
ammonium chloride	[no description available]	medium	3	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
mersalyl	[no description available]	medium	2	0
hydroquinidine	[no description available]	medium	2	0	cinchona alkaloid
ether	[no description available]	medium	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
mercuric chloride	[no description available]	medium	2	0	mercury coordination entity	sensitiser
glucosulfone	[no description available]	medium	1	0	sulfonamide
thiazolyl blue	[no description available]	medium	2	0	organic bromide salt	colorimetric reagent; dye
thiazoles	[no description available]	medium	4	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
trichostatin a	[no description available]	medium	2	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
isoflurophate	[no description available]	medium	2	0	dialkyl phosphate
pyrazines	[no description available]	medium	1	0	diazine; pyrazines	Daphnia magna metabolite
catechin	[no description available]	medium	1	0	catechin	antioxidant; plant metabolite
5-fluoro-2'-deoxycytidine	[no description available]	medium	1	0
cytidine	[no description available]	medium	1	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxycytidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyrimidin-2-one beta-ribofuranoside	[no description available]	medium	1	0	pyrimidine ribonucleosides
s-adenosylmethionine	[no description available]	medium	3	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
5-methyldeoxycytidine	[no description available]	medium	1	0	2'-deoxycytidine
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
dibutyryl cyclic-3',5'-cytidine monophosphate	[no description available]	medium	1	0
cyclic cmp	[no description available]	medium	1	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
potassium chloride	[no description available]	medium	21	1	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
perylene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene; perylenes
pyridostigmine bromide	[no description available]	medium	3	0	pyridinium salt
methysergide	[no description available]	medium	4	0	ergoline alkaloid
silicon	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
cyclopropylamine	[no description available]	medium	1	0	primary aliphatic amine	mouse metabolite
mocetinostat	[no description available]	medium	5	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
thiamine pyrophosphate	[no description available]	medium	4	0	organic chloride salt; vitamin B1
lithium	[no description available]	medium	6	0	alkali metal atom
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
dienestrol	[no description available]	medium	1	0
hyaluronoglucosaminidase	[no description available]	medium	1	0
piperidines	[no description available]	medium	43	1
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
n(1)-methylnicotinamide	[no description available]	medium	1	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
benzofurans	[no description available]	medium	14	2
cholestyramine resin	[no description available]	medium	3	0
pirmenol	[no description available]	medium	4	0	racemate
indocyanine green	[no description available]	medium	6	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
desethylprocainamide	[no description available]	medium	4	0
desethyl-n-acetylprocainamide	[no description available]	medium	5	0
gentamicin	[no description available]	medium	7	0
prajmaline	[no description available]	medium	4	2
4-(isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
concanavalin a	[no description available]	medium	4	0
salicylates	[no description available]	medium	11	0	monohydroxybenzoate	plant metabolite
wb 4101	[no description available]	medium	1	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
tetrodotoxin	[no description available]	medium	7	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
erythritol	[no description available]	medium	3	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
dibromosulphthalein	[no description available]	medium	1	0
quinidine gluconate	[no description available]	medium	7	0	D-gluconate adduct
bumecain	[no description available]	medium	1	0
acetyl coenzyme a	[no description available]	medium	6	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
guanylyl imidodiphosphate	[no description available]	medium	1	0	nucleoside triphosphate analogue
lead	[no description available]	medium	1	0	carbon group element atom; elemental lead; metal atom	neurotoxin
phenopyrazone	[no description available]	medium	1	0
kaolinite	[no description available]	medium	1	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
o-demethylencainide	[no description available]	medium	1	0
acebutolol	[no description available]	medium	2	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
cephalosporin c	[no description available]	medium	2	0	cephalosporin	fungal metabolite
convallatoxin	[no description available]	medium	2	0	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent
bunaftine	[no description available]	medium	2	0	naphthalenecarboxamide
azides	[no description available]	medium	3	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
tiapamil hydrochloride	[no description available]	medium	1	0
dantrolene	[no description available]	medium	7	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
indium	[no description available]	medium	1	0	boron group element atom
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
ethylmaleimide	[no description available]	medium	2	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
p-chloromercuribenzoic acid	[no description available]	medium	1	0	chlorine molecular entity; mercuribenzoic acid
butobendin	[no description available]	medium	3	0
nitracrine	[no description available]	medium	1	0	acridines
adenosine diphosphate	[no description available]	medium	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
lanatoside c	[no description available]	medium	1	0
aluminum phosphate	[no description available]	medium	1	0
barium carbonate	[no description available]	medium	1	0	carbonate salt; inorganic barium salt
carbonates	[no description available]	medium	1	0	carbon oxoanion
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
procainamide 4-hydroxylamine	[no description available]	medium	12	0	benzamides; hydroxylamines	drug metabolite
deuterium	[no description available]	medium	2	0	dihydrogen
4-nitrosodimethylaniline	[no description available]	medium	1	0	dimethylaniline; nitroso compound; tertiary amino compound
dimyristoylphosphatidylcholine	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
1,2-dimyristoylphosphatidylethanolamine	[no description available]	medium	1	0
asocainol	[no description available]	medium	1	0
tri-n-butylmethylammonium	[no description available]	medium	1	0
acetaldehyde	[no description available]	medium	2	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	2	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
scoparone	[no description available]	medium	1	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
chloralose	[no description available]	medium	4	0
tiracizine	[no description available]	medium	2	0	dibenzooxazepine
benzene	[no description available]	medium	3	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
selenium	[no description available]	medium	3	0	chalcogen; nonmetal atom	micronutrient
rh 421	[no description available]	medium	1	0
ovalbumin	[no description available]	medium	2	0
n-methylscopolamine	[no description available]	medium	1	0
beta-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
monoacetyldapsone	[no description available]	medium	1	0	acetamides; anilide; secondary carboxamide; sulfone
phenylglyoxal	[no description available]	medium	1	0	phenylacetaldehydes
maltitol	[no description available]	medium	1	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein	[no description available]	medium	1	0
erythrosine	[no description available]	medium	1	0
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
1,4-dioxane	[no description available]	medium	1	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
iodoplatinate	[no description available]	medium	1	0
ammonium hydroxide	[no description available]	medium	1	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
heptanol	[no description available]	medium	1	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
pyridine	[no description available]	medium	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
sufan	[no description available]	medium	1	0
befol	[no description available]	medium	1	0
malondialdehyde	[no description available]	medium	1	0	dialdehyde	biomarker
cocaethylene	[no description available]	medium	2	0	benzoate ester
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
diacetylmonoxime	[no description available]	medium	1	0
tetradecanoylphorbol acetate	[no description available]	medium	1	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
thromboxane b2	[no description available]	medium	1	0	thromboxanes B	human metabolite; mouse metabolite
methoxamine	[no description available]	medium	7	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
methacholine chloride	[no description available]	medium	3	0	quaternary ammonium salt
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	3	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
kn 62	[no description available]	medium	1	0	piperazines
omega-agatoxin iva	[no description available]	medium	1	0
iberiotoxin	[no description available]	medium	1	0
cyclosporine	[no description available]	medium	1	0
trimecaine	[no description available]	medium	2	0	amino acid amide
octopamine	[no description available]	medium	1	0	phenylethanolamines; tyramines	neurotransmitter
elastin	[no description available]	medium	1	0	oligopeptide
nadp	[no description available]	medium	1	0
potassium magnesium aspartate	[no description available]	medium	3	0
etafenone	[no description available]	medium	1	0	aromatic compound
fluorescamine	[no description available]	medium	1	0
tolazoline	[no description available]	medium	3	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
oxyphenonium	[no description available]	medium	2	0	acylcholine
quinuclidines	[no description available]	medium	3	0	quinuclidines; saturated organic heterobicyclic parent
2,6-dichloro-4-nitrophenol	[no description available]	medium	1	0
harmol	[no description available]	medium	1	0	harmala alkaloid
harmine	[no description available]	medium	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
nitrophenols	[no description available]	medium	1	0
fibrin	[no description available]	medium	1	0	peptide
fibrinogen	[no description available]	medium	1	0	iditol	fungal metabolite
dimethadione	[no description available]	medium	1	0	oxazolidinone
sulfisomidine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent
protopine	[no description available]	medium	1	0	dibenzazecine alkaloid	plant metabolite
iopanoic acid	[no description available]	medium	2	0	monocarboxylic acid
antimycin a	[no description available]	medium	1	0	amidobenzoic acid
glucagon	[no description available]	medium	7	0	peptide hormone
benactyzine	[no description available]	medium	2	0	diarylmethane
mercaptoethanol	[no description available]	medium	2	0	alkanethiol; primary alcohol	geroprotector
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
oxalates	[no description available]	medium	1	0
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
1-propanol	[no description available]	medium	4	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
sodium salicylate	[no description available]	medium	1	0	organic molecular entity
2,4-dinitrophenol	[no description available]	medium	1	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
neferine	[no description available]	medium	1	0
quinidine bisulfate	[no description available]	medium	2	1
ethacizine	[no description available]	medium	3	1	phenothiazines
hemicholinium 3	[no description available]	medium	1	0
canavanine	[no description available]	medium	2	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
ersentilide	[no description available]	medium	1	0
malic acid	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
tetracyanoquinodimethane	[no description available]	medium	1	0	alicyclic compound; nitrile; quinodimethane
tricalcium phosphate	[no description available]	medium	1	0	calcium phosphate
berbamine	[no description available]	medium	1	0	phenylpropanoid
allapinin	[no description available]	medium	1	0
cadralazine	[no description available]	medium	1	0	organic molecular entity
hydroxylamine	[no description available]	medium	2	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
isf 2405	[no description available]	medium	1	0
s-adenosylhomocysteine	[no description available]	medium	1	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
indecainide	[no description available]	medium	2	2	fluorenes
alpha-chymotrypsin	[no description available]	medium	1	0
bromosuccinimide	[no description available]	medium	1	0	dicarboximide; organobromine compound; pyrrolidinone	reagent
risotilide	[no description available]	medium	1	0
desethylamiodarone	[no description available]	medium	1	0	aromatic ketone
quinazolines	[no description available]	medium	2	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
cesium	[no description available]	medium	2	0	alkali metal atom
meobentine	[no description available]	medium	1	0	methoxybenzenes
methylguanidine	[no description available]	medium	1	0	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin
alpha-aminopyridine	[no description available]	medium	3	1
cysteine	[no description available]	medium	1	0	cysteinium	fundamental metabolite
phthalazine	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; phthalazines
barium chloride	[no description available]	medium	1	0	barium salt; inorganic chloride	potassium channel blocker
carbon monoxide	[no description available]	medium	1	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
2,6-xylidine	[no description available]	medium	1	0	dimethylaniline; primary arylamine	carcinogenic agent; drug metabolite
hypochlorous acid	[no description available]	medium	1	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
pralidoxime	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
famotidine	[no description available]	medium	1	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
pentylenetetrazole	[no description available]	medium	1	1	organic heterobicyclic compound; organonitrogen heterocyclic compound
nafronyl	[no description available]	medium	1	1	naphthalenes
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
methylthymidine	[no description available]	medium	1	0
thiourea	[no description available]	medium	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
thromboxanes	[no description available]	medium	1	0
guanosine	[no description available]	medium	2	0	guanosines; purines D-ribonucleoside	fundamental metabolite
brevicarine	[no description available]	medium	1	0	harmala alkaloid
pyrroles	[no description available]	medium	1	0	pyrrole; secondary amine
nad	[no description available]	medium	2	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cadaverine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
monodansylcadaverine	[no description available]	medium	1	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
norlorcainide	[no description available]	medium	1	0
benzoylcholine	[no description available]	medium	1	0	benzoate ester
fluorides	[no description available]	medium	1	0	halide anion; monoatomic fluorine
arsenic	[no description available]	medium	1	0	metalloid atom; pnictogen	micronutrient
cyanides	[no description available]	medium	2	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
hydroxyproline	[no description available]	medium	1	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
proline	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
hydroxylysine	[no description available]	medium	1	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
pentaerythritol tetranitrate	[no description available]	medium	3	1	pentaerythritol nitrate	explosive; vasodilator agent
mercury	[no description available]	medium	2	0	elemental mercury; zinc group element atom	neurotoxin
nafenopin	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid
acridines	[no description available]	medium	2	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
chlorisondamine	[no description available]	medium	1	0	isoindoles
oxazoles	[no description available]	medium	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
trimethaphan	[no description available]	medium	1	0	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
nitrous oxide	[no description available]	medium	1	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
mephenesin	[no description available]	medium	1	0	aromatic ether; glycerol ether
phlorhizin	[no description available]	medium	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
dibenzylchlorethamine	[no description available]	medium	1	0
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
carbamates	[no description available]	medium	3	0	amino-acid anion
thromboplastin	[no description available]	medium	1	0
gold	[no description available]	medium	1	0	copper group element atom; elemental gold
biguanides	[no description available]	medium	1	0	guanidines
phosphorus	[no description available]	medium	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
phenanthrenes	[no description available]	medium	2	0
methyl chloride	[no description available]	medium	1	0	chloromethanes; methyl halides	marine metabolite; mutagen; refrigerant
echothiophate iodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	antiglaucoma drug; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
galactose	[no description available]	medium	1	0
fluorine	[no description available]	medium	1	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
chlorine	[no description available]	medium	1	0	diatomic chlorine; gas molecular entity	bleaching agent
vitamin b 12	[no description available]	medium	1	0
histidine	[no description available]	medium	1	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
naphazoline	[no description available]	medium	1	0	naphthalenes
iodine	[no description available]	medium	2	0	diatomic iodine	nutrient
veratrine	[no description available]	medium	1	0	alkaloid
levallorphan	[no description available]	medium	1	0	morphinane alkaloid
copper gluconate	[no description available]	medium	2	0	organic molecular entity
cholecystokinin	[no description available]	medium	1	0
sulfites	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
glycogen	[no description available]	medium	2	0
barium sulfate	[no description available]	medium	2	2	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
acetylene	[no description available]	medium	1	0	alkyne; gas molecular entity; terminal acetylenic compound
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
gastrins	[no description available]	medium	1	0
bismuth	[no description available]	medium	1	0	metal atom; pnictogen
trolamine salicylate	[no description available]	medium	14	0
4-methoxyamphetamine	[no description available]	medium	3	0
egg white	[no description available]	medium	1	0
fomesafen	[no description available]	medium	6	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
hypericum	[no description available]	medium	1	0	penicillanic acids
isomethyleugenol	[no description available]	medium	6	0	isomethyleugenol
sodium ethylxanthate	[no description available]	medium	1	0
torpedo	[no description available]	medium	1	0
eye	[no description available]	medium	3	0
apnea	[no description available]	medium	1	0	purine nucleoside
5-(n,n-hexamethylene)amiloride	[no description available]	low	0	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	low	0	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
amiloride hydrochloride, anhydrous	[no description available]	low	0	0	hydrochloride	diuretic; sodium channel blocker
amiloride hydrochloride	[no description available]	low	0	0	hydrate	diuretic; sodium channel blocker
10-hydroxycarbamazepine	[no description available]	low	0	0	carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen; sodium channel blocker
saxitoxin	[no description available]	low	0	0	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin
lidocaine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
4-hydroxyphenylethanol	[no description available]	low	0	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
mexiletine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug
deslanoside	[no description available]	low	0	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
propafenone hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug
carteolol hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
procainamide hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug
sotalol hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
asl 8052	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
acebutolol hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
timolol maleate	[no description available]	low	0	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
polydatin	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
acetyldigitoxin	[no description available]	low	0	0	cardenolide glycoside	anti-arrhythmia drug; cardiotonic drug; enzyme inhibitor
cinalukast	[no description available]	low	0	0	1,3-thiazoles; carboxylic acid	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
lidocaine hydrochloride	[no description available]	low	0	0	hydrate	anti-arrhythmia drug; local anaesthetic
4-phenyl-3-furoxancarbonitrile	[no description available]	low	0	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
fenofibrate	[no description available]	low	0	0	benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	low	0	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
2-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
tetramethylpyrazine	[no description available]	low	0	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
diallyl trisulfide	[no description available]	low	0	0	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent
glaucine	[no description available]	low	0	0	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite
1,2-benzisothiazoline-3-one	[no description available]	low	0	0	organic heterobicyclic compound; organonitrogen heterocyclic compound	disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic
clonixin	[no description available]	low	0	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
azelastine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
carmoxirole	[no description available]	low	0	0	indolecarboxylic acid; tertiary amino compound; tetrahydropyridine	antihypertensive agent; dopamine agonist; platelet aggregation inhibitor
miroprofen	[no description available]	low	0	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
galgravin	[no description available]	low	0	0	aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly	bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor
s-nitrosoglutathione	[no description available]	low	0	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
actinodaphine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
taiwanin c	[no description available]	low	0	0	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor
aglafoline	[no description available]	low	0	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
surfactin c	[no description available]	low	0	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant
8-prenylnaringenin	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor
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
vitexin	[no description available]	low	0	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
6-ketoprostaglandin e1	[no description available]	low	0	0	prostaglandins E	metabolite; platelet aggregation inhibitor
isobavachalcone	[no description available]	low	0	0	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor
sciadopitysin	[no description available]	low	0	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	bone density conservation agent; platelet aggregation inhibitor
syringetin	[no description available]	low	0	0	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor
n-cinnamoyltyramine	[no description available]	low	0	0	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor
methyl brevifolincarboxylate	[no description available]	low	0	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
neobavaisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside	[no description available]	low	0	0	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor
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
u 62840	[no description available]	low	0	0	carbotricyclic compound; carboxylic acid	antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist
s-nitrosocysteine	[no description available]	low	0	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
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
ticagrelor	[no description available]	low	0	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
selexipag	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
mre 269	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent
vorapaxar	[no description available]	low	0	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
edoxaban	[no description available]	low	0	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
beraprost sodium	[no description available]	low	0	0	organic sodium salt	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lfm a13	[no description available]	low	0	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
ML355	[no description available]	low	0	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
3-aminobenzamide	[no description available]	low	0	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ci 994	[no description available]	low	0	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
2-hexyloxybenzamide	[no description available]	low	0	0	aromatic ether; benzamides	antifungal agent
itopride	[no description available]	low	0	0	benzamides
lorglumide	[no description available]	low	0	0	benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	[no description available]	low	0	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
entinostat	[no description available]	low	0	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
nemonapride	[no description available]	low	0	0	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline
niclosamide	[no description available]	low	0	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
picotamide	[no description available]	low	0	0	benzamides
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
troxipide	[no description available]	low	0	0	benzamides
zm 336372	[no description available]	low	0	0	benzamides
iodohippuric acid	[no description available]	low	0	0	benzamides; N-acylglycine; organoiodine compound
benzoylarginine-2-naphthylamide	[no description available]	low	0	0	arginine derivative; benzamides; N-(2-naphthyl)carboxamide
ameltolide	[no description available]	low	0	0	benzamides
rebemide	[no description available]	low	0	0	benzamides
2,6-dichlorobenzamide	[no description available]	low	0	0	benzamides; dichlorobenzene	herbicide; marine xenobiotic metabolite
fluorophene	[no description available]	low	0	0	benzamides
2-toluanilide	[no description available]	low	0	0	benzamides; benzanilide fungicide
capobenic acid	[no description available]	low	0	0	benzamides
pronamide	[no description available]	low	0	0	benzamides; dichlorobenzene; terminal acetylenic compound	agrochemical; herbicide
clanobutin	[no description available]	low	0	0	benzamides
N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide	[no description available]	low	0	0	benzamides
flutolanil	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
pancopride	[no description available]	low	0	0	benzamides
octylonium	[no description available]	low	0	0	benzamides
parsalmide	[no description available]	low	0	0	benzamides
isoxaben	[no description available]	low	0	0	benzamides; isoxazoles	cellulose synthesis inhibitor; herbicide
4-Methoxybenzamide	[no description available]	low	0	0	benzamides
benzoyltyrosine ethyl ester	[no description available]	low	0	0	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound
salifungin	[no description available]	low	0	0	benzamides
n-benzoyl-l-arginine	[no description available]	low	0	0	benzamides; N-acyl-L-arginine
gr 127935	[no description available]	low	0	0	1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine
zacopride	[no description available]	low	0	0	benzamides
mozavaptan	[no description available]	low	0	0	benzamides	aquaretic
zoxamide	[no description available]	low	0	0	alpha-chloroketone; benzamides; dichlorobenzene
ly 188544	[no description available]	low	0	0	benzamides
gr 55562	[no description available]	low	0	0	benzamides
n-(2,6-dimethylphenyl)-4-(((diethylamino)acetyl)amino)benzamide	[no description available]	low	0	0	benzamides
n-benzoyltyrosine	[no description available]	low	0	0	benzamides; N-acyl-L-tyrosine
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
brovanexine	[no description available]	low	0	0	benzamides
aminopotentidine	[no description available]	low	0	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist
asperphenamate	[no description available]	low	0	0	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent
N-(3-fluorophenyl)benzamide	[no description available]	low	0	0	benzamides
benzoylphenylalanine	[no description available]	low	0	0	benzamides; N-acyl-amino acid
2-methoxy-N-[2-(methylthio)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-(4-fluorobenzoylamino)benzoic acid methyl ester	[no description available]	low	0	0	benzamides
xv 638	[no description available]	low	0	0	1,3-thiazoles; benzamides; diazepanone; diol; secondary alcohol; secondary carboxamide; ureas	HIV protease inhibitor
roflumilast	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
2-(3-benzamidophenoxy)acetic acid	[no description available]	low	0	0	benzamides
ck-0944666	[no description available]	low	0	0	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor
gw9662	[no description available]	low	0	0	benzamides
2-methoxy-N-[6-(1-oxobutylamino)-3-pyridinyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide	[no description available]	low	0	0	benzamides
[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-phenylmethanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
4-methyl-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide	[no description available]	low	0	0	benzamides
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-4-(1-tetrazolyl)benzamide	[no description available]	low	0	0	benzamides
N-[2,5-diethoxy-4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]-2-furancarboxamide	[no description available]	low	0	0	benzamides
(2,4-difluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
4-methyl-N-(2-methyl-5-tetrazolyl)benzamide	[no description available]	low	0	0	benzamides
N-[2,5-dimethoxy-4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(4-fluorophenyl)-4-(2-oxolanylmethylsulfamoyl)benzamide	[no description available]	low	0	0	benzamides
azidopine	[no description available]	low	0	0	benzamides
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide	[no description available]	low	0	0	benzamides
2,3,4,5,6-pentafluoro-N-(phenylmethyl)benzamide	[no description available]	low	0	0	benzamides
N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide	[no description available]	low	0	0	benzamides
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide	[no description available]	low	0	0	benzamides
2-[[(4-acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid	[no description available]	low	0	0	benzamides
4-tert-butyl-N-[4-(4-morpholinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide	[no description available]	low	0	0	benzamides
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-methoxy-N-(3-pyridinylmethyl)benzamide	[no description available]	low	0	0	benzamides
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[(4-pyrimidinylthio)methyl]benzamide	[no description available]	low	0	0	benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-4-tert-butylbenzamide	[no description available]	low	0	0	benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylbenzamide	[no description available]	low	0	0	benzamides
N-(3,4-dimethoxyphenyl)-4-methoxybenzamide	[no description available]	low	0	0	benzamides
N-[2-[(4-methylanilino)-oxomethyl]phenyl]-3-pyridinecarboxamide	[no description available]	low	0	0	benzamides
N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide	[no description available]	low	0	0	benzamides
3-ethoxy-N-(2-thiazolyl)benzamide	[no description available]	low	0	0	benzamides
N-(2,4-difluorophenyl)-3-methoxybenzamide	[no description available]	low	0	0	benzamides
4-[[(4-acetyloxy-3-methoxyphenyl)-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
acetic acid [4-[(4-hydroxyanilino)-oxomethyl]-2-methoxyphenyl] ester	[no description available]	low	0	0	benzamides
N-(4-benzamido-2-chlorophenyl)-2-furancarboxamide	[no description available]	low	0	0	benzamides
2-(hydroxymethyl)-N-(phenylmethyl)benzamide	[no description available]	low	0	0	benzamides
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid	[no description available]	low	0	0	benzamides
2-chloro-4-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-ethoxy-N-(2-hydroxyphenyl)benzamide	[no description available]	low	0	0	benzamides
3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide	[no description available]	low	0	0	benzamides
3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester	[no description available]	low	0	0	benzamides
2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(4-anilinophenyl)-3,4-dimethoxybenzamide	[no description available]	low	0	0	benzamides
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide	[no description available]	low	0	0	benzamides
N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide	[no description available]	low	0	0	benzamides
N-(3-acetamidophenyl)-2-methoxybenzamide	[no description available]	low	0	0	benzamides
N-(3-acetylphenyl)-3-ethoxybenzamide	[no description available]	low	0	0	benzamides
2-[[(3-bromophenyl)-oxomethyl]amino]-5-hydroxybenzoic acid	[no description available]	low	0	0	benzamides
4-chloro-N-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
3-[[[3-(4-methoxyphenyl)phenyl]-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
3-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide	[no description available]	low	0	0	benzamides
4-tert-butyl-N-(4-methyl-3-nitrophenyl)benzamide	[no description available]	low	0	0	benzamides
N-(3-methoxyphenyl)-4-[(2-methyl-1-oxopropyl)amino]benzamide	[no description available]	low	0	0	benzamides
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide	[no description available]	low	0	0	benzamides
4-chloro-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester	[no description available]	low	0	0	benzamides
N-(4-methoxyphenyl)-2-(methylthio)benzamide	[no description available]	low	0	0	benzamides
N-[3-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]phenyl]carbamic acid ethyl ester	[no description available]	low	0	0	benzamides
2,4-dimethyl-N-[4-(1-pyrrolidinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methoxybenzamide	[no description available]	low	0	0	benzamides
5-chloro-N-(2-furanylmethyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide	[no description available]	low	0	0	benzamides
4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
3-bromo-5-ethoxy-N-(4-fluorophenyl)-4-methoxybenzamide	[no description available]	low	0	0	benzamides
2-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide	[no description available]	low	0	0	benzamides
4-[4-[[(3,4-dimethylphenyl)-oxomethyl]amino]phenoxy]phthalic acid	[no description available]	low	0	0	benzamides
5-ethyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester	[no description available]	low	0	0	benzamides
3-chloro-N-[3-nitro-5-(2-pyridinylthio)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-chloro-2-[(2-ethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide	[no description available]	low	0	0	benzamides
4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester	[no description available]	low	0	0	benzamides
3,4-dimethoxy-N-[4-[oxo(1-piperidinyl)methyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
2-fluoro-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide	[no description available]	low	0	0	benzamides
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide	[no description available]	low	0	0	benzamides
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide	[no description available]	low	0	0	benzamides
2-[[[3-[2-(4-methylphenyl)sulfonylethylthio]phenyl]-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
4-chloro-N-[3-chloro-4-(4-morpholinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(3-methoxyphenyl)-4-(1-oxopropylamino)benzamide	[no description available]	low	0	0	benzamides
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide	[no description available]	low	0	0	benzamides
[2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
N-[2,5-diethoxy-4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamide	[no description available]	low	0	0	benzamides
N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]-4-methoxybenzamide	[no description available]	low	0	0	benzamides
N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamide	[no description available]	low	0	0	benzamides
2-(4-chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
2-(3-chlorophenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
2-(4-chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
5-bromo-2-furancarboxylic acid (3-benzamidophenyl) ester	[no description available]	low	0	0	benzamides
(4-ethoxyphenyl)-[4-[(4-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone	[no description available]	low	0	0	benzamides
[4-[(2-bromophenoxy)methyl]phenyl]-(1-piperidinyl)methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
3-[(4-bromophenoxy)methyl]-N-(5-methyl-3-isoxazolyl)benzamide	[no description available]	low	0	0	benzamides
3-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-[(N-methylanilino)-oxomethyl]phenyl]-2-furancarboxamide	[no description available]	low	0	0	benzamides
2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide	[no description available]	low	0	0	benzamides
4-chloro-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-5-phenyl-3-furancarboxylic acid	[no description available]	low	0	0	benzamides
N-(3,5-dichlorophenyl)-2-(methanesulfonamido)benzamide	[no description available]	low	0	0	benzamides
N-(5-chloro-2-methylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide	[no description available]	low	0	0	benzamides
2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide	[no description available]	low	0	0	benzamides
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide	[no description available]	low	0	0	benzamides
2-bromo-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-methoxy-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester	[no description available]	low	0	0	benzamides
2,4,5-trimethoxy-N-(2-phenylphenyl)benzamide	[no description available]	low	0	0	benzamides
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[[[3-methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
4-methyl-N-[2-methyl-1,3-bis[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl]benzamide	[no description available]	low	0	0	benzamides
[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-methyl-1-piperazinyl)methanone	[no description available]	low	0	0	benzamides
N-(2-furanylmethyl)-2-[[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzamide	[no description available]	low	0	0	benzamides
2-[(2-cyanophenyl)thio]-N-[4-[dimethylamino(oxo)methyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-(2-furanylmethyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide	[no description available]	low	0	0	benzamides
N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide	[no description available]	low	0	0	benzamides
4-cyano-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide	[no description available]	low	0	0	benzamides
4-tert-butyl-N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]benzamide	[no description available]	low	0	0	benzamides
(2,6-difluorophenyl)-[4-(5-fluoro-2-methyl-1-benzimidazolyl)-1-piperidinyl]methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide	[no description available]	low	0	0	benzamides
(4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamide	[no description available]	low	0	0	benzamides
4-[[(3,6-dichloro-2-methoxyphenyl)-oxomethyl]amino]benzoic acid propyl ester	[no description available]	low	0	0	benzamides
N-(2,4-dichlorophenyl)-4-phenylbenzamide	[no description available]	low	0	0	benzamides
4-butoxy-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
fm19g11	[no description available]	low	0	0	benzamides
N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-nitrobenzamide	[no description available]	low	0	0	benzamides
3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide	[no description available]	low	0	0	benzamides
2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide	[no description available]	low	0	0	benzamides
acetic acid [4-[[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]anilino]-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester	[no description available]	low	0	0	benzamides
3-methoxy-N-(2,3,4-trifluorophenyl)benzamide	[no description available]	low	0	0	benzamides
2-phenylacetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester	[no description available]	low	0	0	benzamides
4-[[(2-nitrophenyl)-oxomethyl]amino]benzoic acid propyl ester	[no description available]	low	0	0	benzamides
2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl ester	[no description available]	low	0	0	benzamides
2-bromo-N-[3-(1-oxopentylamino)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide	[no description available]	low	0	0	benzamides
3-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-(diethylsulfamoyl)phenyl]-4-(4-morpholinylmethyl)benzamide	[no description available]	low	0	0	benzamides
3,5-dimethyl-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide	[no description available]	low	0	0	benzamides
3-[[[3-[(3-nitrophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamide	[no description available]	low	0	0	benzamides
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide	[no description available]	low	0	0	benzamides
4-methyl-N-(2-phenylphenyl)-3-(phenylsulfamoyl)benzamide	[no description available]	low	0	0	benzamides
3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone	[no description available]	low	0	0	benzamides
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester	[no description available]	low	0	0	benzamides
2-bromo-N-(4-ethylphenyl)benzamide	[no description available]	low	0	0	benzamides
4-amino-N-(2-methoxyphenyl)benzamide	[no description available]	low	0	0	benzamides
4-(difluoromethoxy)-N-[5-[[4-(difluoromethylthio)phenyl]methyl]-2-thiazolyl]benzamide	[no description available]	low	0	0	benzamides
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-morpholinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-(dimethylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide	[no description available]	low	0	0	benzamides
4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide	[no description available]	low	0	0	benzamides
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide	[no description available]	low	0	0	benzamides
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide	[no description available]	low	0	0	benzamides
3-[3-[2-(2-carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester	[no description available]	low	0	0	benzamides
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
5-(dimethylsulfamoyl)-N-(diphenylmethyl)-2-(1-pyrrolidinyl)benzamide	[no description available]	low	0	0	benzamides
2-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide	[no description available]	low	0	0	benzamides
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide	[no description available]	low	0	0	benzamides
2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester	[no description available]	low	0	0	benzamides
4-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide	[no description available]	low	0	0	benzamides
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide	[no description available]	low	0	0	benzamides
3-methoxy-N-(4-methyl-2-thiazolyl)benzamide	[no description available]	low	0	0	benzamides
3-(diethylsulfamoyl)-N-(3,5-dimethylphenyl)benzamide	[no description available]	low	0	0	benzamides
3,4-dimethyl-N-[4-(4-methylpiperazino)benzyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-(5-oxazolyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N1-(2,6-dimorpholino-3-pyridyl)-4-methylbenzamide	[no description available]	low	0	0	benzamides
2-chloro-N-[3-cyano-4-[(4-methoxyphenyl)thio]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide	[no description available]	low	0	0	benzamides
sirtinol	[no description available]	low	0	0	aldimine; benzamides; naphthols	anti-inflammatory agent; EC 3.5.1.98 (histone deacetylase) inhibitor; Sir2 inhibitor
N-[1-(3-methoxyphenyl)-3-(1-naphthalenylamino)-3-oxopropyl]benzamide	[no description available]	low	0	0	benzamides
N-[3-(1-naphthalenylamino)-3-oxo-1-phenylpropyl]benzamide	[no description available]	low	0	0	benzamides
4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamide	[no description available]	low	0	0	benzamides
N-(4-methoxy-2-nitrophenyl)-3-[(2-methyl-1-oxopropyl)amino]benzamide	[no description available]	low	0	0	benzamides
3,4,5-triethoxy-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide	[no description available]	low	0	0	benzamides
N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide	[no description available]	low	0	0	benzamides
4-methoxy-N-[4-[1-[(4-methoxyanilino)-oxomethyl]cyclopentyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide	[no description available]	low	0	0	benzamides
N-[4-(6-imidazo[2,1-b]thiazolyl)phenyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide	[no description available]	low	0	0	benzamides
norcisapride	[no description available]	low	0	0	benzamides
prucalopride	[no description available]	low	0	0	benzamides
Dihydroalatamide	[no description available]	low	0	0	benzamides
4-methoxy-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide	[no description available]	low	0	0	benzamides
N-(2-hydroxy-5-nitrophenyl)-3-nitrobenzamide	[no description available]	low	0	0	benzamides
N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-fluorobenzamide	[no description available]	low	0	0	benzamides
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-butan-2-yl-4-[4-oxo-3-(phenylmethyl)-2-thiazolidinyl]benzamide	[no description available]	low	0	0	benzamides
4-[3-(2-furanylmethyl)-4-oxo-2-thiazolidinyl]-N-(3-propan-2-yloxypropyl)benzamide	[no description available]	low	0	0	benzamides
2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide	[no description available]	low	0	0	benzamides
3-chloro-4-ethoxy-N-[3-(2-oxazolo[5,4-b]pyridinyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-[[(3-methoxyphenyl)-oxomethyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
3-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid	[no description available]	low	0	0	benzamides
N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamide	[no description available]	low	0	0	benzamides
N-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzamide	[no description available]	low	0	0	benzamides
sb-224289	[no description available]	low	0	0	1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound	serotonergic antagonist
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide	[no description available]	low	0	0	benzamides
1-[(4-chlorophenyl)-oxomethyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide	[no description available]	low	0	0	benzamides; N-acylpiperidine
N-(4-bromophenyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide	[no description available]	low	0	0	benzamides; thienopyrimidine
4-(3,5-dimethyl-1-pyrazolyl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide	[no description available]	low	0	0	benzamides
N-cycloheptyl-4-(2-oxolanylmethoxy)benzamide	[no description available]	low	0	0	benzamides
2-(4-methoxyphenyl)acetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester	[no description available]	low	0	0	benzamides
2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide	[no description available]	low	0	0	benzamides
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide	[no description available]	low	0	0	benzamides
2-[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]propanedioic acid dimethyl ester	[no description available]	low	0	0	benzamides
N-(3,5-dimethylphenyl)-2-(2-nitroethyl)benzamide	[no description available]	low	0	0	benzamides
N-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide	[no description available]	low	0	0	benzamides
N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide	[no description available]	low	0	0	benzamides
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide	[no description available]	low	0	0	benzamides
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide	[no description available]	low	0	0	benzamides
3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamide	[no description available]	low	0	0	benzamides
N-[3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamide	[no description available]	low	0	0	benzamides
N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester	[no description available]	low	0	0	benzamides
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamide	[no description available]	low	0	0	benzamides
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide	[no description available]	low	0	0	benzamides
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	[no description available]	low	0	0	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide	[no description available]	low	0	0	benzamides
N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzamide	[no description available]	low	0	0	benzamides
4-methyl-N-[2-[(5-oxo-2,3-dihydrothiazolo[2,3-b]quinazolin-3-yl)methylthio]phenyl]benzamide	[no description available]	low	0	0	benzamides
4-cyano-N-[4-thiophen-2-yl-5-(2,2,2-trifluoro-1-oxoethyl)-2-thiazolyl]benzamide	[no description available]	low	0	0	benzamides
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide	[no description available]	low	0	0	benzamides
N-[4-(4-fluorophenyl)-2-thiazolyl]-3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzamide	[no description available]	low	0	0	benzamides
N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide	[no description available]	low	0	0	benzamides
N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-cyanobenzamide	[no description available]	low	0	0	benzamides
2-(4-methylphenoxy)-N-[2-[oxo(1-piperidinyl)methyl]phenyl]acetamide	[no description available]	low	0	0	benzamides; N-acylpiperidine
imd 0354	[no description available]	low	0	0	benzamides
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide	[no description available]	low	0	0	benzamides
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide	[no description available]	low	0	0	benzamides
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	[no description available]	low	0	0	benzamides
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide	[no description available]	low	0	0	benzamides
tiapridex	[no description available]	low	0	0	benzamides
[2-methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
axitinib	[no description available]	low	0	0	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(3-ethylphenyl)benzamide	[no description available]	low	0	0	benzamides
LSM-32377	[no description available]	low	0	0	benzamides
ispinesib	[no description available]	low	0	0	benzamides
fk 866	[no description available]	low	0	0	benzamides; N-acylpiperidine
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide	[no description available]	low	0	0	benzamides
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone	[no description available]	low	0	0	benzamides; N-acylpiperidine
midostaurin	[no description available]	low	0	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
bms201038	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzamides; fluorenes; piperidines	anticholesteremic drug; MTP inhibitor
cgp 74588	[no description available]	low	0	0	benzamides
zm 447439	[no description available]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
tak-715	[no description available]	low	0	0	benzamides
masitinib	[no description available]	low	0	0	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide	[no description available]	low	0	0	1,3,4-oxadiazoles; benzamides; biphenyls; nitrile	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
betrixaban	[no description available]	low	0	0	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
nigerloxin	[no description available]	low	0	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
myxochelin b	[no description available]	low	0	0	benzamides; catechols	bacterial metabolite; siderophore
fluopicolide	[no description available]	low	0	0	benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound	antifungal agrochemical
eluxadoline	[no description available]	low	0	0	amino acid amide; benzamides; imidazoles; L-phenylalanine derivative; methoxybenzoic acid	delta-opioid receptor antagonist; gastrointestinal drug; kappa-opioid receptor agonist; mu-opioid receptor agonist
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide	[no description available]	low	0	0	benzamides
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide	[no description available]	low	0	0	benzamides
chir 090	[no description available]	low	0	0	acetylenic compound; benzamides; hydroxamic acid; L-threonine derivative; morpholines	antimicrobial agent; EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor; lipopolysaccharide biosynthesis inhibitor
ki11502	[no description available]	low	0	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
az-628	[no description available]	low	0	0	benzamides
at 13387	[no description available]	low	0	0	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor
4-[[[2-(cyclohexylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-N-(4-ethoxyphenyl)benzamide	[no description available]	low	0	0	benzamides
chidamide	[no description available]	low	0	0	benzamides
N-(3,5-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide	[no description available]	low	0	0	benzamides
mdv 3100	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
3-nitro-4-(2-oxolanylmethylamino)-N-(2-phenylethyl)benzamide	[no description available]	low	0	0	benzamides
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide	[no description available]	low	0	0	aminopyrimidine; benzamides	protein kinase inhibitor
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
N-[3-[2-(4-chloroanilino)-4-thiazolyl]phenyl]-3-(trifluoromethyl)benzamide	[no description available]	low	0	0	benzamides
3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide	[no description available]	low	0	0	benzamides
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-5-oxazolecarboxamide	[no description available]	low	0	0	benzamides
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamide	[no description available]	low	0	0	benzamides
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide	[no description available]	low	0	0	benzamides
3-(4-bromophenyl)-N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-1H-pyrazole-5-carboxamide	[no description available]	low	0	0	benzamides
N-[3-amino-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide	[no description available]	low	0	0	benzamides
nvp-bhg712	[no description available]	low	0	0	benzamides
respirantin	[no description available]	low	0	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3-methylbutan-2-ylamino)methyl]benzamide	[no description available]	low	0	0	benzamides
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
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide	[no description available]	low	0	0	benzamides
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzamide	[no description available]	low	0	0	benzamides
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
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
3-[[1-[1-(methylthio)propan-2-yl]-4-piperidinyl]oxy]-N-(2-pyridinylmethyl)benzamide	[no description available]	low	0	0	benzamides
3-[[1-(dimethylsulfamoyl)-4-piperidinyl]oxy]-N-[(3-methyl-5-isoxazolyl)methyl]benzamide	[no description available]	low	0	0	benzamides
ponatinib	[no description available]	low	0	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide	[no description available]	low	0	0	benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
4-tert-butyl-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide	[no description available]	low	0	0	benzamides
4-ethoxy-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide	[no description available]	low	0	0	benzamides
GRL-0617	[no description available]	low	0	0	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	[no description available]	low	0	0	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide	[no description available]	low	0	0	benzamides
entrectinib	[no description available]	low	0	0	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ixazomib	[no description available]	low	0	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamide	[no description available]	low	0	0	benzamides
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide	[no description available]	low	0	0	benzamides
N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[cyclohexyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide	[no description available]	low	0	0	benzamides
KOM70144	[no description available]	low	0	0	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor
iwr-1 endo	[no description available]	low	0	0	benzamides; bridged compound; dicarboximide; quinolines	axin stabilizer; Wnt signalling inhibitor
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
xl765	[no description available]	low	0	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
azd4547	[no description available]	low	0	0	benzamides; N-arylpiperazine; pyrazoles	fibroblast growth factor receptor antagonist
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	[no description available]	low	0	0	benzamides; N-acylpiperidine
entecavir	[no description available]	low	0	0	benzamides; N-acylpiperidine
acp-196	[no description available]	low	0	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pf-06463922	[no description available]	low	0	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
DDR1-IN-1	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide	[no description available]	low	0	0	benzamides
PF-06446846	[no description available]	low	0	0	benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine	antilipemic drug; EC 3.4.21.61 (kexin) inhibitor
5,10-methylenetetrahydrofolic acid	[no description available]	low	0	0	benzamides; methylenetetrahydrofolic acid
N-cyclohexyl-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide	[no description available]	low	0	0	benzamides

Article	Year
Lysosomotropic cationic drugs induce cytostatic and cytotoxic effects: Role of liposolubility and autophagic flux and antagonism by cholesterol ablation. Toxicology and applied pharmacology, 08-15, Volume: 305	2016
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
In vitro metabolism of a model cyclopropylamine to reactive intermediate: insights into trovafloxacin-induced hepatotoxicity. Chemical research in toxicology, Volume: 21, Issue: 3	2008
A comparative study of the efficacy and safety of procainamide versus propafenone versus amiodarone for the conversion of recent-onset atrial fibrillation. The American journal of cardiology, Jun-15, Volume: 99, Issue: 12	2007
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
Intrapericardial drug delivery: pharmacologic properties and long-term safety in swine. International journal of cardiology, Mar-30, Volume: 99, Issue: 3	2005
Alkylating benzamides with melanoma cytotoxicity. Melanoma research, Volume: 14, Issue: 5	2004
Reduction of cisplatin hepatotoxicity by procainamide hydrochloride in rats. European journal of pharmacology, May-10, Volume: 442, Issue: 3	2002
Reduction of cisplatin nephrotoxicity by procainamide: does the formation of a cisplatin-procainamide complex play a role? The Journal of pharmacology and experimental therapeutics, Volume: 293, Issue: 3	2000
Pharmacokinetics and central nervous system toxicity of declopramide (3-chloroprocainamide) in rats and mice. Anti-cancer drugs, Volume: 10, Issue: 1	1999
Conversion efficacy and safety of intravenous ibutilide compared with intravenous procainamide in patients with atrial flutter or fibrillation. Journal of the American College of Cardiology, Volume: 31, Issue: 6	1998
Toxicity, antitumor and chemosensitizing effects of 3-chloroprocainamide. Acta oncologica (Stockholm, Sweden), Volume: 36, Issue: 8	1997
Efficacy and safety of procainamide in preventing arrhythmias after coronary artery bypass surgery. The American journal of cardiology, Nov-01, Volume: 78, Issue: 9	1996
Effect of the antiarrhythmic drug procainamide on the toxicity and antitumor activity of cis-diamminedichloroplatinum(II). Toxicology and applied pharmacology, Volume: 140, Issue: 2	1996
Electrophysiologic mechanisms of adverse effects of class I antiarrhythmic drugs (cibenzoline, pilsicainide, disopyramide, procainamide) in induction of atrioventricular re-entrant tachycardia. Cardiovascular drugs and therapy, Volume: 10, Issue: 2	1996
Modulation of procainamide toxicity by selenium-enriched yeast in rats. Archives of toxicology, Volume: 67, Issue: 10	1993
Testing of metoclopramide and procainamide for their ability to induce genotoxic effects in cultured mammalian cells. Toxicology and applied pharmacology, Volume: 131, Issue: 2	1995
Conversion of atrial flutter in pediatric patients by transesophageal atrial pacing: a safe, effective, minimally invasive procedure. American heart journal, Volume: 130, Issue: 2	1995
Hemodynamic, electrocardiographic and toxic effects of the intravenous administration of increasing doses of mexiletine in the dog. Comparison with similar effects produced by other antiarrhythmics. Acta cardiologica. Supplementum, Issue: 25	1980
Efficacy and safety of N-acetylprocainamide in long-term treatment of ventricular arrhythmias. Clinical pharmacology and therapeutics, Volume: 33, Issue: 5	1983
Efficacy, plasma concentrations and adverse effects of a new sustained release procainamide preparation. The American journal of cardiology, Volume: 46, Issue: 5	1980
Antiarrhythmic efficacy, pharmacokinetics and safety of N-acetylprocainamide in human subjects: comparison with procainamide. The American journal of cardiology, Volume: 46, Issue: 3	1980
"Doom anxiety" and delirium in lidocaine toxicity. The American journal of psychiatry, Volume: 144, Issue: 2	1987
Cytotoxicity of oxidative metabolites of procainamide. The Journal of pharmacology and experimental therapeutics, Volume: 242, Issue: 3	1987
Digitalis toxicity. Annual review of medicine, Volume: 36	1985
Procainamide hydroxylamine lymphocyte toxicity--I. Evidence for participation by hemoglobin. International journal of immunopharmacology, Volume: 11, Issue: 4	1989
Procainamide toxicity in a patient with acute renal failure. American journal of kidney diseases : the official journal of the National Kidney Foundation, Volume: 7, Issue: 6	1986
Using population-based serum drug concentration cutoff values to predict toxicity: test performance and limitations compared with Bayesian interpretation. Clinical pharmacy, Volume: 9, Issue: 10	1990
A new series of antiarrhythmic procainamide derivatives: toxicity and activity-simulated passive absorption relation. Farmaco (Societa chimica italiana : 1989), Volume: 45, Issue: 12	1990
Azulene analogs of pharmacological agents III: acute toxicity and local anesthetic activity of azulylamides and azulenecarboxamides. Journal of pharmaceutical sciences, Volume: 64, Issue: 1	1975
Hemodialysis for severe procainamide toxicity: clinical and pharmacokinetic observations. Clinical pharmacology and therapeutics, Volume: 20, Issue: 5	1976
Effect of oxygen toxicity and nitric acid-induced lung damage on drug absorption from the rat lung. Research communications in chemical pathology and pharmacology, Volume: 15, Issue: 1	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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Low-dose procainamide: low risk of complications with long-term use. Journal of the National Medical Association, Volume: 75, Issue: 7	1983
Pulmonary thromboembolism associated with procainamide induced lupus syndrome and anticardiolipin antibodies. Annals of the rheumatic diseases, Volume: 48, Issue: 3	1989
Myocardial contractility in patients with ischemic heart disease during long-term administration of quinidine and procainamide. Direct measurement of segmental shortening with radiopaque epicardial markers. Chest, Volume: 76, Issue: 5	1979
The assessment of an antiarrhythmic agent, sustained-release procainamide, with the aid of Holter monitoring. The Medical journal of Australia, Nov-26, Volume: 2, Issue: 22	1977
Arrhythmia prophylaxis: Long-term suppressive medication. Circulation, Volume: 52, Issue: 6 Suppl	1975
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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T-Peak to T-End Interval for Prediction of Positive Response to Ajmaline Challenge Test in Suspected Brugada Syndrome Patients. Medical sciences (Basel, Switzerland), 12-19, Volume: 10, Issue: 4	2022
Procainamide pharmacokinetics during extracorporeal membrane oxygenation. Perfusion, Volume: 38, Issue: 2	2023
Pharmacokinetic evaluation of a sustained-release compounded procainamide preparation after 24-h (acute) administration in normal dogs. Journal of veterinary cardiology : the official journal of the European Society of Veterinary Cardiology, Volume: 24	2019
Determination of atenolol in human plasma by HPLC with fluorescence detection: validation and application in a pharmacokinetic study. Journal of chromatographic science, Volume: 51, Issue: 2	2013
Simultaneous quantitation of nicorandil and its denitrated metabolite in plasma by LC-MS/MS: application for a pharmacokinetic study. Journal of mass spectrometry : JMS, Volume: 46, Issue: 11	2011
Physicochemical determinants of human renal clearance. Journal of medicinal chemistry, Aug-13, Volume: 52, Issue: 15	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
Levofloxacin and ciprofloxacin decrease procainamide and N-acetylprocainamide renal clearances. Antimicrobial agents and chemotherapy, Volume: 49, Issue: 4	2005
Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics. Journal of medicinal chemistry, Feb-26, Volume: 47, Issue: 5	2004
Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data. Journal of medicinal chemistry, Jun-20, Volume: 45, Issue: 13	2002
Pharmacokinetic variability and therapeutic drug monitoring actions at steady state. Pharmaceutical research, Volume: 17, Issue: 5	2000
Pharmacokinetics and central nervous system toxicity of declopramide (3-chloroprocainamide) in rats and mice. Anti-cancer drugs, Volume: 10, Issue: 1	1999
The influence of moderate and chronic exercise training on the pharmacokinetics of procainamide and N-acetylprocainamide. Biopharmaceutics & drug disposition, Volume: 19, Issue: 5	1998
Effect of age, gender, and race on steady state procainamide pharmacokinetics after administration of procanbid sustained-release tablets. Therapeutic drug monitoring, Volume: 20, Issue: 1	1998
Effects of ofloxacin on the pharmacokinetics and pharmacodynamics of procainamide. Journal of clinical pharmacology, Volume: 36, Issue: 1	1996
Pharmacokinetics of sematilide in renal failure. Journal of clinical pharmacology, Volume: 36, Issue: 2	1996
Pharmacokinetic and pharmacodynamic comparisons of twice daily and four times daily formulations of procainamide in patients with frequent ventricular premature depolarization. Journal of clinical pharmacology, Volume: 36, Issue: 7	1996
Inhibition of N-acetylation of procainamide and renal clearance of N-acetylprocainamide by para-aminobenzoic acid in humans. Journal of clinical pharmacology, Volume: 35, Issue: 9	1995
Application of computer-assisted radiotelemetry in the pharmacokinetic and pharmacodynamic modeling of procainamide and N-acetylprocainamide. Journal of pharmaceutical sciences, Volume: 85, Issue: 6	1996
Myocardial uptake and pharmacodynamics of procainamide in patients with coronary heart disease and sustained ventricular tachyarrhythmias. The Journal of pharmacology and experimental therapeutics, Volume: 266, Issue: 2	1993
Influence of dietary fat on the pharmacodynamics of quinidine, procainamide and tocainide in isolated perfused rabbit hearts. The Journal of pharmacology and experimental therapeutics, Volume: 271, Issue: 1	1994
Comparison of single and multiple dose pharmacokinetics using clinical bioequivalence data and Monte Carlo simulations. Pharmaceutical research, Volume: 11, Issue: 9	1994
The pharmacokinetics and pharmacodynamics of procainamide in horses after intravenous administration. Journal of veterinary pharmacology and therapeutics, Volume: 17, Issue: 4	1994
Factors influencing procainamide total body clearance in the immediate postmyocardial infarction period. Journal of clinical pharmacology, Volume: 21, Issue: 1	1981
Pharmacokinetics of procainamide in rats with extrahepatic biliary obstruction. Journal of pharmaceutical sciences, Volume: 71, Issue: 11	1982
[Pharmacokinetics of anti-arrhythmics. 2. Clinical applications]. Archives des maladies du coeur et des vaisseaux, Volume: 73, Issue: 10	1980
Cimetidine inhibits renal procainamide clearance. Clinical pharmacology and therapeutics, Volume: 36, Issue: 2	1984
Significance of acetylator phenotype in pharmacokinetics and adverse effects of procainamide. European journal of clinical pharmacology, Volume: 25, Issue: 6	1983
Cimetidine-procainamide pharmacokinetic interaction in man: evidence of competition for tubular secretion of basic drugs. European journal of clinical pharmacology, Volume: 25, Issue: 3	1983
Age-related pharmacokinetics of N-acetylprocainamide in rats. Journal of pharmaceutical sciences, Volume: 72, Issue: 7	1983
Pharmacokinetic study on saturated hepato-biliary transport of acetyl procainamide ethobromide. Journal of pharmacobio-dynamics, Volume: 4, Issue: 8	1981
Pharmacokinetics of procainamide and N-acetylprocainamide in rats. Journal of pharmaceutical sciences, Volume: 70, Issue: 3	1981
Pharmacokinetic studies of procainamide (PA) and N-acetylprocainamide (NAPA) in healthy subjects. International journal of clinical pharmacology, therapy, and toxicology, Volume: 18, Issue: 6	1980
Aging and renal clearance of procainamide and acetylprocainamide. Clinical pharmacology and therapeutics, Volume: 28, Issue: 6	1980
Antiarrhythmic efficacy, pharmacokinetics and safety of N-acetylprocainamide in human subjects: comparison with procainamide. The American journal of cardiology, Volume: 46, Issue: 3	1980
Effect of coronary artery ligation on the pharmacokinetics of N-acetylprocainamide in dogs. Research communications in chemical pathology and pharmacology, Volume: 29, Issue: 2	1980
Dose and concentration dependent effect of ranitidine on procainamide disposition and renal clearance in man. British journal of clinical pharmacology, Volume: 18, Issue: 2	1984
Procainamide pharmacokinetics in patients with acute myocardial infarction or congestive heart failure. Journal of the American College of Cardiology, Volume: 7, Issue: 5	1986
Pharmacology and pharmacokinetics of drugs used to treat cardiac disease in horses. The Veterinary clinics of North America. Equine practice, Volume: 1, Issue: 2	1985
Pharmacokinetic and electrophysiologic interactions of amiodarone and procainamide. Clinical pharmacology and therapeutics, Volume: 41, Issue: 6	1987
The influence of ethanol on pharmacokinetic parameters of procainamide in rabbits. Die Pharmazie, Volume: 43, Issue: 4	1988
Pharmacodynamics of procainamide in patients with ventricular tachyarrhythmias. Journal of clinical pharmacology, Volume: 28, Issue: 11	1988
Effects of congestive heart failure on the pharmacokinetics and pharmacodynamics of antiarrhythmic agents. The American journal of cardiology, Jan-31, Volume: 57, Issue: 3	1986
Chronopharmacokinetic studies of pranoprofen and procainamide. Journal of clinical pharmacology, Volume: 29, Issue: 9	1989
Pharmacokinetic and pharmacodynamic interaction of N-acetyl procainamide and procainamide in humans. Journal of cardiovascular pharmacology, Volume: 14, Issue: 3	1989
Pharmacokinetics of N-acetylprocainamide in patients profiled with a stable isotope method. Clinical pharmacology and therapeutics, Volume: 46, Issue: 2	1989
Influence of age, renal function and heart failure on procainamide clearance and n-acetylprocainamide serum concentrations. International journal of clinical pharmacology, therapy, and toxicology, Volume: 27, Issue: 5	1989
Trimethoprim inhibition of the renal clearance of procainamide and N-acetylprocainamide. Archives of internal medicine, Volume: 149, Issue: 6	1989
Ranitidine-induced changes in the renal and hepatic clearances of procainamide are correlated. The Journal of pharmacology and experimental therapeutics, Volume: 248, Issue: 3	1989
Pharmacokinetics of procainamide in continuous ambulatory peritoneal dialysis. International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 2	1988
Comparison of the pharmacokinetic and pharmacodynamic properties of procainamide and N-acetylprocainamide. Angiology, Volume: 39, Issue: 7 Pt 2	1988
Pharmacokinetics of N-acetylprocainamide. Angiology, Volume: 37, Issue: 12 Pt 2	1986
Pharmacokinetics of procainamide hydrochloride in dogs. American journal of veterinary research, Volume: 47, Issue: 11	1986
Procainamide pharmacokinetics in patients on continuous ambulatory peritoneal dialysis. Nephron, Volume: 44, Issue: 3	1986
Cardiovascular actions and pharmacokinetics of desethyl-N-acetylprocainamide in the dog. The Journal of pharmacology and experimental therapeutics, Volume: 238, Issue: 3	1986
Effects of chronic ethanol ingestion on pharmacokinetics of procainamide in rats. Journal of pharmaceutical sciences, Volume: 80, Issue: 3	1991
Effect of probenecid on the pharmacokinetics and pharmacodynamics of procainamide. Journal of clinical pharmacology, Volume: 31, Issue: 5	1991
The role of metabolites in bioequivalency assessment. I. Linear pharmacokinetics without first-pass effect. Pharmaceutical research, Volume: 8, Issue: 1	1991
Therapeutic monitoring and pharmacokinetic evaluation of procainamide in neonates. DICP : the annals of pharmacotherapy, Volume: 25, Issue: 1	1991
[Simultaneous predictions of disposition kinetics of procainamide and its metabolite N-acetylprocainamide in rat by a physiological pharmacokinetic model]. Yao xue xue bao = Acta pharmaceutica Sinica, Volume: 26, Issue: 10	1991
[Combined pharmacokinetic-pharmacodynamic model of procainamide in rabbits with induced ventricular fibrillation threshold (VFT) changes]. Yao xue xue bao = Acta pharmaceutica Sinica, Volume: 26, Issue: 7	1991
Acecainide pharmacokinetics in normal subjects of known acetylator phenotype. Biopharmaceutics & drug disposition, Volume: 12, Issue: 8	1991
[Combined pharmacokinetic and pharmacodynamic model analysis for procainamide and its metabolite]. Zhongguo yao li xue bao = Acta pharmacologica Sinica, Volume: 12, Issue: 1	1991
The pharmacokinetics of procainamide in normal subjects using a specific gas chromatographic assay. Research communications in chemical pathology and pharmacology, Volume: 11, Issue: 2	1975
Pharmacokinetics of procainamide intravenously and orally as conventional and slow-release tablets. Clinical pharmacology and therapeutics, Volume: 17, Issue: 4	1975
Artificial kidneys and clearance calculations. Clinical pharmacology and therapeutics, Volume: 20, Issue: 6	1976
Hemodialysis for severe procainamide toxicity: clinical and pharmacokinetic observations. Clinical pharmacology and therapeutics, Volume: 20, Issue: 5	1976
Relationship between the pharmacokinetics and pharmacodynamics of procainamide. Clinical pharmacology and therapeutics, Volume: 20, Issue: 3	1976
The pharmacokinetics of slow-release procainamide. European journal of clinical pharmacology, Dec-01, Volume: 14, Issue: 4	1978
Pharmacokinetic approach to intravenous procainamide therapy. European journal of clinical pharmacology, Jun-19, Volume: 13, Issue: 4	1978
A pharmacokinetic comparison of two sustained-release oral procainamide preparations. British journal of clinical pharmacology, Volume: 8, Issue: 3	1979
Clinical pharmacokinetics of procainamide infusions in relation to acetylator phenotype. Journal of pharmacokinetics and biopharmaceutics, Volume: 7, Issue: 1	1979
Pharmacokinetics of antiarrhythmic drugs. The American journal of cardiology, May-22, Volume: 41, Issue: 6	1978
N-Acetylprocainamide pharmacokinetics in functionally anephric patients before and after perturbation by hemodialysis. Clinical pharmacology and therapeutics, Volume: 26, Issue: 5	1979
Procainamide pharmacokinetics in beagles: urinary pH dependency and comparison with n-acetylprocainamide. Research communications in chemical pathology and pharmacology, Volume: 17, Issue: 2	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Variability of bioavailability and intestinal absorption characteristics of bisoprolol. Drug metabolism and pharmacokinetics, Volume: 28, Issue: 6	2013
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. Journal of medicinal chemistry, Feb-11, Volume: 53, Issue: 3	2010
Hologram QSAR model for the prediction of human oral bioavailability. Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue: 24	2007
Drug-herb interaction: effect of St John's wort on bioavailability and metabolism of procainamide in mice. Archives of pathology & laboratory medicine, Volume: 131, Issue: 7	2007
QSAR model for drug human oral bioavailability. Journal of medicinal chemistry, Jun-29, Volume: 43, Issue: 13	2000
Pharmacokinetics and central nervous system toxicity of declopramide (3-chloroprocainamide) in rats and mice. Anti-cancer drugs, Volume: 10, Issue: 1	1999
Pharmacokinetics of sematilide in renal failure. Journal of clinical pharmacology, Volume: 36, Issue: 2	1996
Kinetics and dynamics of sematilide. Therapeutic drug monitoring, Volume: 17, Issue: 5	1995
Effect of cortisone on permeability of the neonatal rat lung to drugs. Biology of the neonate, Volume: 40, Issue: 1-2	1981
[Pharmacokinetics of anti-arrhythmics. 2. Clinical applications]. Archives des maladies du coeur et des vaisseaux, Volume: 73, Issue: 10	1980
Interaction of antacids with antiarrhythmics. V. Effect of aluminium hydroxide and magnesium oxide on the bioavailability of quinidine, procainamide and propranolol in dogs. Arzneimittel-Forschung, Volume: 33, Issue: 1	1983
Cimetidine inhibits renal procainamide clearance. Clinical pharmacology and therapeutics, Volume: 36, Issue: 2	1984
Thin-layer chromatographic determination of procainamide and N-acetylprocainamide in human serum and urine at single-dose levels. Journal of chromatography, Oct-14, Volume: 277	1983
Age-related pharmacokinetics of N-acetylprocainamide in rats. Journal of pharmaceutical sciences, Volume: 72, Issue: 7	1983
N-Acetylprocainamide kinetics and clinical response during repeated dosing. Clinical pharmacology and therapeutics, Volume: 32, Issue: 3	1982
Bioavailability of N-acetylprocainamide from mixed diet in rats. Research communications in chemical pathology and pharmacology, Volume: 32, Issue: 2	1981
Procainamide: clinical pharmacology and efficacy against ventricular arrhythmias. Annals of the New York Academy of Sciences, Volume: 432	1984
Comparable steady-state bioavailability between two preparations of conventional-release procainamide hydrochloride. Drug intelligence & clinical pharmacy, Volume: 21, Issue: 2	1987
Comparative bioavailability of two oral sustained-release procainamide products. Clinical pharmacy, Volume: 7, Issue: 2	1988
Chronopharmacokinetic studies of pranoprofen and procainamide. Journal of clinical pharmacology, Volume: 29, Issue: 9	1989
Pharmacokinetics of N-acetylprocainamide in patients profiled with a stable isotope method. Clinical pharmacology and therapeutics, Volume: 46, Issue: 2	1989
Interaction of steady-state procainamide with H2-receptor antagonists cimetidine and ranitidine. Therapeutic drug monitoring, Volume: 9, Issue: 4	1987
Pharmacokinetics of procainamide hydrochloride in dogs. American journal of veterinary research, Volume: 47, Issue: 11	1986
A new series of antiarrhythmic procainamide derivatives: toxicity and activity-simulated passive absorption relation. Farmaco (Societa chimica italiana : 1989), Volume: 45, Issue: 12	1990
The role of metabolites in bioequivalency assessment. I. Linear pharmacokinetics without first-pass effect. Pharmaceutical research, Volume: 8, Issue: 1	1991
Effect of paraquat-induced lung damage on permeability of rat lung to drugs. Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.), Volume: 151, Issue: 2	1976
Absolute bioavailability in man of N-acetylprocainamide determined by a novel stable isotope method. Clinical pharmacology and therapeutics, Volume: 18, Issue: 5 Pt 1	1975
Effect of papain-induced emphysema on permeability of rat lung to drugs. Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.), Volume: 149, Issue: 4	1975
Effect of oxygen toxicity and nitric acid-induced lung damage on drug absorption from the rat lung. Research communications in chemical pathology and pharmacology, Volume: 15, Issue: 1	1976
The effect of food on procainamide absorption. Southern medical journal, Volume: 69, Issue: 7	1976
Absorption kinetics of procainamide in humans. Journal of pharmaceutical sciences, Volume: 66, Issue: 7	1977
Effect of thyroxine on permeability of the neonatal rat lung to drugs. Biology of the neonate, Volume: 34, Issue: 5-6	1978
The effect of isoniazid and other drugs on the acetylation of procainamide in the intact rat. The Journal of pharmacology and experimental therapeutics, Volume: 207, Issue: 3	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Procainamide pharmacokinetics during extracorporeal membrane oxygenation. Perfusion, Volume: 38, Issue: 2	2023
[Efficacy of procainamide in the treatment of refractory ventricular fibrillation: report of 4 cases and a review of the literature]. Revista espanola de anestesiologia y reanimacion, Volume: 56, Issue: 8	2009
Therapeutic levels of intravenous procainamide in neonates: a retrospective assessment. Pharmacotherapy, Volume: 26, Issue: 12	2006
Histone acetylase inhibitor trichostatin A induces acetylcholinesterase expression and protects against organophosphate exposure. Journal of cellular biochemistry, Nov-01, Volume: 96, Issue: 4	2005
A comparison of tests for antifibrillatory action. British journal of pharmacology and chemotherapy, Volume: 17	1961
Comparison of the in vivo electrophysiological and proarrhythmic effects of amiodarone with those of a selective class III drug, sematilide, using a canine chronic atrioventricular block model. Circulation journal : official journal of the Japanese Circulation Society, Volume: 66, Issue: 8	2002
Pharmacokinetic variability and therapeutic drug monitoring actions at steady state. Pharmaceutical research, Volume: 17, Issue: 5	2000
Electropharmacologic effect of a standard dose of intravenous procainamide in patients with sustained ventricular tachycardia. Clinical cardiology, Volume: 23, Issue: 3	2000
[Study on the combined therapy of DNA-methyltransferase inhibitor and interferon-alpha/beta for mouse spontaneously arose renal cell carcinoma, and immunological mechanism induced by the therapy]. Nihon Hinyokika Gakkai zasshi. The japanese journal of urology, Volume: 89, Issue: 10	1998
Effect of age, gender, and race on steady state procainamide pharmacokinetics after administration of procanbid sustained-release tablets. Therapeutic drug monitoring, Volume: 20, Issue: 1	1998
Activity of Procanbid, procainamide twice-daily formulation, to suppress ventricular premature depolarizations. The Study Group Investigators. Cardiovascular drugs and therapy, Volume: 11, Issue: 2	1997
Disposition of procainamide in patients with chronic congestive heart failure receiving medical therapy. Journal of clinical pharmacology, Volume: 36, Issue: 1	1996
Efficacy and safety of procainamide in preventing arrhythmias after coronary artery bypass surgery. The American journal of cardiology, Nov-01, Volume: 78, Issue: 9	1996
Stability of ketoconazole, metolazone, metronidazole, procainamide hydrochloride, and spironolactone in extemporaneously compounded oral liquids. American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, Sep-01, Volume: 53, Issue: 17	1996
Effects of verapamil, propranolol, and procainamide on adenosine-induced negative dromotropism in human beings. American heart journal, Volume: 132, Issue: 4	1996
Application of computer-assisted radiotelemetry in the pharmacokinetic and pharmacodynamic modeling of procainamide and N-acetylprocainamide. Journal of pharmaceutical sciences, Volume: 85, Issue: 6	1996
Prophylactic procainamide for prevention of atrial fibrillation after coronary artery bypass grafting: a prospective, double-blind, randomized, placebo-controlled pilot study. Critical care medicine, Volume: 21, Issue: 10	1993
The effects of programmed ventricular stimulation on plasma procainamide levels: an experimental model. Journal of clinical pharmacology, Volume: 34, Issue: 2	1994
Effects of incremental doses of procainamide in patients with sustained uniform ventricular tachycardia. Journal of cardiovascular electrophysiology, Volume: 5, Issue: 4	1994
The effects of beta-adrenergic stimulation on the frequency-dependent electrophysiologic actions of amiodarone and sematilide in humans. Circulation, Volume: 90, Issue: 4	1994
Comparison of single and multiple dose pharmacokinetics using clinical bioequivalence data and Monte Carlo simulations. Pharmaceutical research, Volume: 11, Issue: 9	1994
Serial electrophysiologic testing of multiple drugs in patients with atrioventricular nodal reentrant paroxysmal tachycardia. Circulation, Volume: 62, Issue: 6	1980
[Pharmacological therapy and prevention of recurrent ventricular tachycardia]. Giornale italiano di cardiologia, Volume: 11, Issue: 11	1981
Arterial-venous plasma concentration differences of six drugs in the dog and rabbit after intravenous administration. Research communications in chemical pathology and pharmacology, Volume: 32, Issue: 1	1981
Procainamide elimination kinetics in pediatric patients. Clinical pharmacology and therapeutics, Volume: 32, Issue: 5	1982
Electrophysiologic drug testing in prophylaxis of sporadic paroxysmal atrial fibrillation: technique, application, and efficacy in severely symptomatic preexcitation patients. American heart journal, Volume: 103, Issue: 6	1982
Pharmacokinetics of a sustained release procainamide preparation. Angiology, Volume: 33, Issue: 2	1982
Serum drug concentrations in clinical perspective. Therapeutic drug monitoring, Volume: 3, Issue: 1	1981
Drug-induced systemic lupus erythematosus. Progress in clinical immunology, Volume: 4	1980
Drug-induced antinuclear antibodies in the guinea pig. Life sciences, Jan-11, Volume: 30, Issue: 2	1982
High-dose procainamide in chronic renal failure. Drug intelligence & clinical pharmacy, Volume: 17, Issue: 4	1983
Some consequences of drug choice and dosage regimen for patients with impaired kidney function. Drug intelligence & clinical pharmacy, Volume: 17, Issue: 4	1983
Antiarrhythmic activity of the O-demethyl metabolite of encainide. The Journal of pharmacology and experimental therapeutics, Volume: 221, Issue: 3	1982
[Determination of plasma concentrations of anti-arrhythmia agents]. Archives des maladies du coeur et des vaisseaux, Volume: 74 Spec No	1981
[Pharmacokinetics of anti-arrhythmics. 2. Clinical applications]. Archives des maladies du coeur et des vaisseaux, Volume: 73, Issue: 10	1980
Effects on ventricular function of disopyramide, procainamide and quinidine as determined by radionuclide angiography. The American journal of cardiology, May-01, Volume: 53, Issue: 9	1984
Effect of amiodarone on serum quinidine and procainamide levels. The American journal of cardiology, May-01, Volume: 53, Issue: 9	1984
Long-term antiarrhythmic therapy. Problem of low drug levels and patient noncompliance. The American journal of medicine, Volume: 77, Issue: 6	1984
Ventricular arrhythmias: current concepts. Comprehensive therapy, Volume: 10, Issue: 9	1984
Use of procainamide in chronic ambulatory peritoneal dialysis: report of a case. American journal of kidney diseases : the official journal of the National Kidney Foundation, Volume: 4, Issue: 1	1984
Cimetidine-procainamide pharmacokinetic interaction in man: evidence of competition for tubular secretion of basic drugs. European journal of clinical pharmacology, Volume: 25, Issue: 3	1983
Serum drug concentrations in patients with ischemic heart disease after administration of a sustained release procainamide preparation. Angiology, Volume: 34, Issue: 1	1983
N-Acetylprocainamide kinetics and clinical response during repeated dosing. Clinical pharmacology and therapeutics, Volume: 32, Issue: 3	1982
Hemodynamic effects of N-acetylprocainamide in heart disease. Clinical pharmacology and therapeutics, Volume: 31, Issue: 4	1982
Long-term antiarrhythmic therapy with acetylprocainamide. The American journal of cardiology, Volume: 48, Issue: 6	1981
[Steady-state plasma and saliva concentrations of procainamide and N-acetyl-procainamide after a sustained release preparation]. Schweizerische medizinische Wochenschrift, Sep-27, Volume: 110, Issue: 39	1980
Acetylprocainamide therapy in patients with previous procainamide-induced lupus syndrome. Annals of internal medicine, Volume: 95, Issue: 1	1981
Clinical pharmacology and antiarrhythmic efficacy of N-acetylprocainamide. The American journal of cardiology, Volume: 47, Issue: 1	1981
The effect of procainamide on delayed activation potentials in a patient with ventricular tachycardia. Pacing and clinical electrophysiology : PACE, Volume: 3, Issue: 6	1980
Aging and renal clearance of procainamide and acetylprocainamide. Clinical pharmacology and therapeutics, Volume: 28, Issue: 6	1980
Efficacy, plasma concentrations and adverse effects of a new sustained release procainamide preparation. The American journal of cardiology, Volume: 46, Issue: 5	1980
Antiarrhythmic efficacy, pharmacokinetics and safety of N-acetylprocainamide in human subjects: comparison with procainamide. The American journal of cardiology, Volume: 46, Issue: 3	1980
New directions in antiarrhythmic drug therapy. The American journal of cardiology, Aug-13, Volume: 54, Issue: 4	1984
Antiarrhythmic drug therapy during pregnancy. Annals of internal medicine, Volume: 98, Issue: 4	1983
Dose and concentration dependent effect of ranitidine on procainamide disposition and renal clearance in man. British journal of clinical pharmacology, Volume: 18, Issue: 2	1984
Prolongation of procaine's and procainamide's actions by binding to acryloyl polymers. European journal of pharmacology, Aug-27, Volume: 114, Issue: 3	1985
Sustained-release procainamide: use of serum concentrations to determine dosage. Southern medical journal, Volume: 78, Issue: 10	1985
Flecainide: long-term treatment using a reduced dosing schedule. The American journal of cardiology, Jan-01, Volume: 55, Issue: 1	1985
Procainamide pharmacokinetics in patients with acute myocardial infarction or congestive heart failure. Journal of the American College of Cardiology, Volume: 7, Issue: 5	1986
Conventional and sustained-release procainamide: update on pharmacology and clinical use. Clinical therapeutics, Volume: 7, Issue: 5	1985
Comparative efficacy of oral sotalol and procainamide in patients with chronic ventricular arrhythmias: a multicenter study. American heart journal, Volume: 109, Issue: 5 Pt 1	1985
Pharmacology and pharmacokinetics of drugs used to treat cardiac disease in horses. The Veterinary clinics of North America. Equine practice, Volume: 1, Issue: 2	1985
Biochemical investigation of the basis for the genetic N-acetylation polymorphism in the inbred hamster. The Journal of pharmacology and experimental therapeutics, Volume: 234, Issue: 2	1985
Effects of four antiarrhythmic drugs on the induction and termination of paroxysmal supraventricular tachycardia. Japanese circulation journal, Volume: 50, Issue: 10	1986
Adverse reactions to antiarrhythmic drugs during therapy for ventricular arrhythmias. JAMA, Jul-04, Volume: 256, Issue: 1	1986
Procainamide, disopyramide and quinidine: discordant antiarrhythmic effects during crossover comparison in patients with inducible ventricular tachycardia. Journal of the American College of Cardiology, Volume: 9, Issue: 4	1987
Comparative bioavailability of two oral sustained-release procainamide products. Clinical pharmacy, Volume: 7, Issue: 2	1988
Pharmacodynamics of intravenous procainamide as used during acute electropharmacologic testing. The American journal of cardiology, Jan-01, Volume: 61, Issue: 1	1988
Clinical use of sustained-release procainamide in treatment of cardiac arrhythmias. Angiology, Volume: 39, Issue: 7 Pt 2	1988
Antiarrhythmic drug therapy. Recent advances and current status. Cardiology, Volume: 72, Issue: 5-6	1985
Chronopharmacokinetic studies of pranoprofen and procainamide. Journal of clinical pharmacology, Volume: 29, Issue: 9	1989
Trimethoprim inhibition of the renal clearance of procainamide and N-acetylprocainamide. Archives of internal medicine, Volume: 149, Issue: 6	1989
More-sensitive enzyme-multiplied immunoassay technique for procainamide and N-acetylprocainamide in plasma, serum, and urine. Clinical chemistry, Volume: 34, Issue: 5	1988
Beta blockers in combination with class I antiarrhythmic agents. The American journal of cardiology, Aug-31, Volume: 60, Issue: 6	1987
Pharmacokinetics of N-acetylprocainamide. Angiology, Volume: 37, Issue: 12 Pt 2	1986
Pharmacokinetics of procainamide hydrochloride in dogs. American journal of veterinary research, Volume: 47, Issue: 11	1986
Procainamide pharmacokinetics in patients on continuous ambulatory peritoneal dialysis. Nephron, Volume: 44, Issue: 3	1986
Value of a revised procainamide test in the Wolff-Parkinson-White syndrome. The American journal of cardiology, Jan-15, Volume: 65, Issue: 3	1990
Paired comparisons of efficacy of intravenous and oral procainamide in patients with inducible sustained ventricular tachyarrhythmias. Journal of the American College of Cardiology, Volume: 17, Issue: 7	1991
Use of 7,7,8,8-tetracyanoquinodimethane for spectrophotometric determination of certain local anaesthetics and procainamide hydrochloride. Journal of pharmaceutical and biomedical analysis, Volume: 9, Issue: 7	1991
Procainamide absorption studies to test the feasibility of using a sustained-release preparation. British journal of clinical pharmacology, Volume: 2, Issue: 6	1975
Intracardiac conduction defects following overdose of tricyclic antidepressant drugs. European journal of cardiology, Volume: 2, Issue: 4	1975
[Treatment of patients with different forms of myotonia with diphenin and novocainamide]. Zhurnal nevropatologii i psikhiatrii imeni S.S. Korsakova (Moscow, Russia : 1952), Volume: 76, Issue: 9	1976
Electrophysiologic properties and response to pharmacologic agents of fibers from diseased human atria. Circulation, Volume: 54, Issue: 5	1976
Influence of procainamide on sodium and potassium exchange and permeabilities in cultured human cells. Cardiovascular research, Volume: 10, Issue: 5	1976
Collaborative study of the spectrophotometric determination of procainamide hydrochloride. Journal - Association of Official Analytical Chemists, Volume: 59, Issue: 4	1976
Procaineamide blood levels after administration of a sustained-release preparation. The Medical journal of Australia, Mar-12, Volume: 1, Issue: 11	1977
Measurement of procainamide and N-acetylprocainamide in serum by high-performance liquid chromatography. Clinical chemistry, Volume: 23, Issue: 4	1977
[Ventricular tachycardia of the infant. 2 new cases]. Archives des maladies du coeur et des vaisseaux, Volume: 69, Issue: 3	1976
[Hemodynamic effects of disopyramide and procainamide in open-chest animals]. Giornale italiano di cardiologia, Volume: 8, Issue: 12	1978
Pharmacokinetic approach to intravenous procainamide therapy. European journal of clinical pharmacology, Jun-19, Volume: 13, Issue: 4	1978
Agranulocytosis associated with procainamide therapy--report of a case. American journal of hospital pharmacy, Volume: 34, Issue: 12	1977
The effect of procaine on the passive electrical properties of guinea-pig ventricular muscle. Pflugers Archiv : European journal of physiology, Dec-15, Volume: 378, Issue: 1	1978
Series on pharmacology in practice. 2. Antiarrhythmic drug therapy. Mayo Clinic proceedings, Volume: 54, Issue: 8	1979
The elderly patient in the coronary care unit. II. Incidence and treatment of arrhythmias. Journal of the American Geriatrics Society, Volume: 27, Issue: 5	1979
A double-blind trial of disopyramide, procaineamide and digoxin in paroxysmal suptraventricular tachycardia. Clinical cardiology, Volume: 2, Issue: 3	1979
Pharmacokinetics of antiarrhythmic drugs. The American journal of cardiology, May-22, Volume: 41, Issue: 6	1978
Massive digoxin ingestion. Report of a case and review of currently available therapies. British heart journal, Volume: 39, Issue: 6	1977
Rapid fluorometric determination of procainamide hydrochloride dosage forms. Journal of pharmaceutical sciences, Volume: 64, Issue: 7	1975
[Effect of prajmalium bitartrate and procaine amide on ventricular extrasystoles (author's transl)]. Deutsche medizinische Wochenschrift (1946), Feb-13, Volume: 101, Issue: 7	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

procainamide

Description

Cross-References

Synonyms (168)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (1)

Pathways (1)

Protein Targets (36)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (204)

Molecular Functions (94)

Ceullar Components (61)

Bioassays (291)

Research

Studies (3,302)

Study Types

Clinical Trials (12)

Trial Overview

Trial Outcomes

ST Segment Elevation ≥ 1.5 mm in the Right Precordial Leads (V1-V3), Either at Baseline or Manifested After Sodium Channel Block With Intravenous Procainamide

Research Highlights

Safety/Toxicity (33)

Long-term Use (7)

Pharmacokinetics (86)

Bioavailability (40)

Dosage (116)

Interactions (10)

Article	Year
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. Journal of medicinal chemistry, May-24, Volume: 55, Issue: 10	2012
Effect of cationic drugs on the transporting activity of human and rat OCT/Oct 1-3 in vitro and implications for drug-drug interactions. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 38, Issue: 9	2008
Drug-drug interactions between antiarrhythmic drugs in chick embryos. Biological & pharmaceutical bulletin, Volume: 27, Issue: 1	2004
Electrophysiologic mechanisms of antiarrhythmic efficacy of a sotalol and class Ia drug combination: elimination of reverse use dependence. Journal of the American College of Cardiology, Volume: 29, Issue: 1	1997
Sotalol and type IA drugs in combination prevent recurrence of sustained ventricular tachycardia. Journal of the American College of Cardiology, Volume: 22, Issue: 1	1993
Antiarrhythmic drug combinations in the treatment of ventricular tachycardia. Circulation, Volume: 66, Issue: 6	1982
Enhanced antiarrhythmic efficacy of propafenone when used in combination with procainamide or quinidine. American heart journal, Volume: 114, Issue: 3	1987
Long-term efficacy of mexiletine alone and in combination with class Ia antiarrhythmic drugs for refractory ventricular arrhythmias. American heart journal, Volume: 115, Issue: 2	1988
Beta blockers in combination with class I antiarrhythmic agents. The American journal of cardiology, Aug-31, Volume: 60, Issue: 6	1987
Studies on digitalis. V. The influence of impaired renal function, hemodialysis, and drug interaction on serum protein binding of digitoxin and digoxin. Clinical pharmacology and therapeutics, Volume: 20, Issue: 1	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

procainamide

Description

Cross-References

Synonyms (168)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (1)

Pathways (1)

Protein Targets (36)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (204)

Molecular Functions (94)

Ceullar Components (61)

Bioassays (291)

Research

Studies (3,302)

Study Types

Clinical Trials (12)

Trial Overview

Trial Outcomes

ST Segment Elevation ≥ 1.5 mm in the Right Precordial Leads (V1-V3), Either at Baseline or Manifested After Sodium Channel Block With Intravenous Procainamide

Related Drugs (3,864)

Related Conditions (2,764)

Research Highlights

Safety/Toxicity (33)

Long-term Use (7)

Pharmacokinetics (86)

Bioavailability (40)

Dosage (116)

Interactions (10)