flecainide profile

Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

flecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart). [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)

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

ID Source	ID
PubMed CID	3356
CHEMBL ID	652
CHEBI ID	75984
SCHEMBL ID	14970
MeSH ID	M0008556

Synonym
AC-16019
AB00384356-13
BRD-A09472452-015-03-6
BRD-A09472452-001-02-8
gtpl2560
apocard
n-(piperidin-2-ylmethyl)-2,5-bis[(2,2,2-trifluoroethyl)oxy]benzamide
ccris 313
benzamide, n-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-
(+-)-flecainide
flecainide [inn:ban]
flecainida [inn-spanish]
flecainidum [inn-latin]
c17h20f6n2o3
BIO1_000864
BIO1_001353
BIO2_000517
BIO2_000037
BIO1_000375
BCBCMAP01_000189
BSPBIO_000690
LOPAC0_000546
BSPBIO_001317
PRESTWICK2_000735
BPBIO1_000760
IDI1_033787
SMP1_000074
AB00513907
C07001
flecainide
54143-55-4
n-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
(+/-)-flecainide
DB01195
flecaine
tambocor
nsc-719273
nsc719273
NCGC00025175-05
NCGC00025175-04
KBIO2_005173
KBIO2_000037
KBIOGR_000037
KBIO2_002605
KBIO3_000074
KBIO3_000073
KBIOSS_000037
SPBIO_002629
PRESTWICK1_000735
PRESTWICK0_000735
PRESTWICK3_000735
NCGC00025175-03
NCGC00025175-06
HMS2089E17
HMS1989B19
n-piperidin-2-ylmethyl-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide(flecanide)
n-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
n-piperidin-2-ylmethyl-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide
n-piperidin-2-ylmethyl-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide(flecainide)
bdbm50131434
n-piperidin-2-ylmethyl-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide (flecainide)
CHEMBL652 ,
thn-102 component flecainide
chebi:75984 ,
D07962
flecainide (inn)
HMS1791B19
FT-0668552
FT-0668553
FT-0668551
NCGC00015443-06
tox21_110151
dtxsid8023054 ,
dtxcid403054
cas-54143-55-4
CCG-204636
AKOS015962192
NCGC00015443-13
NCGC00015443-05
NCGC00015443-10
NCGC00015443-07
NCGC00015443-11
NCGC00015443-12
NCGC00015443-04
NCGC00015443-15
NCGC00015443-14
NCGC00015443-08
flecainidum
unii-k94fts1806
k94fts1806 ,
nsc 719273
flecainida
FT-0630666
flecainide [mi]
flecainide [vandf]
thn102 component flecainide
flecainide [who-dd]
n-(2-piperidylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
flecainide [inn]
2,5-bis(2,2,2-trifluoroethoxy)-n-(2-piperidylmethyl)-benzamide
2,5-bis(2,2,2-trifluoroethoxy)-n-(2-piperidylmethyl)benzamide
SCHEMBL14970
tox21_110151_1
NCGC00015443-17
n-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide #
AC-31101
AS-71745
F18100
n-[(piperidin-2-yl)methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
BCP24373
Q421381
mfcd00864713
BRD-A09472452-015-11-9
SB19141
A870533
nsc782306
nsc-782306
EN300-144572
CS-W011666
SY269348
HY-W010950
flecainidum (inn-latin)
flecainida (inn-spanish)
c01bc04

Excerpt	Reference
"Flecainide is a useful antiarrhythmic for atrial fibrillation (AF). "	( Anderson, JL; Bunch, TJ; Cutler, MJ; Knight, S; Knowlton, KU; Le, VT; Mason, S; May, HT; McCubrey, RO; Min, DB; Muhlestein, JB, 2021)
"Flecainide is an oral class IC antiarrhythmic drug whose most common extracardiac adverse reactions are "dizziness" and "visual disturbances." We describe a case of flecainide associated- bilateral vestibulopathy and a literature review of this drug's effect on the vestibular system."	( Garaycochea, O; Manrique-Huarte, R; Pérez-Fernández, N; Riesgo, Á, 2022)
"Flecainide is a 1C antidysrhythmic that is primarily used for ventricular tachycardia or premature ventricular contractions when other treatment is ineffective. "	( Georgakakos, PK; McCabe, DJ; Radke, JB; Walsh, RD; Wilson, BZ, 2022)
"Flecainide is a class 1C antiarrhythmic and is highly effective for treating a wide range of arrhythmias. "	( Bellsham-Revell, H; Bhatt, H; Regan, W; Rosenthal, E, 2023)
"Flecainide is a class 1c anti-arrhythmic drug that has demonstrated therapeutic efficacy in treating CPVT."	( Davidson, R; Medeiros, M, 2023)
"Flecainide is an alternative adjunctive anti-arrhythmic agent known to provide incomplete protection to CPVT patients."	( Li, J; Wang, G; Wang, Y; Zhao, N; Zhong, S, 2019)
"Flecainide is an effective and safe anti-arrhythmic agent, and its use as a monotherapy might be a good alternative for CPVT patients with β-blocker intolerance. "	( Li, J; Wang, G; Wang, Y; Zhao, N; Zhong, S, 2019)
"Flecainide is a class Ic antidysrhythmic agent used to prevent and treat both ventricular and supraventricular tachycardias, including atrial fibrillation, atrioventricular nodal re-entrant tachycardia, and Wolff-Parkinson-White syndrome. "	( Newson, JM; Santos, CD; Todd, BR; Walters, BL, 2020)
"Flecainide acetate is a Vaughan-Williams class IC antiarrhythmic drug prescribed for the treatment of supraventricular arrhythmias. "	( Abdul Haium, AA; Choo, TLJ; Lee, JH; Poh, BH, 2020)
"Flecainide is a first-line antiarrhythmic drug used to treat atrial arrhythmias and/or supraventricular tachycardia in those without coronary artery disease or structural heart disease. "	( Acker, L; Bova Campbell, K; Bronshteyn, YS; Naglee, C; Taicher, B, 2021)
"Flecainide is a class 1C antiarrhythmic, which is known to cause several cardiac and non-cardiac adverse reactions. "	( Kumar, D; Mersfelder, T; Patel, P; Rehman, ME, 2021)
"Flecainide is a class 1C antiarrhythmic primarily usedfor the management of supraventricular arrhythmias. "	( Alston, M; Chang, D; Mitra, R, 2021)
"Flecainide is a class IC antiarrhythmic drug that is contraindicated in patients who have a history of myocardial infarction, but its effect on mortality and risk of proarrhythmia in patients with stable obstructive and nonobstructive epicardial coronary artery disease (CAD) has not been assessed."	( Agasthi, P; Ashraf, H; Ko, NK; Ladia, V; Mulpuru, SK; O'Herlihy, F; Prendiville, T; Pujari, SH; Scott, L; Sorajja, D, 2021)
"Flecainide is a commonly used IC antiarrhythmic. "	( Hakmeh, W; Hoang, K; Pazderka, P, 2022)
"Flecainide is a safe and effective antiarrhythmic medication, even for children with underlying CHD."	( Cunningham, T; Franciosi, S; Jeremiasen, I; Morris, R; Sanatani, S; Sherwin, E; Uzun, O; Wong, A, 2017)
"Flecainide intoxication is a severe intoxication that can lead to cardiogenic shock. "	( Heldens, M; Melman, PG; van der Nat, GAM, 2019)
"Flecainide is a class 1C antiarrhythmic drug especially used for the management of supraventricular arrhythmia. "	( Bonnefoy, E; Courand, PY; Kirkorian, G; Mullier, A; Ranc, S; Sibellas, F, 2013)
"Flecainide is a lipophilic anti-arrhythmic with a significant cardiotoxic profile, with blockade of sodium and potassium channels causing arrhythmias and shock in severe toxicity."	( Cave, G; Harvey, M; Heys, D; Quinn, P, 2013)
"Flecainide is a sodium channel blocker with minimal effects expected on ventricular repolarization."	( Costa, SM; Mixon, TA; Oguayo, KN; Oyetayo, OO, 2014)
"Flecainide is an antiarrhythmic agent that has the potential to be considered an NTID."	( Le Heuzey, JY; Mabo, P; Tamargo, J, 2015)
"Flecainide is a Class Ic antiarrythmic agent associated with adverse events due to its pro-arrythmic effects. "	( Bernard, KR; Brumfield, E; Kabrhel, C, 2015)
"Flecainide is a class Ic antidysrhythmic agent used to prevent and treat tachydysrhythmias. "	( Judge, BS; Reynolds, JC, 2015)
"Flecainide acetate is an antiarrhythmic agent commonly used in clinical practice, in particular, for the treatment of supraventricular tachycardias. "	( Benoit, A; Hoffer, E; Paolucci, M; Stefan, L; Vanderperren, O, 2015)
"Flecainide is a use-dependent blocker of cardiac Na(+) channels. "	( Alvarez-Laviada, A; Bagley, MC; Bannister, ML; Coleman, S; du Plessis, CL; George, CH; MacLeod, KT; Mason, SA; Moran, AT; Neill-Hall, D; Osman, H; Thomas, NL; Williams, AJ, 2016)
"Flecainide is an effective therapy for supraventricular tachycardias in a twin pregnancy. "	( Gronemeyer, D; Hatzmann, W; Reinhard, J; Schiermeier, S; van Leeuwen, P, 2008)
"Flecainide acetate is a class Ic antiarrythmic agent that is metabolized by the cytochrome P450 (CYP) 2D6 isozyme. "	( Cho, JY; Eum, S; Jang, IJ; Jeon, JY; Kim, BH; Kim, J; Lim, KS; Shin, SG; Tae, YM; Yi, S; Yu, KS, 2010)
"Flecainide is an antiarrhythmic drug that blocks sodium channels during phase 0 of cardiac action potential, delaying conduction and reducing contractility. "	( Bobillo, B; Diz Gómez, JC; Doniz Campos, M; Filgueira, P; Illodo Miramontes, G; Otero Amoedo, T; Rey López, F, 2010)
"Flecainide acetate is a classic Ic antiarrhythmic agent used to treat a variety of cardiac arrhythmias. "	( Burakgazi, AZ; Höke, A; Polydefkis, M, 2012)
"Flecainide is a class Ic antiarrhythmic agent that has an important role as part of rhythm control strategies in patients with atrial fibrillation (AF). "	( Capucci, A; Mabo, P; Tamargo, J, 2012)
"Flecainide is a class IC antiarrhythmic agent, used frequently in all age groups for the treatment of tachyarrhythmias. "	( Barton, C; Hawcutt, DB; Mangat, J; Thompson, B, 2012)
"Flecainide is a Vaughan Williams Class Ic antidysrhythmic associated with PR, QRS, and QTc prolongation on the electrocardiogram and development of life-threatening cardiac toxicity in overdose. "	( Cole, JB; Dolan, JA; Ellsworth, H; Harris, CR; Stellpflug, SJ, 2013)
"Flecainide is a class IC antidysrhythmic primarily indicated for ventricular dysrhythmias and supraventricular tachycardia (SVT). "	( Hoffman, RS; Jang, DH; Nelson, LS, 2013)
"Flecainide is a class Ic antiarrhythmic agent available in Europe since 1982. "	( Apostolakis, S; Breithardt, G; Fabritz, L; Kirchhof, P; Oeff, M; Tebbe, U, 2013)
"Flecainide is a Class I antiarrhythmic drug and a potent inhibitor of the cardiac (Nav1.5) sodium channel. "	( O'leary, ME; Ramos, E, 2004)
"Flecainide testing is a valid and safe tool to identify SCN5A-related BrS patients. "	( Bezzina, CR; Hofman, N; Meregalli, PG; Ruijter, JM; Tan, HL; Wilde, AA, 2006)
"Flecainide is an antiarrhythmic considered safe in patients who have no structural cardiopathy, and frequently used in the prevention of atrial fibrillation. "	( Doncel Vecino, LJ; López-Mínguez, JR; Merchán Herrera, A; Moreno Sánchez, N; Nogales Asensio, JM; Villar Mariscal, C, 2007)
"Flecainide acetate is a sodium channel blocker and a class Ic antiarrhythmic agent with potential life-threatening proarrhythmic and cardioinhibitory properties when taken in overdose. "	( Dens, J; Van Reet, B, 2006)
"Flecainide is a sodium channel blocker used mainly in the treatment of supraventricular arrhythmias. "	( Lee, D; Maclean, D; Sheerin, NS; Ting, SM, 2008)
"Flecainide is a new antiarrhythmic drug that may soon be released for general use."	( Anderson, JL; Crevey, BJ; Stewart, JR, 1984)
"Flecainide acetate is an effective antiarrhythmic with a narrow range of effective dosages."	( Duff, HJ; Roden, DM; Siddoway, LA; Woosley, RL, 1984)
"Flecainide acetate is an effective agent for the acute termination of both orthodromic AV and intra-AV nodal reentrant tachycardias."	( Bexton, RS; Camm, AJ; Hellestrand, KJ; Nathan, AW; Spurrell, RA, 1983)
"Flecainide acetate is a new class I antiarrhythmic agent which slows atrial, A-V nodal and ventricular conduction velocity, and prolongs refractoriness of these structures (Borchard et al., 1982; Hodess et al., 1979). "	( Hohnloser, S; Hust, MH; Just, H; Wollschläger, H; Zeiher, A, 1983)
"Flecainide thus appears to be a highly effective and well-tolerated antiarrhythmic agent with favorable pharmacokinetics."	( Anderson, JL; Chang, SF; Conard, GJ; Johnson, TA; Kvam, DC; Perry, BA; Pitt, B; Stewart, JR; Van Hamersveld, DD, 1981)
"Flecainide is a Class IC antiarrhythmic agent whose primary electrophysiologic effect is a slowing of conduction in a wide range of cardiac tissues. "	( Falk, RH; Fogel, RI, 1994)
"Flecainide acetate is a powerful antiarrhythmic initially used to treat ventricular arrhythmias. "	( Bordier, P; Clémenty, J; Garrigue, S, 1996)
"Flecainide acetate is a potent class Ic anti-arrhythmic drug with major sodium channel blocking actions. "	( Bourke, JP; Gascoigne, AD; Hanley, NA, 1998)
"Flecainide acetate is a potent class 1C antiarrhythmic agent used mainly for the treatment of supraventricular arrhythmias. "	( Bodiwala, GG; Bouch, DC; Brazil, E, 1998)
"Flecainide is a rare cause of hypersensitivity pneumonitis, and few cases have been reported."	( Fuhrman, C; Perchet, H; Robain, A, 2000)
"Flecainide seems to be a safe drug with minimal ocular adverse effects."	( Ikäheimo, K; Kettunen, R; Mäntyjärvi, M, 2001)
"Flecainide is a potent blocker of the open sodium channel."	( Atkins, DL; Geletka, RC; Moss, AJ; Windle, JR; Zareba, W, 2001)
"Flecainide is a useful drug for the acute and chronic control of tachycardia in Wolff-Parkinson-White syndrome."	( Crozier, I, 1992)
"Flecainide acetate is a new potent class I antiarrhythmic agent. "	( Chung, PK; Tuso, P, 1990)
"Flecainide acetate is a recently introduced, class 1 antiarrhythmic agent that is highly effective in the treatment of ventricular and atrioventricular/nodal reentrant tachycardias. "	( Clarke, LM; James, MA; Papouchado, M; Walker, PR, 1985)
"Flecainide acetate is a recently approved class 1c antiarrhythmic agent indicated for patients with serious ventricular arrhythmias. "	( Jones, DL; Klein, GJ; McQuinn, RL; Szabo, TS, 1988)
"Flecainide (F) is a new antiarrhythmic agent recently introduced into clinical practice. "	( Carelli, M; Di Marcotullio, G; Giampaolo, P; Malinconico, U; Milazzotto, F; Polizzi, CA; Tubaro, M, 1989)
"Flecainide is a new drug that is effective for the treatment of ventricular arrhythmias. "	( Lam, S; Malikin, G; Murphy, M, 1989)
"Flecainide acetate is an effective antiarrhythmic agent for the acute termination of recent onset paroxysmal atrial and ventricular tachyarrhythmias."	( Bexton, RS; Camm, AJ; Hellestrand, KJ; Nathan, AW, 1987)
"Flecainide is an effective antiarrhythmic drug, but when administered orally in patients with left ventricular (LV) dysfunction, its effect on LV function is unknown."	( Amor, M; Auque, F; Bertrand, A; Brembilla-Perrot, B; Cherrier, F; Isaaz, K; Pernot, C; Terrier de la Chaise, A, 1987)
"Thus flecainide is an highly effective and well tolerated drug for the control of PSVT in infancy."	( Cavallaro, C; D'Onofrio, A; Della Gatta, O; Marsico, F; Musto, A; Musto, B, 1987)
"Flecainide is a benzenacetamide synthesised about a decade ago and only recently introduced into the treatment of arrhythmias. "	( Croce, L; Lomuscio, A; Pozzoni, L; Romano, S, 1988)
"Flecainide is a class I antiarrhythmic agent which depresses depolarization and conduction velocities in myocardial and Purkinje's fibres, thereby extending their refractory period. "	( Haïat, R; Halphen, C; Leroy, G; Stoltz, JP; Weingrod, M, 1988)
"Flecainide acetate is a new class 1 c antiarrhythmic drug. "	( Baur, HR; Mueller, RA, 1986)
"Flecainide is a Class I antiarrhythmic drug of the local anaesthetic type. "	( Heel, RC; Holmes, B, 1985)
"Flecainide acetate is a new orally active antidysrhythmic agent classified in the Ic category. "	( Smith, GH, 1985)
"Flecainide appears to be an effective agent for the conversion to sinus rhythm of atrial fibrillation and supraventricular tachycardias."	( Duc, J; Finci, L; Goy, JJ; Grbic, M; Hurni, M; Maendly, R; Sigwart, U, 1985)

Excerpt	Reference
"Flecainide has a higher diagnostic yield than does procainamide in patients with BBB, syncope, and negative baseline EPS due to a greater increase of the His-ventricular interval. "	( Ferreira-Gonzalez, I; Francisco-Pasqual, J; García-Dorado, D; Martin-Sanchez, G; Moya-Mitjans, A; Oristrell, G; Perez-Rodon, J; Rivas-Gandara, N; Roca-Luque, I; Rodríguez-García, J; Santos-Ortega, A, 2019)
"flecainide has a high efficacy for the treatment of experimentally-induced acute atrial fibrillation (AF) in horses and that its use is associated with minimal toxic side effects."	( Blissitt, KJ; Keen, JA; van Loon, G; Young, LE, 2004)
"Flecainide acetate has a relatively long blood elimination half-life and a narrow safety margin."	( Chiba, K; Kaku, T; Nagashima, J; Ueda, K, 1997)
"Flecainide has a lesser effect on refractoriness of the His-Purkinje system, atrium, ventricle, and atrioventricular node."	( Crozier, I, 1992)
"Flecainide acetate has a recognized proarrhythmic effect in patients treated for ventricular tachycardia. "	( Falk, RH, 1989)
"Flecainide has been tested with variable efficacy."	( Buhl, R; Carstensen, H; Fenner, M; Flethøj, M; Hesselkilde, EZ; Jespersen, T; Kanters, JK; Loft-Andersen, AV; Pehrson, S; Sattler, SM; Tfelt-Hansen, J, 2018)
"Flecainide has a higher diagnostic yield than does procainamide in patients with BBB, syncope, and negative baseline EPS due to a greater increase of the His-ventricular interval. "	( Ferreira-Gonzalez, I; Francisco-Pasqual, J; García-Dorado, D; Martin-Sanchez, G; Moya-Mitjans, A; Oristrell, G; Perez-Rodon, J; Rivas-Gandara, N; Roca-Luque, I; Rodríguez-García, J; Santos-Ortega, A, 2019)
"Flecainide has improved CPVT outcomes and will likely have broader clinical indications in the near future."	( Roston, TM; Sanatani, S; Van Petegem, F, 2017)
"Flecainide has been shown to prevent arrhythmias in a murine model of CPVT and in patients."	( Cai, X; Cannell, MB; Holden, AV; Li, P; Soeller, C; Wei, W, 2010)
"flecainide has a high efficacy for the treatment of experimentally-induced acute atrial fibrillation (AF) in horses and that its use is associated with minimal toxic side effects."	( Blissitt, KJ; Keen, JA; van Loon, G; Young, LE, 2004)
"The flecainide infusion test has been proposed to screen candidates for hybrid pharmacological and ablation therapy. "	( Astarita, C; De Matteis, C; De Simone, A; Di Napoli, T; El Jamal, B; Greco, L; La Rocca, V; Messina, V; Nocerino, P; Rotunno, R; Stabile, G; Turco, P; Vitale, DF, 2005)
"Flecainide has been used to differentiate Kv4.2-based transient-outward K(+)-currents (flecainide-sensitive) from Kv1.4-based (flecainide-insensitive). "	( Herrera, D; Mamarbachi, A; Nattel, S; Parent, L; Sauvé, R; Simoes, M; Wang, Z, 2005)
"Flecainide has been shown to reduce salt absorption in animal bowel."	( Khavandi, A; Walker, PR, 2007)
"Flecainide has unusual electrophysiologic properties and a high potency for the suppression of ventricular tachyarrhythmias. "	( Ikeda, N; Josephson, MA; Singh, BN, 1984)
"Flecainide acetate has been shown to be a potent antiarrhythmic agent which is active for more than 8 h, whether given intravenously or orally. "	( Hugenholtz, PG; Lubsen, J; Serruys, PW; Van Den Brand, M; Vanhaleweyk, G; Verdouw, P, 1983)
"Flecainide has been reported to decrease defibrillation efficacy in pentobarbital-anesthetized dogs. "	( Jones, DL; Kim, YH; Klein, GJ; Kleinstiver, PW; Natale, A; Wood, GK, 1993)
"Flecainide has been shown to be effective in short-term, controlled studies for prevention of paroxysmal supraventricular tachycardia (SVT) and paroxysmal atrial fibrillation (AF). "	( Anderson, JL; Fox, TL; Guarnieri, T; Maser, MJ; Platt, ML; Pritchett, EL, 1994)
"Flecainide acetate has been shown to have use-dependent properties. "	( Goldberger, J; Helmy, I; Katzung, B; Scheinman, M, 1994)
"Flecainide acetate has a relatively long blood elimination half-life and a narrow safety margin."	( Chiba, K; Kaku, T; Nagashima, J; Ueda, K, 1997)
"Flecainide has a lesser effect on refractoriness of the His-Purkinje system, atrium, ventricle, and atrioventricular node."	( Crozier, I, 1992)
"Flecainide acetate has a recognized proarrhythmic effect in patients treated for ventricular tachycardia. "	( Falk, RH, 1989)
"Flecainide has been reported to be effective in suppressing chronic ventricular arrhythmias in clinical studies, but the electrophysiological mechanisms of its action are not understood. "	( Hosokawa, M; Miyazaki, T; Nakamura, Y; Ogawa, S; Sakai, T; Sakurai, K, 1989)
"Flecainide has proved useful in the treatment of supraventricular arrhythmias, atrial fibrillation (especially in patients with Wolff-Parkinson-White disease), in reciprocating supraventricular tachycardias and in focal atrial tachycardias."	( Croce, L; Lomuscio, A; Pozzoni, L; Romano, S, 1988)
"Flecainide has been shown to be a relatively safe and effective antiarrhythmic agent. "	( Grubb, BP; Tilley-Gray, B, 1986)
"Flecainide has been shown to be superior to quinidine and disopyramide in suppressing ventricular ectopic activity and may be considered a first-line oral agent for this indication."	( Smith, GH, 1985)

Excerpt	Reference
"Flecainide did not increase the risk of all side effects (RR = 0.76, CI = [0.42, 1.40], P = .38) compared to that with β-blockers alone."	( Li, J; Wang, G; Wang, Y; Zhao, N; Zhong, S, 2019)
"Flecainide can cause serious side effects, including cardiac arrest, dysrhythmias, and heart failure."	( Newson, JM; Santos, CD; Todd, BR; Walters, BL, 2020)
"Flecainide use can cause the absence of accelerations and poor variability in the FHR."	( de Jong, CL; de Vries, JI; van Geijn, HP; van Gelder-Hasker, MR, 1995)
"Flecainide caused an increase in diastolic thresholds from 0.3 +/- 0.2 to 0.8 +/- 0.5 mA (p < 0.006) and procainamide from 0.5 +/- 0.3 to 0.9 +/- 0.5 mA (p < 0.02)."	( Bel, KJ; Crijns, HJ; de Langen, CD; Ebels, T; Grandjean, JG; Lie, KI; Wesseling, H, 1993)
"Flecainide does not cause conduction block in crucial regions of reentrant circuits (central common pathway) and therefore does not prevent reentrant tachycardia in healing infarcts."	( Coromilas, J; Dillon, SM; Saltman, AE; Waldecker, B; Wit, AL, 1995)
"Flecainide may increase the incidence of cardiac arrhythmias in acute ischemia. "	( Ferrier, GR; Heisler, BE, 1996)
"Flecainide is a rare cause of hypersensitivity pneumonitis, and few cases have been reported."	( Fuhrman, C; Perchet, H; Robain, A, 2000)

Excerpt	Reference
"Flecainide treatment was less effective than quinidine treatment, but the frequency of complications did not differ between quinidine and flecainide."	( Ishikawa, Y; Ohmura, H; Takahashi, Y, 2018)
"Flecainide treatment revealed coved ST elevation in all mutation carriers."	( Bloch Thomsen, PE; Christiansen, M; Grunnet, M; Hedley, PL; Jespersen, T; Jons, C; Kanters, JK; Stoevring, B; Yuan, L, 2014)
"Flecainide-treated patients maintained stabilized peripheral axonal excitability over the study compared to placebo."	( Cheah, BC; Kiernan, MC; Kirby, A; Lin, CS; Mann, KP; Park, SB; Vucic, S; Winhammar, J; Zoing, MC, 2015)
"The flecainide treatment significantly reduced the frequency of PVCs during and after exercise. "	( Abriel, H; Amarouch, MY; Kontula, K; Lahtinen, AM; Leinonen, J; Marjamaa, A; Swan, H; Toivonen, L; Widen, E, 2016)
"Flecainide for the treatment of supraventricular tachycardia (SVT) in newborns is still controversial because of its potentially severe proarrhythmic effects."	( Bonanomi, C; Centola, M; Colli, AM; Danzi, GB; Ferlini, M; Galli, MA; Ravaglia, R; Salice, P; Salvini, L, 2009)
"flecainide as a treatment for atrial fibrillation in horses with naturally-occurring AF."	( Blissitt, KJ; Keen, JA; van Loon, G; Young, LE, 2004)
"Flecainide acetate treatment, with a median dose of 480 mg daily, appears to be highly effective for suppressing complex ventricular arrhythmias."	( Balakumaran, K; Hugenholtz, PG; Lubsen, J; Roelandt, J; Vanhaleweyk, G, 1984)
"Flecainide treatment (3 mg/kg) that abolished veratridine (30 microg/kg)-induced SAR excitation had no significant effect on the inhibitory responses of SAR activity to CO2."	( Matsumoto, S; Saiki, C; Takahashi, T; Takeda, M; Tanimoto, T, 2000)
"Flecainide treatment (6 mg/kg) that was sufficient to block veratridine (50 microg/kg)-induced SAR stimulation did not significantly alter the excitatory response of SAR activity to hyperinflation."	( Ikeda, M; Matsumoto, S; Nishikawa, T, 2000)
"In flecainide-treated animals, administration of 4-AP (0.7 and 2 mg kg(-1)) stimulated SAR activity during normal inflation and also caused a partial blockade of hyperinflation-induced SAR inhibition."	( Ikeda, M; Matsumoto, S; Nishikawa, T; Saiki, C; Takeda, M; Tanimoto, T; Yoshida, S, 2001)
"Oral flecainide treatment was given to five patients who were refractory to conventional antiarrhythmic agents. "	( Hiraoka, M; Hiyoshi, Y; Motomiya, T; Sakurada, H; Sugiura, M; Tejima, T; Tokuyasu, Y; Watanabe, K; Yanase, O, 1990)
"1) Flecainide treatment prolonged HV and VA intervals, and the addition of isoproterenol did not affect these variables. "	( Griffin, JC; Helmy, I; Herre, JM; Scheinman, MM; Sharkey, H, 1990)
"Flecainide treatment was started intravenously with a bolus of 2 mg/kg over 10 minutes, followed by oral treatment (200 to 300 mg/day) according to body weight."	( Goy, JJ; Kappenberger, L; Kaufmann, U; Sigwart, U, 1988)
"Treatment with flecainide and propranolol achieved successful control of the incessant arrhythmia with improvement in cardiac function on echocardiogram."	( Jee, G; Ofoe, V; Uzun, O; Wong, A, 2023)
"Treatment with flecainide CR significantly improves QoL in both paroxysmal as well as persistent AF patients, with an excellent safety profile and associated patient compliance."	( Asvestas, D; Gavriilidou, M; Giannakoulas, G; Kapetanios, K; Karlis, D; Koufaki, P; Kourouklis, S; Kouskos, G; Papadimitriou, G; Patsourakos, F; Taxiarchou, E; Tsiachris, D; Tzeis, S; Vatkalis, N, 2020)
"Treatment with flecainide alone resulted in a 38% mean reduction (p less than 0.05) of ventricular premature complexes, a 75% (p less than 0.01) mean reduction of couplets, and elimination of ventricular tachycardia."	( Scheininger, M; Stern, H; Theisen, F; Theisen, K, 1985)

Role	Description
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.
[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
monocarboxylic acid amide	A carboxamide derived from a monocarboxylic acid.
piperidines
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Flecainide Action Pathway	47	8

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
TDP1 protein	Homo sapiens (human)	Potency	14.3301	0.0008	11.3822	44.6684	AID686978; AID686979
AR protein	Homo sapiens (human)	Potency	12.9122	0.0002	21.2231	8,912.5098	AID743042; AID743063
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	24.5454	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	33.3202	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259256
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	13.4500	0.0002	29.3054	16,493.5996	AID743075; AID743078
cytochrome P450 2D6	Homo sapiens (human)	Potency	6.1655	0.0010	8.3798	61.1304	AID1645840
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	8.9125	0.0178	9.6374	44.6684	AID588834
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	25.1385	0.0003	23.4451	159.6830	AID743065; AID743067
lamin isoform A-delta10	Homo sapiens (human)	Potency	1.2589	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)
Voltage-dependent L-type calcium channel subunit alpha-1F	Homo sapiens (human)	IC50 (µMol)	27.1000	0.0003	2.6311	9.0000	AID1207742
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	217.6000	0.1100	7.1903	10.0000	AID1449628
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0000	2.8005	10.0000	AID1210069
Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)	IC50 (µMol)	51.0000	0.0300	3.7300	9.0000	AID288783
Cytochrome P450 2J2	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0120	2.5312	9.4700	AID1210069
Voltage-dependent L-type calcium channel subunit alpha-1D	Homo sapiens (human)	IC50 (µMol)	27.1000	0.0003	2.5955	9.0000	AID1207742
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50 (µMol)	3.8905	0.0009	1.9014	10.0000	AID161281; AID243151; AID408340; AID576612
Voltage-dependent L-type calcium channel subunit alpha-1S	Homo sapiens (human)	IC50 (µMol)	27.1000	0.0003	2.6311	9.0000	AID1207742
Voltage-dependent L-type calcium channel subunit alpha-1C	Homo sapiens (human)	IC50 (µMol)	27.1000	0.0003	2.2545	9.6000	AID1207742
Sodium channel protein type 5 subunit alpha	Homo sapiens (human)	IC50 (µMol)	6.5000	0.0003	3.6484	9.2000	AID288782
Potassium voltage-gated channel subfamily D member 2	Rattus norvegicus (Norway rat)	IC50 (µMol)	10.1000	2.2000	2.2000	2.2000	AID288784
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
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)
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)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
potassium ion transport	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
response to hypoxia	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
Notch signaling pathway	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
response to mechanical stimulus	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
response to organic substance	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of vasoconstriction	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of membrane potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
response to hydrogen peroxide	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of potassium ion transport	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of insulin secretion	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
protein homooligomerization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
negative regulation of cytosolic calcium ion concentration	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
potassium ion homeostasis	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
response to hyperoxia	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane hyperpolarization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of atrial cardiac muscle cell membrane repolarization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
potassium ion transmembrane transport	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
atrial cardiac muscle cell action potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane repolarization during bundle of His cell action potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane repolarization during SA node cell action potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane repolarization during atrial cardiac muscle cell action potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
positive regulation of myoblast proliferation	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
action potential	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
fatty acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
icosanoid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
regulation of heart contraction	Cytochrome P450 2J2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
organic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
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)
startle response	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
regulation of muscle contraction	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuroblast proliferation	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
protein localization	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cell communication by electrical coupling	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
magnesium ion homeostasis	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuronal action potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
optic nerve development	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
hippocampus development	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cerebral cortex development	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
corpus callosum development	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuronal signal transduction	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
regulation of membrane potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuromuscular process	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of pain	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of touch	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
protein homooligomerization	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
axon development	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cellular response to magnesium ion	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
potassium ion transmembrane transport	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
membrane repolarization during action potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
regulation of presynaptic membrane potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
action potential	Potassium voltage-gated channel subfamily A member 1	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)
regulation of heart rate	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cardiac conduction system development	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cardiac ventricle development	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
brainstem development	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
sodium ion transport	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
positive regulation of sodium ion transport	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
response to denervation involved in regulation of muscle adaptation	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
telencephalon development	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cerebellum development	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
sodium ion transmembrane transport	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
odontogenesis of dentin-containing tooth	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
positive regulation of action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
positive regulation of epithelial cell proliferation	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cardiac muscle contraction	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarization	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of atrial cardiac muscle cell membrane depolarization	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of atrial cardiac muscle cell membrane repolarization	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane depolarization	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cellular response to calcium ion	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cardiac muscle cell action potential involved in contraction	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of cardiac muscle cell contraction	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
ventricular cardiac muscle cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during cardiac muscle cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
atrial cardiac muscle cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
SA node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
AV node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
bundle of His cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during AV node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during SA node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during Purkinje myocyte cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during bundle of His cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
AV node cell to bundle of His cell communication	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane depolarization during atrial cardiac muscle cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
regulation of sodium ion transmembrane transport	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
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)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C9	Homo sapiens (human)
signaling receptor binding	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
delayed rectifier potassium channel activity	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
protein binding	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
outward rectifier potassium channel activity	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
protein kinase binding	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
alpha-actinin binding	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
voltage-gated potassium channel activity involved in bundle of His cell action potential repolarization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
voltage-gated potassium channel activity involved in atrial cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
voltage-gated potassium channel activity involved in SA node cell action potential repolarization	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
scaffold protein binding	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
iron ion binding	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
hydroperoxy icosatetraenoate isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 5,6-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
heme binding	Cytochrome P450 2J2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2J2	Homo sapiens (human)
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)
voltage-gated potassium channel activity	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
delayed rectifier potassium channel activity	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
protein binding	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
disordered domain specific binding	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
voltage-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Potassium voltage-gated channel subfamily A member 1	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)
voltage-gated sodium channel activity	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
protein binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
calmodulin binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
fibroblast growth factor binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
enzyme binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
protein kinase binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
protein domain specific binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
ankyrin binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
ubiquitin protein ligase binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
transmembrane transporter binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
nitric-oxide synthase binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel activity involved in cardiac muscle cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel activity involved in AV node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel activity involved in bundle of His cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel activity involved in Purkinje myocyte action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel activity involved in SA node cell action potential	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
scaffold protein binding	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
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)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
caveola	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
Golgi apparatus	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
cell surface	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
intercalated disc	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
Z disc	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane raft	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
intracellular canaliculus	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
perinuclear region of cytoplasm	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
voltage-gated potassium channel complex	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
potassium channel complex	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
intercalated disc	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
membrane	Potassium voltage-gated channel subfamily A member 5	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2J2	Homo sapiens (human)
extracellular exosome	Cytochrome P450 2J2	Homo sapiens (human)
cytoplasm	Cytochrome P450 2J2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2J2	Homo sapiens (human)
plasma membrane	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)
endoplasmic reticulum	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cytosol	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cell surface	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
apical plasma membrane	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cell junction	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
dendrite	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
cytoplasmic vesicle	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
paranode region of axon	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
presynaptic membrane	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuronal cell body	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
axon initial segment	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
perikaryon	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
axon terminus	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
juxtaparanode region of axon	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
calyx of Held	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
synapse	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
postsynaptic membrane	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
anchoring junction	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
glutamatergic synapse	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
voltage-gated potassium channel complex	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
dendrite	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
paranode region of axon	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
membrane	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
synapse	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
juxtaparanode region of axon	Potassium voltage-gated channel subfamily A member 1	Homo sapiens (human)
neuronal cell body	Potassium voltage-gated channel subfamily A member 1	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)
caveola	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
nucleoplasm	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
nucleolus	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
endoplasmic reticulum	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
plasma membrane	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
caveola	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
cell surface	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
intercalated disc	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
membrane	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
lateral plasma membrane	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
Z disc	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
T-tubule	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
sarcolemma	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
perinuclear region of cytoplasm	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
voltage-gated sodium channel complex	Sodium channel protein type 5 subunit alpha	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (203)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
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.
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.
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]
AID80315	Inhibition of acetylstrophantidin induced arrhythmia in guinea pig isolated right atria.	1989	Journal of medicinal chemistry, Aug, Volume: 32, Issue:8	Ester derivatives of 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol as short-acting antiarrhythmic agents. 1.
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]
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.
AID288784	Inhibition of rat potassium channel Kv4.2 by patch-clamp method	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
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.
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.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
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).
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
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.
AID1210069	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	2013	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 41, Issue:1	Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.
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.
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.
AID288776	Effect on ECG parameters in intravenously dosed Sprague-Dawley rat assessed as dose producing 25% prolongation of P-R interval	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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).
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.
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.
AID1449628	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
AID1734554	Toxicity in rabbit model of left circumflex artery ligation-induced ischemia assessed as increase in VT-VF at 1 mg/kg by electrocardiographic analysis	2016	Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19	Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late I
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.
AID22289	Percent change from control value for Vmax at 3 uM of the compound.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
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.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID288778	Effect on ECG parameters in intravenously dosed Sprague-Dawley rat assessed as dose producing 25% lengthening in QT2 interval	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
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.
AID162803	Duration of action potential in vitro against Canine Purkinje fibers; at 1 uM concentration	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III 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.
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.
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.
AID288782	Inhibition of human heart sodium channel Nav1.5 by patch-clamp method	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
AID425653	Renal clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
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.
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.
AID161281	Inhibition of human Potassium channel HERG expressed in mammalian cells	2003	Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16	Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.
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.
AID288779	Effect on electrical stimulation in intravenously dosed Sprague-Dawley rat assessed as dose producing 25% prolongation of in current threshold for induction of extrasystole	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
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.
AID161144	Percentage inhibition of specific binding of [3H]dofetilide (UK-68,798) from cardiac myocytes with blockade of delayed rectifier K+ channel	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
AID74038	Effective dose in vivo for cardiac refractoriness (ERP) using paced guinea pig model	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel 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.
AID28681	Partition coefficient (logD6.5)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID162807	Duration of action potential in vitro against Canine Purkinje fibers; at 3 uM concentration	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
AID29359	Ionization constant (pKa)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
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.
AID162805	Duration of action potential in vitro against Canine Purkinje fibers; at 10 uM concentration.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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]
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.
AID49078	Ventricular fribrillation threshold (VFT) after iv administration to anesthetized, acutely infarcted cats at 3 mg/kg	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
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.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
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.
AID288771	CNS toxicity in iv dosed Sprague-Dawley rat assessed as cumulative convulsion dose	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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).
AID78122	In vivo index of cardiac contractility using paced guinea pig model	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
AID288780	Effect on electrical stimulation in intravenously dosed Sprague-Dawley rat assessed as dose producing 25% increase in effective refractory period	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
AID22283	Percent change from control value for Vmax at 10 uM of the compound.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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.
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.
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).
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
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.
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).
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
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.
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.
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).
AID75368	Percent change in the mean time to first Ouabain-induced arrhythmia was determined in Guinea pig at a dose of 3 mg/kg	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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.
AID59395	Minimal effective dose that resulted in significant reduction in PVC frequency in conscious dogs by po administration after 24 hours of coronary artery ligation	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
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.
AID409956	Inhibition of mouse brain MAOB	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID59322	Antiarrhythmic efficacy in vivo against Harris model	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID288785	Inhibition of rat potassium channel Kv2.1 by patch-clamp method	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
AID288775	Effect on blood pressure in intravenously dosed Sprague-Dawley rat assessed as dose producing 25% change in arterial blood pressure	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
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.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
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).
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]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
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.
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.
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.
AID59323	Antiarrhythmic efficacy in vivo against PES model	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
AID77947	Minimal effective dose that resulted in significant delay in the onset of arrhythmias in guinea pig with iv administration of aconitine hydrochloride	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
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).
AID288772	Hemodynamic effect in intravenously dosed Sprague-Dawley rat with ischemia-induced arrhythmia assessed as dose producing 25% reduction in systemic blood pressure	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
AID205279	Percentage inhibition of specific binding of [3H]batrachotoxin [3H]BTX) in sodium channel from cardiac myocytes at 10 uM	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
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.
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.
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.
AID476929	Human intestinal absorption in po dosed human	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Neural computational prediction of oral drug absorption based on CODES 2D descriptors.
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.
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.
AID162809	Duration of action potential was determined in vitro in Canine Purkinje fibers at 0.1 uM concentration.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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).
AID1207742	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.
AID1734579	Toxicity in rabbit model of left circumflex artery ligation-induced ischemia assessed as animal death at 1 mg/kg	2016	Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19	Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late I
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).
AID29811	Oral bioavailability in human	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
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).
AID288781	Toxicity in intravenously dosed CD1 mouse	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
AID22280	Percent change from control value for Vmax at 0.1 uM of the compound.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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).
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]
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.
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).
AID408340	Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique	2008	Bioorganic & medicinal chemistry, Jun-01, Volume: 16, Issue:11	Support vector machines classification of hERG liabilities based on atom types.
AID57166	Inhibition of ouabain induced arrhythmia in the dog.	1989	Journal of medicinal chemistry, Aug, Volume: 32, Issue:8	Ester derivatives of 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol as short-acting antiarrhythmic agents. 1.
AID288783	Inhibition of human potassium channel Kv1.5 by patch-clamp method	2007	Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12	Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.
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.
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
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
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.
AID425652	Total body clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
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.
AID1441978	Inhibition of Kv1.1 (unknown origin)	2017	Journal of medicinal chemistry, 03-23, Volume: 60, Issue:6	A Rational Design of a Selective Inhibitor for Kv1.1 Channels Prevalent in Demyelinated Nerves That Improves Their Impaired Axonal Conduction.
AID1222793	Dissociation constant, pKa of the compound	2013	Drug metabolism and disposition: the biological fate of chemicals, May, Volume: 41, Issue:5	Which metabolites circulate?
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.
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.
AID48137	Effective refractory period (ERP) after iv administration to anesthetized, acutely infarcted cats at 3 mg/kg	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.
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).
AID28983	Distribution coefficient of compound was determined in octanol-water system	1989	Journal of medicinal chemistry, Aug, Volume: 32, Issue:8	Ester derivatives of 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol as short-acting antiarrhythmic agents. 1.
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.
AID22285	Percent change from control value for Vmax at 1 uM of the compound.	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.
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.
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.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
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.
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.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
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.
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.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
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.
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory 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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1346681	Mouse Kv3.1 (Voltage-gated potassium channels)	1994	Molecular pharmacology, Jun, Volume: 45, Issue:6	Pharmacological characterization of five cloned voltage-gated K+ channels, types Kv1.1, 1.2, 1.3, 1.5, and 3.1, stably expressed in mammalian cell lines.
AID1346690	Mouse Kv1.1 (Voltage-gated potassium channels)	1994	Molecular pharmacology, Jun, Volume: 45, Issue:6	Pharmacological characterization of five cloned voltage-gated K+ channels, types Kv1.1, 1.2, 1.3, 1.5, and 3.1, stably expressed in mammalian cell lines.
AID1346666	Human Kv1.7 (Voltage-gated potassium channels)	2002	European journal of human genetics : EJHG, Jan, Volume: 10, Issue:1	Characterisation of the human voltage-gated potassium channel gene, KCNA7, a candidate gene for inherited cardiac disorders, and its exclusion as cause of progressive familial heart block I (PFHBI).
AID1346684	Human Kv1.5 (Voltage-gated potassium channels)	1994	Molecular pharmacology, Jun, Volume: 45, Issue:6	Pharmacological characterization of five cloned voltage-gated K+ channels, types Kv1.1, 1.2, 1.3, 1.5, and 3.1, stably expressed in mammalian cell lines.
AID1346704	Rat Kv1.2 (Voltage-gated potassium channels)	1994	Molecular pharmacology, Jun, Volume: 45, Issue:6	Pharmacological characterization of five cloned voltage-gated K+ channels, types Kv1.1, 1.2, 1.3, 1.5, and 3.1, stably expressed in mammalian cell lines.
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.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	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.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	429 (24.18)	18.7374
1990's	492 (27.73)	18.2507
2000's	319 (17.98)	29.6817
2010's	397 (22.38)	24.3611
2020's	137 (7.72)	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	229 (12.17%)	5.53%
Reviews	169 (8.98%)	6.00%
Case Studies	421 (22.38%)	4.05%
Observational	5 (0.27%)	0.25%
Other	1,057 (56.19%)	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
Catheter Ablation Compared With Pharmacological Therapy for Atrial Fibrillation - a Randomized Multicentre Study Comparing Atrial Fibrillation Ablation Strategy With Optimized Conventional Pharmacological Strategy After 12 Months Follow-up.[NCT02294955]		152 participants (Actual)	Interventional	2008-05-31	Active, not recruiting
Single Dose Flecainide for Early Sinus Rhythm Conversion of Perioperative Atrial Fibrillation After Noncardiac Surgery (FLIP-AF): a Pilot Randomized Controlled Trial[NCT06142604]	Phase 4	20 participants (Anticipated)	Interventional	2024-01-01	Not yet recruiting
Diagnostic Value and Safety of Flecainide Infusion Test in Brugada Syndrome[NCT02302274]		209 participants (Actual)	Observational	2010-07-01	Completed
Acute Management of Paroxysmal Atrial Fibrillation With Beta Blockers Plus Intravenous Flecainide: a Real-world Chios Registry (BETAFLEC-CHIOS)[NCT04991896]		81 participants (Actual)	Observational [Patient Registry]	2020-01-01	Completed
A Prospective, Multi-Center, Randomized, Open Label Trial to Determine if a Common Atrial Fibrillation Risk Locus Modulates Differential Response to Antiarrhythmic Drugs[NCT02347111]	Phase 4	162 participants (Anticipated)	Interventional	2020-12-31	Recruiting
An Investigator-Initiated Prospective Randomized Open-Label Blinded-Endpoint Crossover Trial Comparing the Effect and Safety of Flecainide and Metoprolol Versus Metoprolol Alone to Suppress Ventricular Arrhythmias in Arrhythmic Mitral Valve Prolapse[NCT05631730]	Phase 3	50 participants (Anticipated)	Interventional	2023-01-04	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
Safety and Efficacy of Flecainide Versus Amiodarone in the Cardioversion of Paroxysmal Atrial Fibrillation at the Emergency Department, in Patients With Coronary Artery Disease Without Residual Ischemia and Ejection Fraction > 35%[NCT05549752]	Phase 3	200 participants (Anticipated)	Interventional	2023-03-24	Recruiting
Flecainide for the Treatment of Chronic Neuropathic Pain: A Phase II Trial[NCT00002996]	Phase 2	20 participants (Anticipated)	Interventional	1998-05-04	Completed
Assessment of Flecainide to Lower the Patent Foramen Ovale Closure Risk of Atrial Arrhythmia or Tachycardia[NCT05213104]	Phase 3	186 participants (Anticipated)	Interventional	2022-03-23	Recruiting
Ajmaline Utilization in the Diagnosis and Treatment of Cardiac Arrhythmias[NCT00702117]	Phase 4	123 participants (Actual)	Interventional	2008-06-30	Completed
Randomized Clinical Trial to Study Pharmacological Cardioversion of Paroxysmal Atrial Fibrillation by Vernakalant and Flecainide[NCT03005366]	Phase 4	50 participants (Actual)	Interventional	2017-01-31	Completed
Clinical Trial to Evaluate the Antiarrhythmic Effects of Acupuncture for Drug Resistant Persistent Atrial Fibrillation: Randomized, Participant and Assessor Blinded, Sham-controlled, Clinical Trial[NCT02110537]		80 participants (Anticipated)	Interventional	2014-03-31	Recruiting
Safety and Efficacy of THN102 on Sleepiness in Narcoleptic Patients[NCT02821715]	Phase 2	51 participants (Actual)	Interventional	2016-09-30	Completed
A Prospective Randomized Multicenter Global Study Comparing Pulsed Field Ablation (PFA) Versus Anti-Arrhythmic Drug (AAD) Therapy as a First Line Treatment for Persistent Atrial Fibrillation[NCT06096337]		387 participants (Anticipated)	Interventional	2023-12-15	Not yet recruiting
A Randomized, Controlled Clinical Trial of Catheter Cryoablation in the Treatment of Paroxysmal Atrial Fibrillation.[NCT00523978]	Phase 3	245 participants (Actual)	Interventional	2006-10-31	Completed
[NCT00000556]	Phase 3	0 participants	Interventional	1995-03-31	Completed
[NCT00000504]	Phase 2	0 participants	Interventional	1982-09-30	Completed
Kansai Plus Atrial Fibrillation Trial; UNmasking Dormant Electrical Reconduction by Adenosine TriPhosphate Trial; Efficacy of Antiarrhythmic Drugs Short-Term Use After Catheter Ablation for Atrial Fibrillation Trial[NCT01477983]	Phase 4	2,113 participants (Actual)	Interventional	2011-11-30	Completed
Targeted Pharmacological Reversal of Electrical Remodeling After Cardioversion.[NCT00215774]		760 participants (Actual)	Interventional	2005-03-31	Completed
First-line Cryoablation for Early Treatment of Persistent Atrial Fibrillation - a Randomized Study Comparing Early Trigger Isolation Using the Cryoballoon Versus Antiarrhythmic Medication[NCT05939076]	Phase 3	220 participants (Anticipated)	Interventional	2023-08-21	Not yet recruiting
[NCT00000526]	Phase 3	0 participants	Interventional	1986-08-31	Completed
A Prospective Randomized Crossover Trial of Oral Flecainide for Catecholaminergic Polymorphic Ventricular Tachycardia[NCT01117454]		14 participants (Actual)	Interventional	2011-12-31	Completed
A Randomized Comparison of the Efficacy of Antiarrhythmic Drug Therapy and Radiofrequency Catheter Ablation for the Maintenance of Sinus Rhythm In Patients With Paroxysmal Atrial Fibrillation[NCT00540787]	Phase 4	112 participants (Actual)	Interventional	2003-08-31	Completed
Study of Focused Circumferential UltraSound for the Treatment of Atrial Fibrillation[NCT00392106]	Phase 3	240 participants (Anticipated)	Interventional	2006-04-30	Suspended(stopped due to voluntarily by Sponsor to investigate an anticipated SAE)
Early Aggressive Invasive Intervention for Atrial Fibrillation[NCT02825979]		303 participants (Actual)	Interventional	2017-01-31	Active, not recruiting
Effects of Carvedilol on Suppressing the Premature Ventricular Complex/Ventricular Tachycardia From Outflow Tract[NCT03587558]	Phase 4	104 participants (Anticipated)	Interventional	2017-09-05	Recruiting
Impact of Oral Controlled Release Flecainide Acetate Capsules on Health-Related QoL in Patients With Paroxysmal Atrial Fibrillation[NCT00189319]	Phase 4	200 participants	Interventional	2003-09-30	Completed
Effects of Vernakalant and Flecainide on Atrial Contractility in Patients With Atrial Fibrillation[NCT01646281]	Phase 4	70 participants (Anticipated)	Interventional	2012-08-31	Not yet recruiting
Progression of Atrial Fibrillation After a Failed Initial Ablation Procedure in Patients With Paroxysmal Atrial Fibrillation: A Randomized Comparison of the Drug Therapy Versus Re-Ablation[NCT01709682]	Phase 2	154 participants (Actual)	Interventional	2007-11-30	Completed
Efficacy of Pilsicainide After Radiofrequency Ablation of Paroxysmal Atrial Fibrillation Compared With Other Class IC Anti-arrhythmic Drugs[NCT01775891]		245 participants (Anticipated)	Interventional	2012-07-31	Recruiting
[NCT01780311]	Phase 4	0 participants	Interventional	2013-01-31	Recruiting
Ablation Verses Anti-arrhythmic Therapy for Reducing All Hospital Episodes From Recurrent Atrial Fibrillation[NCT02459574]		300 participants (Anticipated)	Interventional	2015-05-01	Completed
A Single Site, Interventional, Comparative Study to Evaluate the Safety and Efficacy of Ranolazine Plus Metoprolol Combination vs. FlecainidE pluS Metoprolol Combination in ATrial Fibrillation Recurrences[NCT03162120]	Phase 2/Phase 3	0 participants (Actual)	Interventional	2018-09-01	Withdrawn(stopped due to new study type, it will be re-organiZed as an Investigator Initiated Study (IIS))
Shortening Duration of Antiarrhythmic Medication for SVT in Infants[NCT04837261]		70 participants (Anticipated)	Observational	2021-04-15	Recruiting
The Effects of PVC Suppression on Blood Pressure Control in Patients With Frequent PVCs[NCT01833455]	Phase 2	8 participants (Actual)	Interventional	2013-02-28	Terminated(stopped due to Insufficient enrollment.)
Elimination of Ventricular Premature Beats With CaTheter Ablation Versus OPtImal Anti-arrhythmic Drug Treatment[NCT03845010]		22 participants (Actual)	Interventional	2019-02-12	Completed
A Prospective Study of Medical Therapy Against Cryoballoon Ablation in Symptomatic Recent Onset Persistent Atrial Fibrilation[NCT02389218]	Phase 4	13 participants (Actual)	Interventional	2015-03-03	Completed
A Randomised Double-blind Pilot Study Comparing Flecainide CR and Placebo in the Early Treatment of Patients With a Documented First Episode of Atrial Fibrillation.[NCT00408473]	Phase 4	256 participants	Interventional		Terminated
FAST RCT: Prospective Randomized Clinical Trial of Fetal Atrial Flutter & Supraventricular Tachycardia Therapy[NCT02624765]	Phase 3	600 participants (Anticipated)	Interventional	2016-02-29	Recruiting
Pilot Randomized Trial With Flecainide in ARVC Patients[NCT03685149]	Phase 2	23 participants (Actual)	Interventional	2019-07-31	Completed
A Randomized Trial to Assess the Utility of Empirical Anti-Arrhythmic Drug Therapy to Prevent Atrial Arrhythmia During the 6 Weeks Following Pulmonary Vein Isolation to Treat Paroxysmal Atrial Fibrillation[NCT00408200]		110 participants (Actual)	Interventional	2006-11-30	Completed
Acute Cardioversion Versus Wait And See-approach for Symptomatic Atrial Fibrillation in the Emergency Department (RACE 7 ACWAS-trial)[NCT02248753]		437 participants (Actual)	Interventional	2014-10-31	Completed
A Prospective Randomized Multicenter Study of Flecainide Acetate Oral Inhalation Solution in Single and Repeat Dose Regimens for Acute Conversion to Sinus Rhythm in Subjects With Recent Onset of Symptomatic Paroxysmal Atrial Fibrillation[NCT03539302]	Phase 2	170 participants (Actual)	Interventional	2018-05-29	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	score on a scale (Least Squares Mean)
Modafinil + Placebo	6.37
THN102 300/3	6.94
THN102 300/27	7.25

Intervention	score on a scale (Mean)
Modafinil + Placebo	6.3
THN102 300/3	7.0
THN102 300/27	7.0

Intervention	score on a scale (Least Squares Mean)
Modafinil + Placebo	14.68
THN102 300/3	15.34
THN102 300/27	15.34

Intervention	units on a scale (Mean)
Modafinil + Placebo	70.10
THN102 300/3	66.13
THN102 300/27	66.72

Intervention	score on a scale (Mean)
Modafinil + Placebo	0.86
THN102 300/3	1.16
THN102 300/27	1.24

Intervention	participants (Number)
Cryoablation	160

Intervention	participants (Number)
Cryoablation	5

Intervention	participants (Number)
Cryoablation	117
Standard Treatment With Drugs Only	6

Intervention	participants (Number)
Cryoablation	158
Standard Treatment With Drugs Only	75

Intervention	participants (Number)
Cryoablation	114
Standard Treatment With Drugs Only	6

Intervention	Participants (Count of Participants)
Flecainide	2
Placebo	9

Intervention	ms/mmHg (Mean)
Change From Base 1 to PVC Suppression	4
Change From Base 2 to no PVC Suppression	6
Change From Base 1 to no PVC Suppression	8
Change From Base 2 to PVC Suppression	15

Intervention	mmHg (Mean)
Change From Base 1 to PVC Suppression	2
Change From Base 2 to no PVC Suppression	1
Change From Base 1 to no PVC Suppression	3
Change From Base 2 to PVC Suppression	-4

Intervention	bursts / 100 heartbeats (Number)
Change From Base 1 to PVC Suppression	1
Change From Base 2 to no PVC Suppression	-10
Change From Base 1 to no PVC Suppression	-3
Change From Base 2 to PVC Suppression	15

Intervention	participants (Number)
AAD:NO	24
AAD:YES	10

Intervention	participants (Number)
AAD:NO	39
AAD:YES	35

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
lidocaine	[no description available]	high	144	8	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
lidocaine	[no description available]	high	144	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
sematilide	[no description available]	medium	6	0
quinidine	[no description available]	high	154	16	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	154	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
4-hydroxy-n-phenyl-3,5-bis(1-pyrrolidinylmethyl)benzamide	[no description available]	medium	1	0
4-aminopyridine	[no description available]	medium	16	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
nifedipine	[no description available]	medium	24	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
tetraethylammonium	[no description available]	medium	8	0	quaternary ammonium ion
diltiazem	[no description available]	medium	33	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
diltiazem	[no description available]	medium	33	1	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
cromakalim	[no description available]	medium	1	0	1-benzopyran
capsaicin	[no description available]	medium	4	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
resiniferatoxin	[no description available]	medium	1	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
mast cell degranulating peptide	[no description available]	medium	1	0
disopyramide	[no description available]	high	100	7	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disopyramide	[no description available]	high	100	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
sotalol	[no description available]	high	121	18	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sotalol	[no description available]	high	121	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
encainide	[no description available]	high	136	44	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
encainide	[no description available]	high	136	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
uk 68798	[no description available]	high	32	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
uk 68798	[no description available]	high	32	2	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
coumarin	[no description available]	medium	2	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid	[no description available]	medium	4	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
phenytoin	[no description available]	medium	17	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
tacrine	[no description available]	medium	8	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	high	15	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	17	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	11	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprazolam	[no description available]	medium	11	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	10	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine	[no description available]	medium	12	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
theophylline	[no description available]	medium	11	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone	[no description available]	medium	190	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amiodarone	[no description available]	medium	190	20	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	17	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	12	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]	medium	14	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aspirin	[no description available]	medium	14	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	high	21	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
bepridil	[no description available]	high	21	2	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bepridil	[no description available]	high	21	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betaxolol	[no description available]	medium	13	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	17	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	12	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	19	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]	high	95	11	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	high	95	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine	[no description available]	medium	14	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carteolol	[no description available]	medium	5	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
carvedilol	[no description available]	medium	13	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	7	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	8	0	benzodiazepine
chloroquine	[no description available]	medium	12	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	5	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpheniramine	[no description available]	medium	14	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	21	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide	[no description available]	medium	10	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	8	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	35	0	diarylmethane
cifenline	[no description available]	medium	35	4	diarylmethane
cimetidine	[no description available]	medium	18	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cisapride	[no description available]	medium	11	0	benzamides
cisapride	[no description available]	medium	11	1	benzamides
citalopram	[no description available]	medium	15	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clobazam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clomipramine	[no description available]	medium	10	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine	[no description available]	medium	13	0	clonidine; imidazoline
desipramine	[no description available]	medium	21	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
nordazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	medium	16	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	medium	9	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
diclofenac	[no description available]	medium	13	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	9	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	15	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
valproic acid	[no description available]	medium	11	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
domperidone	[no description available]	medium	10	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	5	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
doxepin	[no description available]	medium	6	0	dibenzooxepine; tertiary amino compound	antidepressant
ethosuximide	[no description available]	medium	5	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
felodipine	[no description available]	medium	12	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenfluramine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
berotek	[no description available]	medium	9	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluconazole	[no description available]	medium	12	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	9	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flumazenil	[no description available]	medium	9	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
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	9	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	13	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
furosemide	[no description available]	medium	15	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	7	0	aromatic ether	antilipemic drug
glipizide	[no description available]	medium	6	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	14	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
haloperidol	[no description available]	medium	21	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexobarbital	[no description available]	medium	4	0	barbiturates
hydralazine	[no description available]	medium	8	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	9	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
imipramine	[no description available]	medium	27	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
imipramine	[no description available]	medium	27	4	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	11	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin	[no description available]	high	13	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
isoniazid	[no description available]	medium	9	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	21	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoproterenol	[no description available]	medium	21	1	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	6	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	5	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
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	8	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]	medium	14	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	8	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	11	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine	[no description available]	medium	3	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lorazepam	[no description available]	medium	10	0	benzodiazepine
mabuterol	[no description available]	medium	1	0	(trifluoromethyl)benzenes
maprotiline	[no description available]	medium	9	0	anthracenes
mebendazole	[no description available]	medium	7	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meperidine	[no description available]	medium	9	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	5	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
methadone	[no description available]	medium	14	0	benzenes; diarylmethane; ketone; tertiary amino compound
metoclopramide	[no description available]	medium	14	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	high	26	2	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metoprolol	[no description available]	high	26	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	14	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	96	6	aromatic ether; primary amino compound	anti-arrhythmia drug
mexiletine	[no description available]	high	96	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mianserin	[no description available]	medium	6	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
midazolam	[no description available]	medium	10	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone	[no description available]	medium	5	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	6	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	8	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	8	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nilvadipine	[no description available]	medium	2	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimodipine	[no description available]	medium	10	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	8	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	6	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	13	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nizatidine	[no description available]	medium	11	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
nortriptyline	[no description available]	medium	13	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	high	16	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	11	0	carbazoles
oxaprozin	[no description available]	medium	4	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	9	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxprenolol	[no description available]	medium	7	0	aromatic ether
pentoxifylline	[no description available]	medium	9	0	oxopurine
perphenazine	[no description available]	medium	12	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenobarbital	[no description available]	medium	10	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	3	0	phenols
phenylbutazone	[no description available]	medium	3	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	10	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pirenzepine	[no description available]	medium	3	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
prazosin	[no description available]	medium	11	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	8	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	5	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	11	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	5	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	high	70	1	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procainamide	[no description available]	high	70	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	5	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	4	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promethazine	[no description available]	medium	10	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone	[no description available]	high	179	34	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propafenone	[no description available]	high	179	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	high	55	3	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	55	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline	[no description available]	medium	4	0	carbotricyclic compound	antidepressant
raloxifene	[no description available]	medium	2	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	13	0	aralkylamine
riluzole	[no description available]	medium	8	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	9	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	9	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	6	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulpiride	[no description available]	medium	8	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan	[no description available]	medium	13	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
temazepam	[no description available]	medium	5	0	benzodiazepine
temazepam	[no description available]	medium	5	1	benzodiazepine
terazosin	[no description available]	medium	9	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	13	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thioridazine	[no description available]	medium	14	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
tizanidine	[no description available]	medium	8	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	10	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin	[no description available]	medium	3	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
trazodone	[no description available]	medium	11	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	7	0	pteridines	diuretic; sodium channel blocker
triazolam	[no description available]	medium	8	0	triazolobenzodiazepine	sedative
trimethoprim	[no description available]	medium	18	0	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	13	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	12	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	5	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	10	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	14	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	7	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
phenylephrine	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
oxacillin	[no description available]	medium	5	0	penicillin	antibacterial agent; antibacterial drug
norethindrone	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
methylprednisolone	[no description available]	medium	11	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
nafcillin	[no description available]	medium	5	0	penicillin allergen; penicillin	antibacterial drug
betamethasone	[no description available]	medium	8	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
dextropropoxyphene	[no description available]	medium	7	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
chlormethiazole	[no description available]	medium	4	0	thiazoles
ethambutol	[no description available]	medium	7	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	7	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	7	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	11	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
dicloxacillin	[no description available]	medium	7	0	dichlorobenzene; penicillin	antibacterial drug
zalcitabine	[no description available]	medium	6	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
selegiline	[no description available]	medium	11	0	selegiline; terminal acetylenic compound	geroprotector
clemastine	[no description available]	medium	2	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
du-21220	[no description available]	medium	3	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
timolol	[no description available]	high	15	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	5	0	tryptamines
moricizine	[no description available]	high	49	27	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
moricizine	[no description available]	high	49	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
zidovudine	[no description available]	medium	11	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
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	46	2	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
tocainide	[no description available]	high	46	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	19	0
meptazinol	[no description available]	medium	3	0	azepanes
prenalterol	[no description available]	medium	2	0	aromatic ether
lorcainide	[no description available]	medium	30	0	acetamides
lorcainide	[no description available]	medium	30	1	acetamides
paroxetine	[no description available]	high	14	1	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
paroxetine	[no description available]	high	14	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	11	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
lovastatin	[no description available]	medium	7	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	5	0	aromatic ketone
simvastatin	[no description available]	medium	5	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	8	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	6	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	4	0	aromatic compound
bufuralol	[no description available]	medium	7	0	benzofurans
epanolol	[no description available]	medium	2	0	acetamides
methotrimeprazine	[no description available]	medium	7	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
atovaquone	[no description available]	medium	7	0	hydroxy-1,2-naphthoquinone
nicotine	[no description available]	medium	14	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
methotrexate	[no description available]	medium	11	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
xamoterol	[no description available]	medium	4	0	morpholines
naproxen	[no description available]	medium	10	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
atropine	[no description available]	medium	20	0
rimiterol	[no description available]	medium	2	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	9	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
terbinafine	[no description available]	medium	6	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
raclopride	[no description available]	medium	1	0	salicylamides
quinine	[no description available]	medium	10	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
zofenoprilate	[no description available]	medium	1	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
codeine	[no description available]	medium	12	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
naloxone	[no description available]	medium	12	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
morphine	[no description available]	medium	14	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
nalbuphine	[no description available]	medium	5	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	6	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	7	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	8	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
nitrofurantoin	[no description available]	medium	9	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	3	0	nitrofuran antibiotic
scopolamine hydrobromide	[no description available]	medium	7	0
scopolamine hydrobromide	[no description available]	medium	7	1
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	13	0	benzenes; hydroxycoumarin; methyl ketone
ajmaline	[no description available]	medium	2	0
clozapine	[no description available]	medium	23	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	11	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	14	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
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	10	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
bay h 4502	[no description available]	medium	2	0	biphenyls; imidazoles
bromazepam	[no description available]	medium	7	0	organic molecular entity
clotrimazole	[no description available]	medium	5	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	10	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
tetracaine	[no description available]	medium	7	0	benzoate ester; tertiary amino compound	local anaesthetic
tiapride	[no description available]	medium	1	0	benzamides
tolnaftate	[no description available]	medium	2	0	monothiocarbamic ester	antifungal drug
trichlormethiazide	[no description available]	medium	3	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
triflupromazine	[no description available]	medium	3	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
hydrocortisone acetate	[no description available]	medium	2	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	1	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	7	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	3	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	5	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cocaine	[no description available]	medium	13	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	2	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
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
quinacrine	[no description available]	medium	9	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
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]	high	10	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
itraconazole	[no description available]	medium	9	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	8	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
ergotamine	[no description available]	medium	6	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
paclitaxel	[no description available]	medium	8	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	10	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
alosetron	[no description available]	medium	5	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
astemizole	[no description available]	high	12	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
cetirizine	[no description available]	medium	7	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
ciprofloxacin	[no description available]	medium	13	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
droperidol	[no description available]	medium	10	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
e 4031	[no description available]	medium	18	0	sulfonamide
epinastine	[no description available]	medium	3	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
ketoconazole	[no description available]	medium	11	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
mefloquine hydrochloride	[no description available]	medium	6	0	organofluorine compound; piperidines; quinolines; secondary alcohol
mesoridazine	[no description available]	medium	8	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
ofloxacin	[no description available]	medium	14	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
perhexiline	[no description available]	high	8	0	piperidines	cardiovascular drug
gatifloxacin	[no description available]	medium	9	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	14	0	diarylmethane
vesnarinone	[no description available]	medium	4	0	organic molecular entity
halofantrine	[no description available]	medium	7	0	phenanthrenes
sertindole	[no description available]	medium	5	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
sparfloxacin	[no description available]	medium	9	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
ibutilide	[no description available]	medium	21	0	benzenes; organic amino compound
ibutilide	[no description available]	medium	21	2	benzenes; organic amino compound
mizolastine	[no description available]	medium	5	0	benzimidazoles
terikalant	[no description available]	medium	3	0	piperidines
grepafloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
clarithromycin	[no description available]	medium	12	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
tecastemizole	[no description available]	medium	2	0
levofloxacin	[no description available]	medium	13	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
moxifloxacin	[no description available]	medium	12	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
desmethylastemizole	[no description available]	medium	2	0	benzimidazoles
mefloquine hydrochloride	[no description available]	medium	1	0
dolasetron	[no description available]	medium	6	0	indolyl carboxylic acid
1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone	[no description available]	medium	1	0	piperazines
azimilide	[no description available]	medium	6	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
norclozapine	[no description available]	medium	5	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
promazine	[no description available]	medium	5	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
propofol	[no description available]	medium	7	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
trimipramine	[no description available]	medium	7	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
galantamine	[no description available]	medium	5	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	2	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	9	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	6	0	dimethoxybenzene
atomoxetine	[no description available]	medium	7	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	5	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	9	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	7	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
ebastine	[no description available]	medium	2	0	organic molecular entity
granisetron	[no description available]	medium	9	0	aromatic amide; indazoles
lidoflazine	[no description available]	medium	2	0	diarylmethane
ziprasidone	[no description available]	medium	9	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine	[no description available]	medium	1	0
bupropion	[no description available]	medium	7	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	6	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
amlexanox	[no description available]	medium	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amoxapine	[no description available]	medium	5	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
anastrozole	[no description available]	medium	3	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	6	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
baclofen	[no description available]	medium	4	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bicalutamide	[no description available]	medium	4	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
buspirone	[no description available]	medium	9	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	8	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butenafine	[no description available]	medium	1	0	naphthalenes; tertiary amine	antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor
carmustine	[no description available]	medium	7	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
chlormezanone	[no description available]	medium	3	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
ciclopirox	[no description available]	medium	1	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	3	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	4	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	3	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	3	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
brl 42810	[no description available]	medium	5	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	6	0	carbamate ester	anticonvulsant; neuroprotective agent
fexofenadine	[no description available]	medium	5	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fluphenazine	[no description available]	medium	5	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
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	8	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
foscarnet	[no description available]	medium	6	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	6	0	sulfonamide
guanfacine	[no description available]	medium	5	0	acetamides
halothane	[no description available]	high	8	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
halothane	[no description available]	high	8	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hydroxyurea	[no description available]	medium	9	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine	[no description available]	medium	8	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	6	0	primary amine
ifosfamide	[no description available]	medium	6	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
indapamide	[no description available]	medium	6	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iodixanol	[no description available]	medium	1	0	organoiodine compound	radioopaque medium
iohexol	[no description available]	medium	3	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	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]	high	3	0	organofluorine compound	inhalation anaesthetic
lomefloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
losartan	[no description available]	medium	7	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine	[no description available]	medium	5	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
meclofenamic acid	[no description available]	medium	4	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	5	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	5	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	10	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	7	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
norfloxacin	[no description available]	medium	7	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
pamidronate	[no description available]	medium	4	0	phosphonoacetic acid
pemoline	[no description available]	medium	3	0	1,3-oxazoles	central nervous system stimulant
pentamidine	[no description available]	high	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	2	0	pyridines
prazepam	[no description available]	medium	1	0	benzodiazepine
praziquantel	[no description available]	medium	6	0	isoquinolines
procarbazine	[no description available]	medium	5	0	benzamides; hydrazines	antineoplastic agent
sch 16134	[no description available]	medium	2	0	benzodiazepine
rimantadine	[no description available]	medium	2	0	alkylamine
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sevoflurane	[no description available]	medium	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sulconazole	[no description available]	medium	1	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
sulfasalazine	[no description available]	medium	8	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	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
thiotepa	[no description available]	medium	6	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	5	0	N-acyl-amino acid
trientine	[no description available]	medium	1	0	polyazaalkane; tetramine	copper chelator
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
trimethadione	[no description available]	medium	6	0	oxazolidinone	anticonvulsant; geroprotector
trimetrexate	[no description available]	medium	5	0
ici 204,219	[no description available]	medium	3	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	6	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zomepirac	[no description available]	medium	1	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	5	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
pilocarpine	[no description available]	medium	4	0	pilocarpine	antiglaucoma drug
vincristine	[no description available]	medium	5	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
testosterone propionate	[no description available]	medium	2	0	steroid ester
bretylium tosylate	[no description available]	high	6	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
cytarabine	[no description available]	medium	6	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	3	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate	[no description available]	medium	2	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	3	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
estradiol 17 beta-cypionate	[no description available]	medium	1	0	steroid ester
testosterone enanthate	[no description available]	medium	2	0	heptanoate ester; sterol ester	androgen
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	4	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin	[no description available]	medium	12	0	cyclic ketone; erythromycin
levonorgestrel	[no description available]	medium	4	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	2	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	7	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	2	0	2-phenylcyclopropan-1-amine
cladribine	[no description available]	medium	5	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
beclomethasone	[no description available]	medium	4	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
estradiol enanthate	[no description available]	medium	1	0	steroid ester
betamethasone-17,21-dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester	antipsoriatic
olsalazine	[no description available]	medium	6	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
levamisole	[no description available]	medium	5	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	8	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	4	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	5	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ursodeoxycholic acid	[no description available]	medium	4	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
metipranolol	[no description available]	high	2	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
halazepam	[no description available]	medium	3	0	organic molecular entity
cefazolin	[no description available]	medium	7	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	7	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
etoposide	[no description available]	medium	10	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
ribavirin	[no description available]	medium	8	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	13	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
levobunolol	[no description available]	medium	1	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
vecuronium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
permethrin	[no description available]	medium	2	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
torsemide	[no description available]	medium	7	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	6	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
cefonicid	[no description available]	medium	2	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	8	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	4	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	7	0	cephalosporin	antibacterial drug
nedocromil	[no description available]	medium	2	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
cefaclor anhydrous	[no description available]	medium	4	0	cephalosporin	antibacterial drug; drug allergen
cefotetan	[no description available]	medium	5	0
levocabastine	[no description available]	medium	1	0	piperidines
pravastatin	[no description available]	medium	7	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
cabergoline	[no description available]	medium	2	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
quinapril	[no description available]	medium	7	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	5	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	8	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
adapalene	[no description available]	medium	1	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
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	6	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
topotecan	[no description available]	medium	4	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	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	5	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	9	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	6	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	7	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adenosine	[no description available]	high	13	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
adenosine	[no description available]	high	13	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	5	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
sertraline	[no description available]	medium	7	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
erythromycin propionate	[no description available]	medium	1	0	erythromycin derivative
dexrazoxane	[no description available]	medium	5	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
antebate	[no description available]	medium	1	0	corticosteroid hormone
flunisolide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
moexipril	[no description available]	medium	3	0	peptide
docetaxel	[no description available]	medium	4	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
ropivacaine	[no description available]	medium	4	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	4	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
pentostatin	[no description available]	medium	3	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
meropenem	[no description available]	medium	5	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
saquinavir	[no description available]	medium	6	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	7	0
metyrosine	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
terconazole	[no description available]	medium	1	0	1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bacampicillin	[no description available]	medium	2	0	penicillanic acid ester	prodrug
erythromycin ethylsuccinate	[no description available]	medium	2	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
amcinonide	[no description available]	medium	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	4	0	amino cyclitol; glycoside
mycophenolic acid	[no description available]	medium	4	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	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
fosfomycin	[no description available]	medium	8	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
teniposide	[no description available]	medium	6	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	5	0	cephalosporin; semisynthetic derivative	antibacterial drug
dactinomycin	[no description available]	medium	3	0	actinomycin	mutagen
melphalan	[no description available]	medium	9	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	3	0	purine nucleoside
propylthiouracil	[no description available]	medium	8	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	6	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
thiothixene	[no description available]	medium	4	0	N-methylpiperazine	anticoronaviral agent
benztropine	[no description available]	medium	4	0	diarylmethane
sulindac	[no description available]	medium	7	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	9	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	6	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
dezocine	[no description available]	medium	1	0	phenols; primary amino compound	opioid analgesic
dapiprazole	[no description available]	medium	1	0	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug
flosequinan	[no description available]	medium	2	0	quinolines
calcitriol	[no description available]	medium	4	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
alprostadil	[no description available]	medium	5	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	6	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
pulmicort	[no description available]	medium	6	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
olopatadine	[no description available]	medium	1	0
bw b1090u	[no description available]	medium	1	0	isoquinolines
7432 s	[no description available]	medium	3	0	cephalosporin; dicarboxylic acid	antibacterial drug
etretinate	[no description available]	medium	3	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	4	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	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	3	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
ly 163892	[no description available]	medium	5	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nalmefene	[no description available]	medium	3	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	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
halobetasol	[no description available]	medium	1	0	corticosteroid hormone
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
rimexolone	[no description available]	medium	1	0	20-oxo steroid
vinorelbine	[no description available]	medium	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	9	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	7	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	4	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
indinavir sulfate	[no description available]	medium	5	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	9	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
cefuroxime	[no description available]	medium	7	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	11	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	4	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz	[no description available]	medium	3	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	7	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	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
ceftizoxime	[no description available]	medium	6	0	cephalosporin	antibacterial drug
dantrolene	[no description available]	medium	5	0
fosinopril	[no description available]	medium	4	0
nystatin a1	[no description available]	medium	2	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	11	0
minocycline	[no description available]	medium	8	0
piroxicam	[no description available]	medium	7	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	10	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
rifampin	[no description available]	medium	9	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	6	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	7	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valacyclovir	[no description available]	medium	2	0	L-valyl ester	antiviral drug
penciclovir	[no description available]	medium	5	0	2-aminopurines; propane-1,3-diols	antiviral drug
rifabutin	[no description available]	medium	6	0
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	3	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acetazolamide	[no description available]	medium	6	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
alfuzosin	[no description available]	medium	4	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amsacrine	[no description available]	medium	3	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
biperiden	[no description available]	medium	3	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bromopride	[no description available]	medium	2	0	benzamides
buflomedil	[no description available]	medium	3	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
bupivacaine	[no description available]	medium	7	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
metrizoate	[no description available]	medium	3	0	monocarboxylic acid	radioopaque medium
dapsone	[no description available]	medium	8	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
amphetamine	[no description available]	medium	4	0	primary amine
doxapram	[no description available]	medium	4	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
dyphylline	[no description available]	medium	5	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	5	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	4	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	2	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
hydroflumethiazide	[no description available]	medium	5	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hypericin	[no description available]	medium	1	0
iothalamic acid	[no description available]	medium	2	0	organic molecular entity
avapro	[no description available]	medium	4	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ketanserin	[no description available]	medium	6	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
letrozole	[no description available]	medium	5	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
mepivacaine	[no description available]	medium	5	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	4	0	organic molecular entity
methapyrilene	[no description available]	medium	4	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
acecainide	[no description available]	high	5	1	acetamides; benzamides	anti-arrhythmia drug
acecainide	[no description available]	high	5	0	acetamides; benzamides	anti-arrhythmia drug
naratriptan	[no description available]	medium	4	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
nomifensine	[no description available]	medium	7	0	isoquinolines	dopamine uptake inhibitor
oxiracetam	[no description available]	medium	2	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	2	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
pantoprazole	[no description available]	medium	7	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
papaverine	[no description available]	medium	7	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentobarbital	[no description available]	medium	6	0	barbiturates	GABAA receptor agonist
phenacetin	[no description available]	medium	7	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	5	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	3	0	aromatic ether
prilocaine	[no description available]	high	3	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
pyridostigmine	[no description available]	medium	4	0	pyridinium ion
pyrimethamine	[no description available]	medium	5	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
rizatriptan	[no description available]	medium	4	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
risedronic acid	[no description available]	medium	5	0	pyridines
imatinib	[no description available]	medium	4	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	3	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	4	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	4	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tranexamic acid	[no description available]	medium	4	0	amino acid
viloxazine	[no description available]	medium	2	0	aromatic ether
zaleplon	[no description available]	medium	4	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zopiclone	[no description available]	medium	4	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
cephaloridine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
penicillin g	[no description available]	medium	8	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
apomorphine	[no description available]	medium	4	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	3	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	3	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	6	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
ampicillin	[no description available]	medium	9	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
phencyclidine	[no description available]	medium	3	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	8	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	4	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
neostigmine bromide	[no description available]	medium	3	0	bromide salt
pirinitramide	[no description available]	medium	2	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	4	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
ketobemidone	[no description available]	medium	1	0	piperidines
methamphetamine	[no description available]	medium	4	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
vinblastine	[no description available]	medium	7	0
vancomycin	[no description available]	medium	6	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	1	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	1	0	aromatic ketone
doxifluridine	[no description available]	medium	5	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
streptomycin	[no description available]	medium	6	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
carbenicillin	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug
floxacillin	[no description available]	medium	6	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	6	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	5	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
endralazine	[no description available]	medium	1	0	benzamides
pefloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
recainam	[no description available]	medium	5	0
flupirtine	[no description available]	medium	3	0	aminopyridine
idazoxan	[no description available]	medium	2	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
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
tiagabine	[no description available]	medium	6	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
aripiprazole	[no description available]	medium	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
ibandronic acid	[no description available]	medium	3	0
zanamivir	[no description available]	medium	3	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan	[no description available]	medium	4	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
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
repaglinide	[no description available]	medium	5	0	piperidines
telmisartan	[no description available]	medium	7	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	4	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	1	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
eletriptan	[no description available]	medium	3	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone	[no description available]	medium	7	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
mci 9038	[no description available]	medium	2	0	peptide
imipenem, anhydrous	[no description available]	medium	3	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
bosentan anhydrous	[no description available]	medium	5	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	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
almotriptan	[no description available]	medium	3	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
gefitinib	[no description available]	medium	4	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
tamsulosin	[no description available]	medium	4	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	3	0	penicillanic acids
dilevalol	[no description available]	medium	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	3	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	3	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	1	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	5	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	3	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
digitoxin	[no description available]	medium	7	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
abacavir	[no description available]	medium	4	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
miglitol	[no description available]	medium	4	0	piperidines
linezolid	[no description available]	medium	6	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
darifenacin	[no description available]	medium	3	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
tacrolimus	[no description available]	medium	5	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	5	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	5	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	8	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	4	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	4	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
methimazole	[no description available]	medium	5	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
drotaverin	[no description available]	medium	3	0	isoquinolines
digoxin	[no description available]	high	86	11	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	86	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
cancidas	[no description available]	medium	2	0
lincomycin	[no description available]	medium	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	3	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
hmr 3647	[no description available]	medium	4	0
nelarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	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	4	0	steroid	estrogen
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	6	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	6	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
clavulanic acid	[no description available]	medium	5	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
eprosartan	[no description available]	medium	5	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	6	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mivacurium	[no description available]	medium	2	0	isoquinolines
entacapone	[no description available]	medium	5	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol	[no description available]	medium	4	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	2	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclosporine	[no description available]	medium	7	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
alvocidib	[no description available]	medium	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	2	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	4	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	8	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	4	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	1	0
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
artesunate	[no description available]	medium	2	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	2	0	macrolide lactam
bms188797	[no description available]	medium	1	0
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	4	0
teicoplanin	[no description available]	medium	2	0
ly-146032	[no description available]	medium	3	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
chlortetracycline	[no description available]	medium	6	0
oxytetracycline, anhydrous	[no description available]	medium	6	0
roquinimex	[no description available]	medium	2	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	3	0
dacarbazine	[no description available]	medium	6	0	dacarbazine
vardenafil	[no description available]	medium	4	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
leucovorin	[no description available]	medium	6	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
aprepitant	[no description available]	medium	2	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
mdl 74156	[no description available]	medium	2	0
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	3	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
acetohexamide	[no description available]	medium	2	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	6	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
celiprolol	[no description available]	medium	2	0	aromatic ketone
chloral hydrate	[no description available]	medium	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol	[no description available]	medium	4	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	8	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	4	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	3	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
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
dipyridamole	[no description available]	high	4	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
glutethimide	[no description available]	medium	3	0	piperidines
guanethidine	[no description available]	medium	5	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
iproniazid	[no description available]	medium	4	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	4	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
mechlorethamine	[no description available]	medium	3	0	nitrogen mustard; organochlorine compound	alkylating agent
mephenytoin	[no description available]	medium	6	0	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	medium	3	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide	[no description available]	medium	2	0	benzothiadiazine
methyl salicylate	[no description available]	medium	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	6	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	medium	4	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nylidrin	[no description available]	medium	2	0	alkylbenzene
4-dichlorobenzene	[no description available]	medium	1	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	3	0	acetamides
phenazopyridine	[no description available]	medium	2	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
procaine	[no description available]	medium	5	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
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	1	0	sulfonamide antibiotic	antiinfective agent
sulfamethazine	[no description available]	medium	3	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
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	2	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfathiazole	[no description available]	medium	2	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfoxone	[no description available]	medium	1	0	sulfonamide
tegafur	[no description available]	medium	2	0	organohalogen compound; pyrimidines
thiabendazole	[no description available]	medium	4	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2,2'-thiodiethanol	[no description available]	medium	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
tolazamide	[no description available]	medium	4	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
urethane	[no description available]	medium	2	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	1	0	piperidines
reserpine	[no description available]	medium	5	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
triethylenemelamine	[no description available]	medium	1	0	1,3,5-triazines	alkylating agent; insect sterilant
allobarbital	[no description available]	medium	2	0	barbiturates
paramethasone	[no description available]	medium	2	0	fluorinated steroid
azauridine	[no description available]	medium	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
physostigmine	[no description available]	medium	7	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
physostigmine	[no description available]	medium	7	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
dromostanolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
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
cloxacillin	[no description available]	medium	4	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
zoxazolamine	[no description available]	medium	2	0	benzoxazole
aniline	[no description available]	medium	1	0	anilines; primary arylamine
uracil mustard	[no description available]	medium	1	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
fluocinolone acetonide	[no description available]	medium	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
mannitol	[no description available]	medium	5	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
sulfobromophthalein sodium	[no description available]	medium	2	0	organic sodium salt	dye
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
pseudoephedrine	[no description available]	medium	4	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	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	2	0	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
emetine	[no description available]	medium	4	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
pamaquine	[no description available]	medium	1	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	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	3	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
triamcinolone	[no description available]	medium	4	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
etidocaine	[no description available]	medium	2	0	amino acid amide	local anaesthetic
nimustine	[no description available]	medium	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
butibufen	[no description available]	medium	2	0	monoterpenoid
spiromustine	[no description available]	medium	1	0
diaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
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	1	0
oxytocin	[no description available]	medium	4	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
angustibalin	[no description available]	medium	1	0	sesquiterpene lactone
metrizamide	[no description available]	medium	2	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	1	0	alkylbenzene
aceglatone	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	3	0
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	2	0	alcohol; organobromine compound
octotropine methylbromide	[no description available]	medium	3	0
methylatropine nitrate	[no description available]	medium	1	0
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	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	4	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
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	4	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
butylscopolammonium bromide	[no description available]	medium	2	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
thioacetazone	[no description available]	medium	1	0
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	2	0	21-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose	[no description available]	medium	1	0
ro 6-4563	[no description available]	medium	1	0	monoterpenoid
flucloronide	[no description available]	medium	1	0	21-hydroxy steroid
hainanolide	[no description available]	medium	1	0
gliocladic acid	[no description available]	medium	1	0	p-menthane monoterpenoid
cleistanthin	[no description available]	medium	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
nimorazole	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	5	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	3	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	2	0
7-deazaguanosine	[no description available]	medium	1	0
pyrazofurin	[no description available]	medium	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate	[no description available]	medium	1	0	folic acids
5-methyltetrahydrohomofolic acid	[no description available]	medium	1	0
ninopterin	[no description available]	medium	1	0
dan 2163	[no description available]	medium	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
practolol	[no description available]	medium	4	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
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
betaine	[no description available]	medium	4	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	2	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
creatine	[no description available]	medium	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	3	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	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	4	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	2	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	2	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	5	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	1	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	3	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	2	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	1	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
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	3	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	1	0	anthracenes	antipsoriatic
barbital	[no description available]	medium	2	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	3	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
carisoprodol	[no description available]	medium	2	0	carbamate ester	muscle relaxant
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
celecoxib	[no description available]	medium	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chloroxylenol	[no description available]	medium	2	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorzoxazone	[no description available]	medium	3	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
ciprofibrate	[no description available]	medium	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	5	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
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	3	0	carboxylic ester; secondary alcohol	vasodilator agent
cyproheptadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
deferoxamine	[no description available]	medium	3	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine	[no description available]	medium	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
fenofibrate	[no description available]	medium	3	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flufenamic acid	[no description available]	medium	3	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fomepizole	[no description available]	medium	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	medium	3	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	4	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	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoxsuprine	[no description available]	medium	4	0	alkylbenzene
khellin	[no description available]	medium	1	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
loperamide	[no description available]	high	3	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
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
meclizine	[no description available]	medium	3	0	diarylmethane
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	2	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	4	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	3	0	diarylmethane
modafinil	[no description available]	high	7	2	monocarboxylic acid amide; sulfoxide
modafinil	[no description available]	high	7	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	2	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	2	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
orphenadrine	[no description available]	medium	5	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	2	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxethazaine	[no description available]	medium	2	0	amino acid amide
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	2	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	4	0	aminobenzoic acid; phenols	antitubercular agent
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenoxybenzamine	[no description available]	medium	2	0	aromatic amine
pinacidil	[no description available]	medium	5	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
rofecoxib	[no description available]	medium	3	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	2	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	3	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	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
troglitazone	[no description available]	medium	4	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
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	2	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
phentolamine	[no description available]	medium	4	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	3	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
piperonyl butoxide	[no description available]	medium	2	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	2	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	4	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	3	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
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	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	3	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
aminopyrine	[no description available]	medium	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	2	0	benzoquinolizine; cyclic ketone; tertiary amino compound
uridine	[no description available]	medium	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	1	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	3	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	2	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	2	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
synephrine	[no description available]	medium	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	3	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	1	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
yohimbine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	4	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
aminophylline	[no description available]	medium	2	0	mixture	bronchodilator agent; cardiotonic drug
phenyramidol	[no description available]	medium	1	0	aminopyridine
nandrolone decanoate	[no description available]	medium	2	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
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	2	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	2	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	3	0	glycosylfructose	gastrointestinal drug; laxative
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
d-alpha tocopherol	[no description available]	medium	2	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	4	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	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
carbimazole	[no description available]	medium	2	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
oxyphenisatin	[no description available]	medium	2	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	2	0
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
pirprofen	[no description available]	medium	2	0	pyrroline
ticrynafen	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
benoxaprofen	[no description available]	medium	3	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
miglustat	[no description available]	medium	2	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
clopidogrel	[no description available]	medium	2	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
duloxetine	[no description available]	medium	4	0	duloxetine
adefovir dipivoxil	[no description available]	medium	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	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
efavirenz	[no description available]	medium	3	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	3	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	2	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	0	imidazoles
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	2	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	2	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	2	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ezetimibe	[no description available]	medium	2	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	3	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	2	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	2	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	2	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	2	0	1-benzofurans
noscapine	[no description available]	high	2	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
glucosamine	[no description available]	medium	2	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	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	2	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	1	0	organic molecular entity
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	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	1	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	3	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	26	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium bicarbonate	[no description available]	medium	26	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
prothionamide	[no description available]	medium	1	0	pyridines
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	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
toremifene	[no description available]	medium	4	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
orlistat	[no description available]	medium	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
dinoprostone	[no description available]	medium	3	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	3	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	2	0
mycophenolate mofetil	[no description available]	medium	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	2	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	2	0
natamycin	[no description available]	medium	2	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	2	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
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
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	1	0
furazolidone	[no description available]	medium	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	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
dextromethorphan	[no description available]	medium	5	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	2	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
dantrolene sodium	[no description available]	medium	1	0
roxithromycin	[no description available]	medium	3	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	2	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	2	0	organic molecular entity
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	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	4	0
tannins	[no description available]	medium	1	0	tannin
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
dicumarol	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
acenocoumarol	[no description available]	medium	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	2	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	4	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	3	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
succinic acid	[no description available]	medium	1	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
bendroflumethiazide	[no description available]	medium	4	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzamide	[no description available]	medium	2	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	3	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	3	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
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
doxylamine	[no description available]	medium	3	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
profenamine	[no description available]	medium	2	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	2	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	3	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
memantine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA 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	2	0	aromatic amine
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
pyranoprofen	[no description available]	medium	1	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	3	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
secobarbital	[no description available]	medium	2	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
ipodate	[no description available]	medium	1	0
succinylcholine	[no description available]	medium	2	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
tiaramide	[no description available]	medium	1	0	benzothiazoles
tilorone	[no description available]	medium	2	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
trifluperidol	[no description available]	medium	2	0	aromatic ketone
trimebutine	[no description available]	medium	2	0	trihydroxybenzoic acid
tripelennamine	[no description available]	medium	2	0	aromatic amine
delavirdine	[no description available]	medium	2	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
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
lysine	[no description available]	medium	2	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cysteamine	[no description available]	medium	3	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
leucine	[no description available]	medium	3	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gallamine triethiodide	[no description available]	medium	1	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
quinethazone	[no description available]	medium	1	0	quinazolines	antihypertensive agent; diuretic
tribromoethanol	[no description available]	medium	1	0	alcohol; organobromine compound
mepenzolate bromide	[no description available]	medium	2	0	diarylmethane
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	2	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	2	0	dithiocarbamic acids	chelator; copper chelator
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	2	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
prenylamine	[no description available]	medium	2	0	diarylmethane
nandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
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	2	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	2	0	organic cation	geroprotector; herbicide
clothiapine	[no description available]	medium	1	0	dibenzothiazepine
cephaloglycin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
noxiptilin	[no description available]	medium	2	0	organic tricyclic compound
metocurine	[no description available]	medium	1	0	isoquinolines
clomacran	[no description available]	medium	3	0	acridines
iprindole	[no description available]	medium	2	0	indoles
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	1	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
strychnine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
hetacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
medigoxin	[no description available]	medium	2	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	2	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	5	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
cloprednol	[no description available]	medium	1	0	21-hydroxy steroid
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
estropipate	[no description available]	medium	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
proscillaridin	[no description available]	medium	1	0	organic molecular entity
stilbamidine	[no description available]	medium	3	0
zimeldine	[no description available]	medium	4	0	styrenes
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
fosmidomycin	[no description available]	medium	1	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
gallopamil	[no description available]	medium	1	0	benzenes; organic amino compound
azosemide	[no description available]	medium	1	0	monochlorobenzenes; sulfonamide; tetrazoles; thiophenes	loop diuretic
oxatomide	[no description available]	medium	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
propiverine	[no description available]	medium	1	0	diarylmethane
saccharin	[no description available]	medium	2	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
sultopride	[no description available]	medium	1	0	salicylamides
trapidil	[no description available]	medium	2	0	triazolopyrimidines
chloroform	[no description available]	medium	4	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
cycloserine	[no description available]	medium	3	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
guanoxan	[no description available]	medium	1	0	benzodioxine
reproterol	[no description available]	medium	1	0	oxopurine
cromolyn sodium	[no description available]	medium	1	0	organic sodium salt	anti-asthmatic drug; drug allergen
carfecillin	[no description available]	medium	1	0	penicillin
piroximone	[no description available]	medium	1	0
5-propynylarabinofuranosyluracil	[no description available]	medium	1	0
tenidap	[no description available]	medium	1	0
mifobate	[no description available]	medium	1	0	trialkyl phosphate
pafenolol	[no description available]	medium	1	0
tolmesoxide	[no description available]	medium	1	0
phenglutarimide	[no description available]	medium	1	0	piperidines
ouabain	[no description available]	high	8	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
sorivudine	[no description available]	medium	1	0	organic molecular entity
acrivastine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
oxyfedrine	[no description available]	medium	1	0	aromatic ketone
atropine sulfate	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	2	0	organic sodium salt	geroprotector
sodium iothalamate	[no description available]	medium	2	0
sudoxicam	[no description available]	medium	1	0
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	18	0	indanes
aprindine	[no description available]	medium	18	1	indanes
bretylium	[no description available]	medium	7	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
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sterogenol	[no description available]	medium	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
cycloguanil	[no description available]	medium	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
benzohydroxamic acid	[no description available]	medium	1	0
pyrodifenium bromide	[no description available]	medium	1	0	organic molecular entity
amopyroquine	[no description available]	medium	1	0
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
dexchlorpheniramine	[no description available]	medium	2	0	chlorphenamine
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
salmeterol xinafoate	[no description available]	medium	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	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
rexigen	[no description available]	medium	1	0
aceclofenac	[no description available]	medium	2	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
flunarizine	[no description available]	medium	3	0	diarylmethane
artemotil	[no description available]	medium	1	0	artemisinin derivative
alsterpaullone	[no description available]	medium	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine	[no description available]	medium	1	0	harmala alkaloid
licochalcone a	[no description available]	medium	1	0	chalcones
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
chlorproguanil	[no description available]	medium	1	0	dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide	[no description available]	medium	1	0
artenimol	[no description available]	medium	1	0
4-phenoxyphenoxyethyl thiocyanate	[no description available]	medium	1	0
deoxoartemisinin	[no description available]	medium	1	0
butyrolactone i	[no description available]	medium	1	0	butenolide
thiolactomycin	[no description available]	medium	1	0
3,4,5-trihydroxybenzamidoxime	[no description available]	medium	1	0	benzenetriol
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
donepezil	[no description available]	medium	6	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
oxidopamine	[no description available]	medium	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
carbon tetrachloride	[no description available]	medium	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
hydrazine	[no description available]	medium	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
1-naphthylisothiocyanate	[no description available]	medium	1	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
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	2	0	aporphine alkaloid
berberine	[no description available]	medium	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
bisindolylmaleimide i	[no description available]	medium	1	0
clebopride	[no description available]	medium	1	0	piperidines
clofilium	[no description available]	medium	5	0	benzenes; organic amino compound
cocaine	[no description available]	medium	1	0
dilacor xr	[no description available]	medium	2	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
pilsicainide	[no description available]	medium	27	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
pilsicainide	[no description available]	medium	27	4	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
quetiapine	[no description available]	medium	3	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
brompheniramine	[no description available]	medium	3	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
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	2	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
ly 97241	[no description available]	medium	1	0
emd 60263	[no description available]	medium	1	0
dronedarone	[no description available]	high	13	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
desmethylolanzapine	[no description available]	medium	1	0	benzodiazepine
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acetarsol	[no description available]	medium	1	0	acetamides; anilide
ethacridine	[no description available]	medium	1	0	acridines
4-(acetylamino)benzeneacetic acid	[no description available]	medium	1	0	acetamides; anilide
adiphenine	[no description available]	medium	1	0	diarylmethane
aklomide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
amodiaquine	[no description available]	medium	2	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
amprolium	[no description available]	medium	1	0	pyridinium ion	coccidiostat
arecoline	[no description available]	medium	2	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
benserazide	[no description available]	medium	1	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzocaine	[no description available]	medium	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bethanechol	[no description available]	medium	2	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
seratrodast	[no description available]	medium	1	0	organic molecular entity
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
carbamylcholine	[no description available]	medium	1	0
aricine	[no description available]	medium	1	0	cinchona alkaloid
cloxyquin	[no description available]	medium	1	0	organochlorine compound; quinolines
cromolyn	[no description available]	medium	1	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
dibenzothiophene	[no description available]	medium	1	0	dibenzothiophenes; mancude organic heterotricyclic parent	keratolytic drug
dibucaine	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dimethadione	[no description available]	medium	1	0	oxazolidinone
diphenylpyraline	[no description available]	medium	1	0	piperidines; tertiary amine	cholinergic antagonist; H1-receptor antagonist
dyclonine	[no description available]	medium	2	0	aromatic ketone; piperidines	topical anaesthetic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ethotoin	[no description available]	medium	2	0	imidazolidine-2,4-dione	anticonvulsant
fenoldopam	[no description available]	medium	2	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
guaifenesin	[no description available]	medium	2	0	methoxybenzenes
hexoprenaline	[no description available]	medium	1	0
hexamethylene bisacetamide	[no description available]	medium	1	0	acetamides
hycanthone	[no description available]	medium	1	0	thioxanthenes	mutagen; schistosomicide drug
iodoquinol	[no description available]	medium	1	0	monohydroxyquinoline; organoiodine compound	antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug
isoetharine	[no description available]	medium	1	0	catecholamine
ly 171883	[no description available]	medium	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
mephenesin	[no description available]	medium	1	0	aromatic ether; glycerol ether
benzoic acid [2-methyl-2-(propylamino)propyl] ester	[no description available]	medium	1	0	benzoate ester
nadolol	[no description available]	medium	2	0	tetralins
nafronyl	[no description available]	medium	1	0	naphthalenes
naftopidil	[no description available]	medium	1	0	piperazines
naphazoline	[no description available]	medium	1	0	naphthalenes
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nitromide	[no description available]	medium	1	0
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
oxibendazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester
benoxinate	[no description available]	medium	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate	[no description available]	medium	1	0	pyrroloindole
pioglitazone	[no description available]	medium	3	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
duodote	[no description available]	medium	2	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
proadifen	[no description available]	medium	1	0	diarylmethane
pyrilamine	[no description available]	medium	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
roxarsone	[no description available]	medium	1	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
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
succinylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles
telenzepine	[no description available]	medium	1	0	benzodiazepine
tetrahydroxy-1,4-quinone	[no description available]	medium	1	0	hydroxybenzoquinone	keratolytic drug
2-thiosalicylic acid	[no description available]	medium	1	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
tolazoline	[no description available]	medium	1	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
trimeprazine	[no description available]	medium	2	0	phenothiazines
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
tropicamide	[no description available]	medium	1	0	acetamides
tulobuterol	[no description available]	medium	1	0	organochlorine compound
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
xylometazoline	[no description available]	medium	1	0	alkylbenzene
metaraminol	[no description available]	medium	1	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
ethopabate	[no description available]	medium	1	0	amidobenzoic acid
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
methoxamine	[no description available]	medium	2	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
desoxycorticosterone	[no description available]	medium	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
sulfachlorpyridazine	[no description available]	medium	1	0	organochlorine compound; pyridazines; sulfonamide	antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
phensuximide	[no description available]	medium	1	0	pyrrolidines
dimethisoquin	[no description available]	medium	1	0	isoquinolines
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
benzonatate	[no description available]	medium	2	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
chloroprocaine	[no description available]	medium	2	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
fluorometholone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
dimenhydrinate	[no description available]	medium	2	0	diarylmethane
4-(benzoylamino)-2-hydroxybenzoic acid	[no description available]	medium	1	0	benzamides
docosanol	[no description available]	medium	1	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
tetramethylpyrazine	[no description available]	medium	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
flurandrenolone	[no description available]	medium	1	0	21-hydroxy steroid
flumethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
(1S,2R)-tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
parbendazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
fenclozic acid	[no description available]	medium	2	0
capobenic acid	[no description available]	medium	1	0	benzamides
diftalone	[no description available]	medium	1	0
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
indalpine	[no description available]	medium	1	0	indoles
lidamidine	[no description available]	medium	1	0	ureas
talniflumate	[no description available]	medium	1	0	benzofurans
dazoxiben	[no description available]	medium	1	0
tolrestat	[no description available]	medium	2	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
alpidem	[no description available]	medium	2	0	imidazoles
dopexamine	[no description available]	medium	1	0	catecholamine
lonapalene	[no description available]	medium	1	0	naphthalenes; organochlorine compound
ipsapirone	[no description available]	medium	1	0	N-arylpiperazine
remacemide	[no description available]	medium	1	0	stilbenoid
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
fenclofenac	[no description available]	medium	1	0	aromatic ether
proxicromil	[no description available]	medium	1	0
torbafylline	[no description available]	medium	1	0
enrofloxacin	[no description available]	medium	1	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
mepindolol	[no description available]	medium	1	0	indoles
fpl 52791	[no description available]	medium	1	0
levcromakalim	[no description available]	medium	1	0	1-benzopyran
hexylcaine hydrochloride	[no description available]	medium	1	0
fpl 55712	[no description available]	medium	1	0	aromatic ketone
sivelestat	[no description available]	medium	1	0	N-acylglycine; pivalate ester
fpl-52694	[no description available]	medium	1	0
ramatroban	[no description available]	medium	1	0	organic molecular entity
xaliproden	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
n-isobutyrylcysteine	[no description available]	medium	1	0
dexpanthenol	[no description available]	medium	2	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
quilostigmine	[no description available]	medium	1	0	pyrroloindole
imiloxan	[no description available]	medium	1	0	benzodioxine
aspartame	[no description available]	medium	2	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
tempol	[no description available]	medium	1	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
vatalanib	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
hyoscyamine	[no description available]	medium	1	0	tropane alkaloid
lactitol	[no description available]	medium	1	0	glycosyl alditol	cathartic; excipient; laxative
fpl 52757	[no description available]	medium	1	0
fpl 59257	[no description available]	medium	1	0
erlotinib	[no description available]	medium	3	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
zeneca zd 6169	[no description available]	medium	1	0
sibenadet	[no description available]	medium	1	0
latrepirdine	[no description available]	medium	1	0	methylpyridines; pyridoindole	geroprotector
ramelteon	[no description available]	medium	2	0	indanes
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
cortisone	[no description available]	medium	1	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
salicin	[no description available]	medium	1	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
(S)-bicalutamide	[no description available]	medium	1	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
halcinonide	[no description available]	medium	1	0	organic molecular entity	SMO receptor agonist
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
methylthiouracil	[no description available]	medium	1	0	pyrimidone
crotamiton	[no description available]	medium	1	0
scopolamine	[no description available]	medium	1	0	3-hydroxy carboxylic acid
ranitidine	[no description available]	medium	3	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
almokalant	[no description available]	medium	2	0
vx-745	[no description available]	medium	1	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
deracoxib	[no description available]	medium	1	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
2-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine
rs-130830	[no description available]	medium	1	0
vitamin k semiquinone radical	[no description available]	medium	1	0
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
homatropine	[no description available]	medium	1	0	tropane alkaloid
ar c67085mx	[no description available]	medium	1	0
desoximetasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
sb 223412	[no description available]	medium	1	0
su 11248	[no description available]	medium	3	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
tiotropium	[no description available]	medium	1	0
nw 1029	[no description available]	medium	1	0
ici d1542	[no description available]	medium	1	0
gavestinel	[no description available]	medium	1	0
tipredane	[no description available]	medium	1	0	3-hydroxy steroid	androgen
bentiromide	[no description available]	medium	1	0	dipeptide	diagnostic agent; indicator; reagent
gemifloxacin	[no description available]	medium	2	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
utibapril	[no description available]	medium	1	0
zd 9379	[no description available]	medium	1	0
ly 450139	[no description available]	medium	1	0	peptide
cangrelor	[no description available]	medium	1	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
sch 527123	[no description available]	medium	1	0
linaprazan	[no description available]	medium	1	0
lecozotan	[no description available]	medium	1	0
ar c155858	[no description available]	medium	1	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one	[no description available]	medium	1	0	methoxybenzenes; substituted aniline
azd 7545	[no description available]	medium	1	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
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cytomel	[no description available]	medium	1	0	organic sodium salt
a 967079	[no description available]	medium	1	0
pht 427	[no description available]	medium	1	0
carbadox	[no description available]	medium	1	0	quinoxaline derivative
fenobam	[no description available]	medium	1	0	ureas
benzydamine	[no description available]	medium	2	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
olmesartan	[no description available]	medium	1	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
7-hydroxychlorpromazine	[no description available]	medium	1	0	phenothiazines
ranolazine	[no description available]	high	12	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
4-hydroxypropranolol	[no description available]	medium	1	0	naphthols
n-monodemethyldiltiazem	[no description available]	medium	1	0	benzothiazepine
tadalafil	[no description available]	medium	2	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
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
pagoclone	[no description available]	medium	1	0
tibolone	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	bone density conservation agent; hormone agonist
indacaterol	[no description available]	medium	1	0	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
ticagrelor	[no description available]	medium	1	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
apixaban	[no description available]	medium	3	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide	[no description available]	medium	1	0	stilbenoid
apremilast	[no description available]	medium	1	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
incb-018424	[no description available]	medium	1	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
(S)-warfarin	[no description available]	medium	1	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
cilostazol	[no description available]	medium	2	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
telbivudine	[no description available]	medium	2	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
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
gamma-aminobutyric acid	[no description available]	medium	1	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	1	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	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
propionic acid	[no description available]	medium	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridoxamine	[no description available]	medium	1	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
trimethylamine	[no description available]	medium	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
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	1	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
carbidopa	[no description available]	medium	1	0	benzenes; monocarboxylic acid
fendiline	[no description available]	medium	1	0	diarylmethane
flumequine	[no description available]	medium	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
fluspirilene	[no description available]	medium	1	0	diarylmethane
mephentermine	[no description available]	medium	1	0	amphetamines
methoxyphenamine	[no description available]	medium	1	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
periciazine	[no description available]	medium	1	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
aspartic acid	[no description available]	medium	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
tyrosine	[no description available]	medium	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	2	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	1	0	tertiary amine
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
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
ibuprofen, (r)-isomer	[no description available]	medium	1	0	ibuprofen
deramciclane	[no description available]	medium	1	0
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
cefdinir	[no description available]	medium	2	0	cephalosporin; ketoxime	antibacterial drug
phenylalanylphenylalanine	[no description available]	medium	1	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
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
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
secbutabarbital	[no description available]	medium	1	0	barbiturates
candesartan	[no description available]	medium	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
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
guanidine	[no description available]	medium	1	0	carboxamidine; guanidines; one-carbon compound
isocarboxazid	[no description available]	medium	1	0	benzenes
mecamylamine	[no description available]	medium	1	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
propantheline	[no description available]	medium	1	0	xanthenes
ropinirole	[no description available]	medium	1	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
trihexyphenidyl	[no description available]	medium	1	0	amine
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
zonisamide	[no description available]	medium	1	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
cysteine	[no description available]	medium	1	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
edetic acid	[no description available]	medium	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
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
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
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
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
vecuronium	[no description available]	medium	1	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
exifone	[no description available]	medium	1	0	benzophenones
mefloquine	[no description available]	medium	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
nitazoxanide	[no description available]	medium	1	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
fialuridine	[no description available]	medium	1	0
haloperidol decanoate	[no description available]	medium	1	0	organic molecular entity
balsalazide	[no description available]	medium	1	0
aromasil	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
emtricitabine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
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
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
oseltamivir	[no description available]	medium	1	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
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
tilbroquinol	[no description available]	medium	1	0	organohalogen compound; quinolines
ebrotidine	[no description available]	medium	1	0	sulfonamide
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine	[no description available]	medium	1	0	aminopyrimidine
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
nitrefazole	[no description available]	medium	1	0	imidazoles
doripenem	[no description available]	medium	1	0	carbapenems
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
fulvestrant	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
pramipexole	[no description available]	medium	1	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
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
fosamprenavir	[no description available]	medium	1	0	sulfonamide	prodrug
febuxostat	[no description available]	medium	1	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
escitalopram	[no description available]	medium	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
10-propargyl-10-deazaaminopterin	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
cox 189	[no description available]	medium	1	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
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
varenicline	[no description available]	medium	1	0
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
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
regadenoson	[no description available]	medium	1	0	purine nucleoside
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	medium	1	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
clindamycin phosphate	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
octreotide	[no description available]	medium	1	0
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
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
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
pyrantel	[no description available]	medium	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
eszopiclone	[no description available]	medium	1	0	zopiclone	central nervous system depressant; sedative
aplaviroc	[no description available]	medium	1	0
maraviroc	[no description available]	medium	1	0	tropane alkaloid
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
fospropofol	[no description available]	medium	1	0	alkylbenzene
rasagiline	[no description available]	medium	1	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
vitamin d 2	[no description available]	medium	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
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
levorphanol	[no description available]	medium	1	0	morphinane alkaloid
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
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
aliskiren	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
etonogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin
dutasteride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
bibx 1382bs	[no description available]	medium	1	0	substituted aniline
fesoterodine	[no description available]	medium	1	0	diarylmethane
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
sincalide	[no description available]	medium	1	0	oligopeptide
tapentadol	[no description available]	medium	1	0	alkylbenzene
cefditoren	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
pazopanib	[no description available]	medium	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride	[no description available]	medium	1	0
bms 477118	[no description available]	medium	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
milnacipran	[no description available]	medium	1	0	acetamides
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide	[no description available]	medium	1	0
ganirelix	[no description available]	medium	1	0	polypeptide
teriparatide	[no description available]	medium	1	0	polypeptide
salmon calcitonin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide	[no description available]	medium	1	0	polypeptide
exenatide	[no description available]	medium	1	0
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
tipranavir	[no description available]	medium	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
fertinex	[no description available]	medium	1	0
citrovorum factor	[no description available]	medium	1	0	tetrahydrofolic acid
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
pemetrexed	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir	[no description available]	medium	1	0	L-valyl ester; purines	antiviral drug; prodrug
fosaprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug
levomefolate calcium	[no description available]	medium	1	0	organic calcium salt	antidepressant
ryanodine	[no description available]	medium	2	0
ajmaline	[no description available]	medium	20	1
tetrodotoxin	[no description available]	medium	7	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
dabigatran	[no description available]	medium	1	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
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
vernakalant	[no description available]	medium	17	0	alcohol; phenols
natriuretic peptide, brain	[no description available]	medium	2	2	polypeptide
sofosbuvir	[no description available]	medium	1	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
ledipasvir	[no description available]	medium	1	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
ivabradine	[no description available]	medium	2	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug
cardiovascular agents	[no description available]	medium	4	0
gw 799388	[no description available]	medium	1	0
transforming growth factor beta	[no description available]	medium	1	0
fluorodeoxyglucose f18	[no description available]	medium	3	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
carbamates	[no description available]	medium	1	1	amino-acid anion
ficusin	[no description available]	medium	1	0	psoralens	plant metabolite
zinc sulfate	[no description available]	medium	2	0	metal sulfate; zinc molecular entity	fertilizer
methanol	[no description available]	medium	2	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
alanine	[no description available]	medium	1	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
safinamide	[no description available]	medium	1	0	amino acid amide
sulcardine sulfate	[no description available]	medium	1	0
lubeluzole	[no description available]	medium	1	0	benzothiazoles
piperidines	[no description available]	medium	219	20
thiazoles	[no description available]	medium	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
quinuclidines	[no description available]	medium	1	0	quinuclidines; saturated organic heterobicyclic parent
azd9164	[no description available]	medium	1	0
quetiapine fumarate	[no description available]	medium	1	0	fumarate salt
18-crown-6 2,3,11,12-tetracarboxylic acid	[no description available]	medium	1	0
ns 3623	[no description available]	medium	1	0
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
cysteine	[no description available]	medium	1	0	cysteinium	fundamental metabolite
veratridine	[no description available]	medium	5	0
k201 compound	[no description available]	medium	1	0
beta-escin	[no description available]	medium	1	0
3-hydroxybutyric acid	[no description available]	medium	1	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
trifluoroacetaldehyde	[no description available]	medium	1	0
2,4-dinitrophenylhydrazine	[no description available]	medium	1	0	C-nitro compound; phenylhydrazines	reagent
acetaldehyde	[no description available]	medium	1	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
toxin ii (anemonia sulcata)	[no description available]	medium	1	0
triazoles	[no description available]	medium	1	0	1,2,3-triazole
gs-458967	[no description available]	medium	1	0
agitoxin 2	[no description available]	medium	1	0
2,2'-(hydroxynitrosohydrazono)bis-ethanamine	[no description available]	medium	1	0
pirmenol	[no description available]	medium	8	0	racemate
valine	[no description available]	medium	2	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
benzofurans	[no description available]	medium	6	1
2-amino-5-phosphonovalerate	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
cadmium	[no description available]	medium	1	0	cadmium molecular entity; zinc group element atom
hydroquinidine	[no description available]	medium	4	1	cinchona alkaloid
hmr 1556	[no description available]	medium	1	0
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
quinidine bisulfate	[no description available]	medium	1	0
tolterodine tartrate	[no description available]	medium	1	0	tartrate salt
isoleucine	[no description available]	medium	1	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
tert-butylhydroperoxide	[no description available]	medium	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
triethylammonium cation	[no description available]	medium	1	0	ammonium ion derivative
barium	[no description available]	medium	2	0	alkaline earth metal atom; elemental barium
cromakalim	[no description available]	medium	3	0
chlorine	[no description available]	medium	2	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human 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
n-(3,4-dimethoxyphenyl)-n-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitrobenzamide hydrochloride	[no description available]	medium	2	0	organic molecular entity
barium chloride	[no description available]	medium	1	0	barium salt; inorganic chloride	potassium channel blocker
tetradecanoylphorbol acetate	[no description available]	medium	2	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
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
atrial natriuretic factor	[no description available]	medium	1	1	polypeptide
ammonium chloride	[no description available]	medium	3	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
hydrogen carbonate	[no description available]	medium	4	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
noxiustoxin	[no description available]	medium	1	0
charybdotoxin	[no description available]	medium	1	0
kaliotoxin	[no description available]	medium	1	0
phosphotyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	1	0	tripeptide
desethylamiodarone	[no description available]	medium	1	0	aromatic ketone
adenosine diphosphate	[no description available]	medium	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
sesamodil	[no description available]	medium	2	0
carsatrin	[no description available]	medium	1	0
dpi 201-106	[no description available]	medium	1	0	diarylmethane
bdf 9148	[no description available]	medium	1	0
choline	[no description available]	medium	2	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
batrachotoxinin a 20-alpha-benzoate	[no description available]	medium	1	0
aconitine	[no description available]	medium	3	0
bidisomide	[no description available]	medium	2	0	acetamides
rs 2135	[no description available]	medium	2	0
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
benzene	[no description available]	medium	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
1-(3-sulfonatopropyl)-4-(beta)(2-(di-n-butylamino)-6-naphthylvinyl)pyridinium betaine	[no description available]	medium	1	0
fibrinopeptide a	[no description available]	medium	1	0
restacorin	[no description available]	medium	2	0
a 2545	[no description available]	medium	1	0
calcium gluconate	[no description available]	medium	1	0	calcium salt	nutraceutical
rac 109	[no description available]	medium	1	0
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
ambasilide	[no description available]	medium	1	0
lifarizine	[no description available]	medium	1	0	diarylmethane
nifekalant hydrochloride	[no description available]	medium	1	0	amine
pyrimidinones	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	3	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
2,4-dinitrophenol	[no description available]	medium	1	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
propisomide	[no description available]	medium	3	0
org 7797	[no description available]	medium	3	0
chloralose	[no description available]	medium	1	0
fluorides	[no description available]	medium	1	0	halide anion; monoatomic fluorine
sodium carbonate	[no description available]	medium	1	0	carbonate salt; organic sodium salt
carbonates	[no description available]	medium	1	0	carbon oxoanion
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
prajmaline	[no description available]	medium	3	1
ethacizine	[no description available]	medium	3	0	phenothiazines
o-demethylencainide	[no description available]	medium	1	0
3-methoxy-o-demethylencainide	[no description available]	medium	1	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
humulene	[no description available]	medium	1	0	alpha-humulene
apnea	[no description available]	medium	1	0	purine nucleoside
fomesafen	[no description available]	medium	1	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
eye	[no description available]	medium	1	0
ethylisopropylamiloride	[no description available]	medium	0	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
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
moricizine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-arrhythmia drug
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
flecainide acetate	[no description available]	low	0	0	acetate salt	anti-arrhythmia drug
d 888	[no description available]	medium	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
acetylstrophanthidin	[no description available]	low	0	0	acetate ester	anti-arrhythmia drug
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
indoleacetamide	[no description available]	low	0	0	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formamide	[no description available]	low	0	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pk 11195	[no description available]	low	0	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
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
acetochlor	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
alachlor	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
ampiroxicam	[no description available]	low	0	0	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
carcinine	[no description available]	low	0	0	beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound	antioxidant; crustacean metabolite
dacarbazine	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
dimethoate	[no description available]	low	0	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
qx-314	[no description available]	low	0	0	monocarboxylic acid amide	local anaesthetic
pipamperone	[no description available]	low	0	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
propachlor	[no description available]	low	0	0	anilide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
carbamylhydrazine	[no description available]	low	0	0	carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas
propionamide	[no description available]	low	0	0	monocarboxylic acid amide; primary fatty amide
n-methylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	metabolite
2-phenylacetamide	[no description available]	low	0	0	monocarboxylic acid amide	mouse metabolite
6-aminonicotinamide	[no description available]	low	0	0	aminopyridine; monocarboxylic acid amide; primary amino compound	antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent
aminoimidazole carboxamide	[no description available]	low	0	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
valeramide	[no description available]	low	0	0	monocarboxylic acid amide
devrinol	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; naphthalenes
dimethylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	human metabolite
n-methyl-n-(trimethylsilyl)trifluoroacetamide	[no description available]	low	0	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
closantel	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
3-methylfentanyl	[no description available]	low	0	0	monocarboxylic acid amide; piperidines	mu-opioid receptor agonist; opioid analgesic; sedative
4-fluorofentanyl	[no description available]	low	0	0	monocarboxylic acid amide; organofluorine compound; piperidines
1,2,4-triazole-3-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; primary carboxamide; triazoles	drug metabolite; human urinary metabolite
aloxistatin	[no description available]	low	0	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
mandelamide	[no description available]	low	0	0	benzyl alcohols; monocarboxylic acid amide; secondary alcohol
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent
biocytin	[no description available]	low	0	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
biotinamide	[no description available]	low	0	0	biotins; monocarboxylic acid amide	human metabolite
lactamide	[no description available]	low	0	0	monocarboxylic acid amide; secondary alcohol
ribavirin 5'-diphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose monophosphate	antiviral agent; drug metabolite; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; human blood serum metabolite
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
u 69593	[no description available]	low	0	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
phenazine-1-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; phenazines
ribavirin 5'-triphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose triphosphate	antiviral agent; drug metabolite; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; eukaryotic initiation factor 4F inhibitor; human blood serum metabolite
4-carbamoylimidazolium 5-olate	[no description available]	low	0	0	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent
ribavirin 5'-diphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose diphosphate	antiviral agent; drug metabolite
cercosporamide	[no description available]	low	0	0	dibenzofurans; methyl ketone; monocarboxylic acid amide; polyphenol	antifungal agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite; phytotoxin
cyclazosin	[no description available]	low	0	0	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
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
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	[no description available]	low	0	0	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor
norfentanyl	[no description available]	low	0	0	anilide; monocarboxylic acid amide; piperidines	drug metabolite; opioid analgesic
rocaglamide	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
taurolithocholic acid	[no description available]	low	0	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
ochratoxin a	[no description available]	low	0	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
ergonovine	[no description available]	low	0	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
adenosine-5'-(n-ethylcarboxamide)	[no description available]	low	0	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
glucuronamide	[no description available]	low	0	0	monocarboxylic acid amide; monosaccharide derivative
n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide	[no description available]	low	0	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide	[no description available]	low	0	0	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
u-50488	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
N-octylhomovanillamide	[no description available]	low	0	0	guaiacols; monocarboxylic acid amide	protective agent
adenosine-5'-(N-propyl)carboxamide	[no description available]	low	0	0	adenosines; monocarboxylic acid amide
ex 527	[no description available]	low	0	0	carbazoles; monocarboxylic acid amide; organochlorine compound
cerulenin	[no description available]	low	0	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
fortimicin a	[no description available]	low	0	0	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite
bimatoprost	[no description available]	low	0	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
ag-490	[no description available]	low	0	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
monocrotophos	[no description available]	low	0	0	alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide	acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
l 685458	[no description available]	low	0	0	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic
su 1498	[no description available]	low	0	0	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	low	0	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
ekb 569	[no description available]	low	0	0	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor
netupitant	[no description available]	low	0	0	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes
platensimycin	[no description available]	low	0	0	aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
vilazodone	[no description available]	low	0	0	1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile	antidepressant; serotonergic agonist; serotonin uptake inhibitor
n-demethylloperamide	[no description available]	low	0	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	drug metabolite
lenvatinib	[no description available]	low	0	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
avibactam	[no description available]	low	0	0	azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
mirabegron	[no description available]	low	0	0	1,3-thiazoles; aromatic amide; ethanolamines; monocarboxylic acid amide	beta-adrenergic agonist
avanafil	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
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
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine	[no description available]	low	0	0	adenosines; monocarboxylic acid amide; organoiodine compound
ly-2157299	[no description available]	low	0	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
SIS3 free base	[no description available]	low	0	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor
bl1521	[no description available]	low	0	0	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
tasimelteon	[no description available]	low	0	0	1-benzofurans; cyclopropanes; monocarboxylic acid amide	melatonin receptor agonist
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
fr 901464	[no description available]	low	0	0	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite
mandipropamid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound
bay 60-6583	[no description available]	low	0	0	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent
vx-770	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
platencin	[no description available]	low	0	0	aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
tenovin-6	[no description available]	low	0	0	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
bacillaene	[no description available]	low	0	0	enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol	antibacterial agent; antimicrobial agent; bacterial metabolite
cobicistat	[no description available]	low	0	0	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor
fluazaindolizine	[no description available]	low	0	0	aromatic amide; imidazopyridine; monocarboxylic acid amide; monochlorobenzenes; monomethoxybenzene; N-sulfonylcarboxamide; organofluorine pesticide	agrochemical; nematicide
crambescidin 800	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
streptolydigin	[no description available]	low	0	0	bridged compound; cyclic ketal; enol; monocarboxylic acid amide; N-glycosyl compound; organic heterobicyclic compound; pyrrolidinone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
gsk1265744	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
dolutegravir	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene
HG-10-102-01	[no description available]	low	0	0	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bictegravir	[no description available]	low	0	0	monocarboxylic acid amide; organic heterotetracyclic compound; secondary carboxamide; trifluorobenzene	HIV-1 integrase inhibitor
ver 52296	[no description available]	low	0	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
cycrimine	[no description available]	low	0	0	piperidines; tertiary alcohol; tertiary amino compound	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
eperisone	[no description available]	low	0	0	aromatic ketone; piperidines
ethyl piperidinoacetylaminobenzoate	[no description available]	low	0	0	benzoate ester; piperidines
mazaticol	[no description available]	low	0	0	piperidines
methixene	[no description available]	low	0	0	piperidines; thioxanthenes	antiparkinson drug; histamine antagonist; muscarinic antagonist
pridinol	[no description available]	low	0	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
ritanserin	[no description available]	low	0	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
roxatidine acetate	[no description available]	low	0	0	piperidines
sb 220025	[no description available]	low	0	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
tipepidine	[no description available]	low	0	0	piperidines
diphemanil methylsulfate	[no description available]	low	0	0	piperidines; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist; parasympatholytic
pempidine	[no description available]	low	0	0	piperidines
2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester	[no description available]	low	0	0	piperidines
2-methylpiperidine	[no description available]	low	0	0	piperidines
jervine	[no description available]	low	0	0	piperidines
phenoperidine	[no description available]	low	0	0	piperidines
benzetimide	[no description available]	low	0	0	piperidines
piminodine	[no description available]	low	0	0	piperidines
dexetimide	[no description available]	low	0	0	piperidines
4-(4-chlorophenyl)-4-hydroxypiperidine	[no description available]	low	0	0	piperidines
preclamol	[no description available]	low	0	0	piperidines
loxtidine	[no description available]	low	0	0	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist
tzu 0460	[no description available]	low	0	0	piperidines
eliprodil	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
carfentanil	[no description available]	low	0	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug
f 7302	[no description available]	low	0	0	piperidines
tenocyclidine	[no description available]	low	0	0	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist
spiramide	[no description available]	low	0	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
sufotidine	[no description available]	low	0	0	piperidines
fagomine	[no description available]	low	0	0	piperidines
1-(4-nitrophenyl)piperidine	[no description available]	low	0	0	piperidines
fentanyl isothiocyanate	[no description available]	low	0	0	piperidines
ritalinic acid	[no description available]	low	0	0	monocarboxylic acid; piperidines	drug metabolite; marine xenobiotic metabolite
fenpropidine	[no description available]	low	0	0	piperidines; tertiary amine
sk&f 95282	[no description available]	low	0	0	piperidines
biperiden hydrochloride	[no description available]	low	0	0	hydrochloride; piperidines; tertiary alcohol	antiparkinson drug; muscarinic antagonist; parasympatholytic
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol	[no description available]	low	0	0	piperidines
gr 113808	[no description available]	low	0	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
alphaprodine	[no description available]	low	0	0	piperidines
lofentanil	[no description available]	low	0	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine	[no description available]	low	0	0	1-benzothiophenes; piperidines; tertiary amino compound	dopamine uptake inhibitor
picaridin	[no description available]	low	0	0	carboxylic acid; piperidines
5-(4-piperidyl)isoxazol-3-ol	[no description available]	low	0	0	piperidines
ku 1257	[no description available]	low	0	0	piperidines
l 733060	[no description available]	low	0	0	piperidines
n-(n-benzylpiperidin-4-yl)-4-iodobenzamide	[no description available]	low	0	0	piperidines
l 741626	[no description available]	low	0	0	piperidines
aminopotentidine	[no description available]	low	0	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist
migalastat	[no description available]	low	0	0	piperidines
zanapezil	[no description available]	low	0	0	piperidines
anacoline iodide	[no description available]	low	0	0	dioxolane; piperidines
magellanine	[no description available]	low	0	0	piperidines
tecomine	[no description available]	low	0	0	piperidines
isofagomine	[no description available]	low	0	0	piperidines
efinaconazole	[no description available]	low	0	0	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	piperidines
N-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinecarboxamide	[no description available]	low	0	0	piperidines
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide	[no description available]	low	0	0	piperidines
4-methyl-N-[3-[1-(phenylmethyl)-4-piperidinyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide	[no description available]	low	0	0	piperidines
4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamide	[no description available]	low	0	0	piperidines
N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	piperidines
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid	[no description available]	low	0	0	carboxylic acid; piperidines
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide	[no description available]	low	0	0	acetamides; piperidines; pyridines; sulfonamide
vesamicol	[no description available]	low	0	0	piperidines
1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
4-Piperidinobenzoic acid	[no description available]	low	0	0	piperidines
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	piperidines; quinazolines; tertiary amino compound; toluenes
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide	[no description available]	low	0	0	piperidines
2-(phenylmethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile	[no description available]	low	0	0	piperidines
1-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbohydrazide	[no description available]	low	0	0	piperidines
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid	[no description available]	low	0	0	piperidines
3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione	[no description available]	low	0	0	piperidines
1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea	[no description available]	low	0	0	piperidines
4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine	[no description available]	low	0	0	piperidines; thienopyrimidine
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester	[no description available]	low	0	0	piperidines
1-[1-(phenylmethyl)-4-piperidinyl]-3-(2-propan-2-ylphenyl)thiourea	[no description available]	low	0	0	piperidines
1-(4-ethylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea	[no description available]	low	0	0	piperidines
tempo	[no description available]	low	0	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl	[no description available]	low	0	0	aminoxyls; dicarboximide; maleimides; piperidines	radical scavenger; spin label
N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide	[no description available]	low	0	0	piperidines
N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide	[no description available]	low	0	0	piperidines
3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione	[no description available]	low	0	0	piperidines
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine	[no description available]	low	0	0	piperidines
4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	piperidines
2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one	[no description available]	low	0	0	piperidines
5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine	[no description available]	low	0	0	piperidines; thienopyrimidine
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(4-fluorophenyl)urea	[no description available]	low	0	0	piperidines
[4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone	[no description available]	low	0	0	piperidines
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester	[no description available]	low	0	0	piperidines
1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid	[no description available]	low	0	0	carboxylic acid; piperidines
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide	[no description available]	low	0	0	piperidines
1-(2-fluorophenyl)-3-[2-(1-piperidinyl)phenyl]urea	[no description available]	low	0	0	piperidines
4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester	[no description available]	low	0	0	piperidines
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide	[no description available]	low	0	0	piperidines
3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine	[no description available]	low	0	0	piperidines
1-(3-chlorophenyl)-3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]methyl]urea	[no description available]	low	0	0	piperidines
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
femoxetine	[no description available]	low	0	0	piperidines
4-phenyl-1-(4-phenylbutyl)piperidine	[no description available]	low	0	0	piperidines
4-(1h-imidazol-4-ylmethyl)piperidine	[no description available]	low	0	0	piperidines
tandutinib	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]	[no description available]	low	0	0	piperidines
3,5-dimethyl-2,6-bis(4-methylphenyl)-4-piperidinone	[no description available]	low	0	0	piperidines
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)urea	[no description available]	low	0	0	piperidines
4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol	[no description available]	low	0	0	piperidines
1-(3-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea	[no description available]	low	0	0	piperidines
1-(2-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea	[no description available]	low	0	0	piperidines
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-piperidinecarboxamide	[no description available]	low	0	0	piperidines
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
1,4-dimethyl-6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]quinoxaline-2,3-dione	[no description available]	low	0	0	piperidines
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide	[no description available]	low	0	0	piperidines
4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester	[no description available]	low	0	0	piperidines
benzoic acid [[1-(4-nitrophenyl)-4-piperidinylidene]amino] ester	[no description available]	low	0	0	piperidines
1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	piperidines
1-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-3-(3-methylphenyl)urea	[no description available]	low	0	0	piperidines
1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester	[no description available]	low	0	0	carboxylic acid; piperidines
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanone	[no description available]	low	0	0	piperidines
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide	[no description available]	low	0	0	piperidines
2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone	[no description available]	low	0	0	piperidines
LY-310762	[no description available]	low	0	0	aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound	receptor modulator; serotonergic antagonist
5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester	[no description available]	low	0	0	piperidines
2-methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane	[no description available]	low	0	0	piperidines
N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide	[no description available]	low	0	0	piperidines
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide	[no description available]	low	0	0	piperidines
2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine	[no description available]	low	0	0	piperidines
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	[no description available]	low	0	0	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound
1-(4-carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester	[no description available]	low	0	0	piperidines
N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide	[no description available]	low	0	0	piperidines
5-[2-furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol	[no description available]	low	0	0	piperidines
5-nitro-6-(3-nitrophenyl)-2-piperidinone	[no description available]	low	0	0	piperidines
3-nitro-4-[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]benzenesulfonamide	[no description available]	low	0	0	piperidines
pibutidine	[no description available]	low	0	0	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide	[no description available]	low	0	0	piperidines
palbociclib	[no description available]	low	0	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
1-(2-chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea	[no description available]	low	0	0	piperidines
opc-67683	[no description available]	low	0	0	piperidines
ro 25-6981	[no description available]	low	0	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
pd 174494	[no description available]	low	0	0	piperidines
2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide	[no description available]	low	0	0	piperidines
bms201038	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzamides; fluorenes; piperidines	anticholesteremic drug; MTP inhibitor
casopitant	[no description available]	low	0	0	piperidines
pimavanserin	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
rolapitant	[no description available]	low	0	0	azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones	antiemetic; neurokinin-1 receptor antagonist
at 7867	[no description available]	low	0	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
at 7519	[no description available]	low	0	0	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
alogliptin	[no description available]	low	0	0	nitrile; piperidines; primary amino compound; pyrimidines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
azd 8931	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pf 00299804	[no description available]	low	0	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
dorsomorphin	[no description available]	low	0	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
6-o-desmethyl donepezil	[no description available]	low	0	0	piperidines
nvp-tae684	[no description available]	low	0	0	piperidines
[3-[(2-methylphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]methanol	[no description available]	low	0	0	piperidines
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-phenyl-1-piperidinyl)methyl]oxazole	[no description available]	low	0	0	piperidines
[3-[(3-chlorophenyl)methyl]-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]methanol	[no description available]	low	0	0	piperidines
2-[4-[1-(2-fluorophenyl)-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazinyl]ethanol	[no description available]	low	0	0	piperidines
[1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol	[no description available]	low	0	0	piperidines
[1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol	[no description available]	low	0	0	piperidines
1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	piperidines
3-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one	[no description available]	low	0	0	piperidines
1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea	[no description available]	low	0	0	piperidines
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea	[no description available]	low	0	0	piperidines
3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine	[no description available]	low	0	0	piperidines
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine	[no description available]	low	0	0	piperidines
gdc-0973	[no description available]	low	0	0	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk690693	[no description available]	low	0	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
WAY-316606	[no description available]	low	0	0	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide	[no description available]	low	0	0	piperidines
alcaftadine	[no description available]	low	0	0	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist
N-(2-methylpropyl)-4-(phenylmethyl)-1-piperidinecarbothioamide	[no description available]	low	0	0	piperidines
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide	[no description available]	low	0	0	piperidines
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide	[no description available]	low	0	0	piperidines
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid	[no description available]	low	0	0	carboxylic acid; piperidines
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide	[no description available]	low	0	0	piperidines
niraparib	[no description available]	low	0	0	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ipi-926	[no description available]	low	0	0	piperidines
asp3026	[no description available]	low	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
bix 01294	[no description available]	low	0	0	piperidines
pf 3845	[no description available]	low	0	0	piperidines
glasdegib	[no description available]	low	0	0	benzimidazoles; nitrile; phenylureas; piperidines	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol	[no description available]	low	0	0	piperidines
1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	piperidines
2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline	[no description available]	low	0	0	piperidines
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
Mps1-IN-2	[no description available]	low	0	0	piperidines
gilteritinib	[no description available]	low	0	0	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinib	[no description available]	low	0	0	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gsk2879552	[no description available]	low	0	0	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ldc4297	[no description available]	low	0	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
PF-06446846	[no description available]	low	0	0	benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine	antilipemic drug; EC 3.4.21.61 (kexin) inhibitor
benefin	[no description available]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
cgs 12066	[no description available]	low	0	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	low	0	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fludiazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound; organofluorine compound	anxiolytic drug
vanoxerine	[no description available]	low	0	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
sb 202190	[no description available]	low	0	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
fluoroacetic acid	[no description available]	low	0	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
tosufloxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound
zardaverine	[no description available]	low	0	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
dinitrofluorobenzene	[no description available]	low	0	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
1,1-difluoroethylene	[no description available]	low	0	0	olefinic compound; organofluorine compound
1,1,1-trifluoro-2-chloroethane	[no description available]	low	0	0	organofluorine compound
chloropentafluoroethane	[no description available]	low	0	0	organochlorine compound; organofluorine compound
2-fluoroadenosine	[no description available]	low	0	0	adenosines; organofluorine compound
perfluorotributylamine	[no description available]	low	0	0	organofluorine compound	blood substitute; greenhouse gas; solvent
5-fluorouridine	[no description available]	low	0	0	organofluorine compound; uridines	mutagen
5-fluorotryptophan	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative
bromochlorodifluoromethane	[no description available]	low	0	0	one-carbon compound; organobromine compound; organochlorine compound; organofluorine compound
difluoroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organofluorine compound
fluroxene	[no description available]	low	0	0	organofluorine compound
2,3,4,5,6-pentafluorobenzyl alcohol	[no description available]	low	0	0	benzyl alcohols; organofluorine compound
2-fluoroadenine	[no description available]	low	0	0	organofluorine compound; purines	antineoplastic agent
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide	[no description available]	low	0	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	antifungal agrochemical; genotoxin
hexafluoroisopropanol	[no description available]	low	0	0	organofluorine compound; secondary alcohol	drug metabolite
dichlofluanid	[no description available]	low	0	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical
5-fluorocytidine	[no description available]	low	0	0	cytidines; organofluorine compound
flubendazole	[no description available]	low	0	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
flunixin	[no description available]	low	0	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
triflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
haloxyfop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
fluazifop-butyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
temafloxacin	[no description available]	low	0	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
gemcitabine hydrochloride	[no description available]	low	0	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
heptafluorobutyric anhydride	[no description available]	low	0	0	acyclic carboxylic anhydride; organofluorine compound	chromatographic reagent
perfluorotripropylamine	[no description available]	low	0	0	organofluorine compound	blood substitute
3-fluoropyruvate	[no description available]	low	0	0	2-oxo monocarboxylic acid; organofluorine compound
flunoxaprofen	[no description available]	low	0	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
halopropane	[no description available]	low	0	0	organofluorine compound
flurithromycin	[no description available]	low	0	0	cyclic ketone; erythromycin derivative; organofluorine compound; semisynthetic derivative	antibacterial drug
fluphenacur	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
nucleocidin	[no description available]	low	0	0	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug
fluoroacetaldehyde	[no description available]	low	0	0	aldehyde; organofluorine compound	cardiotoxic agent
fc 75	[no description available]	low	0	0	alkyltetrahydrofuran; organofluorine compound
tetraconazole	[no description available]	low	0	0	dichlorobenzene; ether; organofluorine compound; triazoles
hei 712	[no description available]	low	0	0	organofluorine compound; quinolone
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide	[no description available]	low	0	0	dichlorobenzene; organofluorine compound; sulfonamide; triazoles	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
thifluzamide	[no description available]	low	0	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fludioxonil	[no description available]	low	0	0	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
fluquinconazole	[no description available]	low	0	0	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
cloransulam-methyl	[no description available]	low	0	0	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
fluazifop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
dithiopyr	[no description available]	low	0	0	organofluorine compound; pyridines; thioester
s 53482	[no description available]	low	0	0	benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent
clodinafop-propargyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
novaluron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
cyfluthrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	[no description available]	low	0	0	organofluorine compound
florfenicol	[no description available]	low	0	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
5-fluoromethylornithine	[no description available]	low	0	0	organofluorine compound; ornithine derivative	EC 2.6.1.13 (ornithine aminotransferase) inhibitor
nitroflurbiprofen	[no description available]	low	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
ezogabine	[no description available]	low	0	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
garenoxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
5-fluorowillardiine	[no description available]	low	0	0	L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound	AMPA receptor agonist
perfluoro-n-methyldecahydroisoquinoline	[no description available]	low	0	0	organofluorine compound	blood substitute
fc 80	[no description available]	low	0	0	alkyltetrahydrofuran; organofluorine compound
5-fluorouridine 5'-phosphate	[no description available]	low	0	0	organofluorine compound; pyrimidine ribonucleoside 5'-monophosphate	drug metabolite
canertinib	[no description available]	low	0	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
jte 522	[no description available]	low	0	0	1,3-oxazoles; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor
trifluoromethionine	[no description available]	low	0	0	L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound
cimicoxib	[no description available]	low	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
diflomotecan	[no description available]	low	0	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
5',5',5'-trifluoroleucine	[no description available]	low	0	0	leucine derivative; non-proteinogenic alpha-amino acid; organofluorine compound
sorbinil	[no description available]	low	0	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
2'-deoxy-2-fluoroadenosine	[no description available]	low	0	0	adenosines; organofluorine compound
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
roflumilast	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
favipiravir	[no description available]	low	0	0	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
ck-0944666	[no description available]	low	0	0	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one	[no description available]	low	0	0	organofluorine compound
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid	[no description available]	low	0	0	organofluorine compound
transfluthrin	[no description available]	low	0	0	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide
4-(4-fluorophenyl)-3H-thiazole-2-thione	[no description available]	low	0	0	organofluorine compound
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole	[no description available]	low	0	0	organofluorine compound
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide	[no description available]	low	0	0	organofluorine compound
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea	[no description available]	low	0	0	organofluorine compound
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone	[no description available]	low	0	0	organofluorine compound
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester	[no description available]	low	0	0	organofluorine compound
N-(4-fluorobenzyl)urea	[no description available]	low	0	0	organofluorine compound
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide	[no description available]	low	0	0	organofluorine compound
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	[no description available]	low	0	0	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate	[no description available]	low	0	0	acetylenic compound; furans; organofluorine compound; thioester; triazoles
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	organofluorine compound
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester	[no description available]	low	0	0	organofluorine compound
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide	[no description available]	low	0	0	organofluorine compound
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester	[no description available]	low	0	0	organofluorine compound
sc 560	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
1-[(2-fluorophenyl)methyl]-4-pyrazolamine	[no description available]	low	0	0	organofluorine compound
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea	[no description available]	low	0	0	organofluorine compound
ro 60-0175	[no description available]	low	0	0	indoles; organochlorine compound; organofluorine compound; primary amino compound
jtk-303	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
arachidonyltrifluoromethane	[no description available]	low	0	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
cyhalothrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
sulindac sulfide	[no description available]	low	0	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
bw b70c	[no description available]	low	0	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
clodinafop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	[no description available]	low	0	0	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
z-val-ala-asp(ome)-fluoromethylketone	[no description available]	low	0	0	carbamate ester; organofluorine compound; tripeptide	apoptosis inhibitor; protease inhibitor
robenacoxib	[no description available]	low	0	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
acrinathrin	[no description available]	low	0	0	cyclopropanecarboxylate ester; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
bifenthrin	[no description available]	low	0	0	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
flibanserin	[no description available]	low	0	0	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
nepicastat	[no description available]	low	0	0	1,3-dihydroimidazole-2-thiones; organofluorine compound; primary amino compound; tetralins	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor
gw 501516	[no description available]	low	0	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
noviflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound
flonicamid	[no description available]	low	0	0	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
paliperidone palmitate	[no description available]	low	0	0	1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine
tafluprost	[no description available]	low	0	0	isopropyl ester; organofluorine compound; prostaglandins Falpha	prostaglandin receptor agonist
am 694	[no description available]	low	0	0	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist
rucaparib	[no description available]	low	0	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
NNC 55-0396 (free base)	[no description available]	low	0	0	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
osu 03012	[no description available]	low	0	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
vorapaxar	[no description available]	low	0	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
r-138727	[no description available]	low	0	0	organofluorine compound
fluoxastrobin	[no description available]	low	0	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
flumorph	[no description available]	low	0	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide
fluopicolide	[no description available]	low	0	0	benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound	antifungal agrochemical
gamendazole	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound	antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive
tedizolid	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor
rx-3117	[no description available]	low	0	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
picoxystrobin	[no description available]	low	0	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
bay 63-2521	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator
penthiopyrad	[no description available]	low	0	0	aromatic amide; organofluorine compound; pyrazoles; thiophenes
tedizolid phosphate	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor
tavaborole	[no description available]	low	0	0	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib	[no description available]	low	0	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zstk474	[no description available]	low	0	0	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trifloxystrobin	[no description available]	low	0	0	methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; organofluorine compound; pyrazoles
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly
trametinib	[no description available]	low	0	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
butafenacil	[no description available]	low	0	0	benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
bgt226	[no description available]	low	0	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
buparlisib	[no description available]	low	0	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
lumacaftor	[no description available]	low	0	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
ro5126766	[no description available]	low	0	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfoxaflor	[no description available]	low	0	0	nitrile; organofluorine compound; pyridines; sulfoximide
ph 797804	[no description available]	low	0	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
dafadine D	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor
canagliflozin	[no description available]	low	0	0	C-glycosyl compound; organofluorine compound; thiophenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
florbetapir f 18	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
dcc-2036	[no description available]	low	0	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib	[no description available]	low	0	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
pexidartinib	[no description available]	low	0	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580	[no description available]	low	0	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
dabrafenib	[no description available]	low	0	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	[no description available]	low	0	0	organofluorine compound	non-steroidal anti-inflammatory drug
torin 1	[no description available]	low	0	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
ro 4929097	[no description available]	low	0	0	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor
torin 2	[no description available]	low	0	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
gsk2656157	[no description available]	low	0	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	[no description available]	low	0	0	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles
vericiguat	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
pacific blue succinimidyl ester	[no description available]	low	0	0	hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound	fluorochrome
oxathiapiprolin	[no description available]	low	0	0	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione	[no description available]	low	0	0	halophenol; organofluorine compound
LimKi 3	[no description available]	low	0	0	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor
ivosidenib	[no description available]	low	0	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
as 1842856	[no description available]	low	0	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
enasidenib	[no description available]	low	0	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
MMP-9-IN-1	[no description available]	low	0	0	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine	[no description available]	low	0	0	organofluorine compound
nirmatrelvir	[no description available]	low	0	0	azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
win 52035	[no description available]	low	0	0	aromatic ether
win 52084	[no description available]	low	0	0	aromatic ether
5-(nonyloxy)tryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	serotonergic agonist
methylbufotenin	[no description available]	low	0	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
ro 48-8071	[no description available]	low	0	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
aristolochic acid i	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite
bufetolol	[no description available]	low	0	0	aromatic ether
bufexamac	[no description available]	low	0	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cgp 12177	[no description available]	low	0	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
ciglitazone	[no description available]	low	0	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cirazoline	[no description available]	low	0	0	aromatic ether
clofibric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
colchicine, (+-)-isomer	[no description available]	low	0	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
croconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes
cypermethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
racemethorphan	[no description available]	low	0	0	aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound
domiphen	[no description available]	low	0	0	aromatic ether
epirizole	[no description available]	low	0	0	aromatic ether
ethoxyquin	[no description available]	low	0	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
2-hexyloxybenzamide	[no description available]	low	0	0	aromatic ether; benzamides	antifungal agent
fenvalerate	[no description available]	low	0	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
gallamine triethiodide	[no description available]	low	0	0	aromatic ether
haloprogin	[no description available]	low	0	0	aromatic ether
ipriflavone	[no description available]	low	0	0	aromatic ether; isoflavones	bone density conservation agent
methoctramine	[no description available]	low	0	0	aromatic ether; tetramine	muscarinic antagonist
nisoxetine	[no description available]	low	0	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	low	0	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
pd 153035	[no description available]	low	0	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pramoxine	[no description available]	low	0	0	aromatic ether; morpholines	local anaesthetic
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
propoxur	[no description available]	low	0	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
tetrahydropapaverine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
wb 4101	[no description available]	low	0	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
3,3',5-triiodothyropropionic acid	[no description available]	low	0	0	aromatic ether
methacetin	[no description available]	low	0	0	acetamides; aromatic ether
visnagin	[no description available]	low	0	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
2-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols
phenetidine	[no description available]	low	0	0	aromatic ether; substituted aniline
2-methyl-4-chlorophenoxy gamma-butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic
4-bromophenyl phenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
di-(4-aminophenyl)ether	[no description available]	low	0	0	aromatic ether
phenyl ether	[no description available]	low	0	0	aromatic ether	plant metabolite
diglycidyl resorcinol ether	[no description available]	low	0	0	aromatic ether
phenetole	[no description available]	low	0	0	aromatic ether
scoparone	[no description available]	low	0	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
dimethoxyphenylethylamine	[no description available]	low	0	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
dichlorprop	[no description available]	low	0	0	aromatic ether; dichlorobenzene; monocarboxylic acid
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
ethyl vanillin	[no description available]	low	0	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
benzethonium chloride	[no description available]	low	0	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant
peucedanin	[no description available]	low	0	0	aromatic ether; furanocoumarin; lactone	plant metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
3-anisidine	[no description available]	low	0	0	aromatic ether; substituted aniline
domiphen bromide	[no description available]	low	0	0	aromatic ether
dibrompropamidine	[no description available]	low	0	0	aromatic ether
4-Ethoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
bulbocapnine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
xylocholine	[no description available]	low	0	0	aromatic ether
3-methoxycatechol	[no description available]	low	0	0	aromatic ether; catechols	G-protein-coupled receptor agonist
2-phenoxypropanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
6-methoxyquinoline	[no description available]	low	0	0	aromatic ether; quinolines
heliamine	[no description available]	low	0	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
2,4,6-trichlorophenyl 4-nitrophenyl ether	[no description available]	low	0	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
etridiazol	[no description available]	low	0	0	aromatic ether; organochlorine compound; thiadiazole antifungal agent; thiadiazoles	antifungal agrochemical; nitrification inhibitor
toliprolol	[no description available]	low	0	0	aromatic ether
5-methoxyindoleacetic acid	[no description available]	low	0	0	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite
phenoxyacetic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
nafenopin	[no description available]	low	0	0	aromatic ether; monocarboxylic acid
methyl vanillate	[no description available]	low	0	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
5-methoxyindole-2-carboxylic acid	[no description available]	low	0	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite
2-isopropoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
1,2-epoxy-3-(p-nitrophenoxy)propane	[no description available]	low	0	0	aromatic ether; C-nitro compound; epoxide
laurolitsine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
ac 45594	[no description available]	low	0	0	aromatic ether
3-phenoxybenzylalcohol	[no description available]	low	0	0	aromatic ether; benzyl alcohols	marine xenobiotic metabolite
fluorodifen	[no description available]	low	0	0	aromatic ether
acridine half-mustard	[no description available]	low	0	0	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen
precocene i	[no description available]	low	0	0	aromatic ether; chromenes	plant metabolite; precocenes
oxadiazon	[no description available]	low	0	0	aromatic ether
lofexidine	[no description available]	low	0	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
phenylglycidyl ether	[no description available]	low	0	0	aromatic ether
phenoxyethanol	[no description available]	low	0	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
silybin	[no description available]	low	0	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
oxamethacin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
canadine	[no description available]	low	0	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
7-ethoxycoumarin	[no description available]	low	0	0	aromatic ether; coumarins
chlormethoxynil	[no description available]	low	0	0	aromatic ether
climbazole	[no description available]	low	0	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
4-hexyloxyaniline	[no description available]	low	0	0	aromatic ether; substituted aniline
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; monocarboxylic acid
oxyfluorofen	[no description available]	low	0	0	aromatic ether	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
triadimefon	[no description available]	low	0	0	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles
dichlorfop-methyl	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; methyl ester
decamethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
triadimenol	[no description available]	low	0	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
triclopyr	[no description available]	low	0	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic
st 1059	[no description available]	low	0	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
bopindolol	[no description available]	low	0	0	aromatic ether; benzoate ester; methylindole; secondary amino compound
fenpropathrin, (+-)-isomer	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
flutolanil	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fenoxaprop ethyl	[no description available]	low	0	0	aromatic ether
triclabendazole	[no description available]	low	0	0	aromatic ether
fluvalinate	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
fenoxycarb	[no description available]	low	0	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic
quizalofop-ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative
cetamolol	[no description available]	low	0	0	aromatic ether
methyl bensulfuron	[no description available]	low	0	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
itraconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
disoxaril	[no description available]	low	0	0	aromatic ether
chlorimuron ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
tepoxalin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
pioglitazone hydrochloride	[no description available]	low	0	0	aromatic ether
sulfametrole	[no description available]	low	0	0	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles
hexamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
fluazuron	[no description available]	low	0	0	aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas	acaricide; mite growth regulator
etiroxate	[no description available]	low	0	0	aromatic ether
etofamide	[no description available]	low	0	0	aromatic ether
esreboxetine	[no description available]	low	0	0	aromatic ether
guaethol	[no description available]	low	0	0	aromatic ether; phenols; volatile organic compound	flavouring agent
5'-nitro-2'-propoxyacetanilide	[no description available]	low	0	0	aromatic ether; C-nitro compound
suberosin	[no description available]	low	0	0	aromatic ether; coumarins	anticoagulant; plant metabolite
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
toltrazuril	[no description available]	low	0	0	aromatic ether
plafibride	[no description available]	low	0	0	aromatic ether
cinitapride	[no description available]	low	0	0	aromatic ether; C-nitro compound
isoscopoletin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	plant metabolite
ethofenprox	[no description available]	low	0	0	aromatic ether	pyrethroid ether insecticide
amezinium	[no description available]	low	0	0	aromatic ether; primary arylamine; pyridazinium ion	adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent
rubrofusarin	[no description available]	low	0	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite
triasulfuron	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
uvaretin	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
prochloraz	[no description available]	low	0	0	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
stictic acid	[no description available]	low	0	0	aromatic ether
pramoxine hydrochloride	[no description available]	low	0	0	aromatic ether
4-methoxybenzylamine	[no description available]	low	0	0	aralkylamino compound; aromatic ether; primary amino compound
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
adriamycinol	[no description available]	low	0	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite
difenoconazole	[no description available]	low	0	0	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
a 8947	[no description available]	low	0	0	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
ethylhydrocupreine	[no description available]	low	0	0	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
7,8-dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
4,5-dimethoxy-2-nitrobenzaldehyde	[no description available]	low	0	0	aromatic ether; C-nitro compound
bisphenol f diglycidyl ether	[no description available]	low	0	0	aromatic ether; diarylmethane; epoxide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
bitertanol	[no description available]	low	0	0	aromatic ether; biphenyls; secondary alcohol; triazoles
diflufenican	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
hexafluoron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide
diethofencarb	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical
pyriproxyfen	[no description available]	low	0	0	aromatic ether; pyridines	juvenile hormone mimic
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	[no description available]	low	0	0	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
aclonifen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
cinosulfuron	[no description available]	low	0	0	aromatic ether
vestitol	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite
laudanine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate
cryptopleurine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
6-hydroxymethylmexiletine	[no description available]	low	0	0	aromatic ether
4-hydroxymexiletine	[no description available]	low	0	0	aromatic ether; phenols
cloquintocet-mexyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines
bursehernin	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
2,2',4,4'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
allocryptopine	[no description available]	low	0	0	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound
sporidesmin	[no description available]	low	0	0	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator
syringaresinol	[no description available]	low	0	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite
p-methoxy-n-methylphenethylamine	[no description available]	low	0	0	aromatic ether; secondary amino compound	metabolite
aflatoxin q1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite
u 73122	[no description available]	low	0	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
norverapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; secondary amino compound
fumitremorgin a	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	mycotoxin
deguelin	[no description available]	low	0	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
aristolochic acid ii	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
tephrosin	[no description available]	low	0	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
alpha-hydroxymetoprolol	[no description available]	low	0	0	aromatic ether
5-(tetradecyloxy)-2-furancarboxylic acid	[no description available]	low	0	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist
5-hydroxymethylomeprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite
ym 12617	[no description available]	low	0	0	aromatic ether; secondary amino compound; sulfonamide
cgp 28392	[no description available]	low	0	0	aromatic ether
sodium-binding benzofuran isophthalate	[no description available]	low	0	0	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
reboxetine	[no description available]	low	0	0	aromatic ether
b 823-08	[no description available]	low	0	0	aromatic ether
marsupsin	[no description available]	low	0	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
xibenolol	[no description available]	low	0	0	aromatic ether
cicloprolol	[no description available]	low	0	0	aromatic ether
chs 828	[no description available]	low	0	0	aromatic ether
2-(4-methoxyphenoxy)propanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
2,2',4,4',5,5'-hexabrominated diphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
birb 796	[no description available]	low	0	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
schizandrin b	[no description available]	low	0	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
s 23121	[no description available]	low	0	0	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound
acrovestone	[no description available]	low	0	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
corytuberine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite
actinodaphine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
isohomovanillic acid	[no description available]	low	0	0	aromatic ether; phenols; phenylacetic acids	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
7,8-dihydro-5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
4-amino-2-methoxypyrimidine	[no description available]	low	0	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
aristolochic acid D	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
aristolochic acid c	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
pluviatolide	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
erysodine	[no description available]	low	0	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
rubrofusarin B	[no description available]	low	0	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite
ly 293111	[no description available]	low	0	0	aromatic ether
enrasentan	[no description available]	low	0	0	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist
quizalofop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative
cyhalofop-butyl	[no description available]	low	0	0	aromatic ether
cyperin	[no description available]	low	0	0	aromatic ether
aflatoxin b1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
5-o-methyllicoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
pronuciferine	[no description available]	low	0	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
famoxadone	[no description available]	low	0	0	aromatic ether; carbohydrazide; oxazolidinone
dabuzalgron	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes; sulfonamide	alpha-adrenergic agonist
fonsecin	[no description available]	low	0	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite
lasofoxifene	[no description available]	low	0	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
(+-)-Dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	[no description available]	low	0	0	aromatic ether; substituted aniline
chondocurine (1beta)-(+-)-isomer	[no description available]	low	0	0	aromatic ether
1-methyl-4-prop-2-enoxy-2-pyrimidinone	[no description available]	low	0	0	aromatic ether; pyrimidone
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
lariciresinol	[no description available]	low	0	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
tryptoquivaline	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
win 54954	[no description available]	low	0	0	aromatic ether
silychristin	[no description available]	low	0	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
bispyribac	[no description available]	low	0	0	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide
petunidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
stigmatellin	[no description available]	low	0	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
prinomastat	[no description available]	low	0	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
gancaonin I	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
glycyrin	[no description available]	low	0	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
glyasperin D	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite
licoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
egonol	[no description available]	low	0	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite
N-ethylharmine	[no description available]	low	0	0	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent
pf 1163a	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite
pf 1163b	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic	antifungal agent; Penicillium metabolite
licocoumarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	[no description available]	low	0	0	aromatic ether
LSM-22807	[no description available]	low	0	0	aromatic ether
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	[no description available]	low	0	0	aromatic ether
piperlactam s	[no description available]	low	0	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one	[no description available]	low	0	0	aromatic ether
antofine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
xanthohumol	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
2-phenoxy-N-(2-pyridinyl)butanamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide	[no description available]	low	0	0	aromatic ether
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol	[no description available]	low	0	0	aromatic ether
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine	[no description available]	low	0	0	aromatic ether
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole	[no description available]	low	0	0	aromatic ether
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone	[no description available]	low	0	0	aromatic ether
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol	[no description available]	low	0	0	aromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	aromatic ether
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	[no description available]	low	0	0	aromatic ether; triazolothiadiazole
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one	[no description available]	low	0	0	aromatic ether
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione	[no description available]	low	0	0	aromatic ether
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester	[no description available]	low	0	0	aromatic ether
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine	[no description available]	low	0	0	aromatic ether
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester	[no description available]	low	0	0	aromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
4-(4-phenylmethoxyphenyl)thiadiazole	[no description available]	low	0	0	aromatic ether
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone	[no description available]	low	0	0	aromatic ether
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole	[no description available]	low	0	0	aromatic ether
curcumin	[no description available]	low	0	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine	[no description available]	low	0	0	aromatic ether
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide	[no description available]	low	0	0	aromatic ether
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone	[no description available]	low	0	0	aromatic ether
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide	[no description available]	low	0	0	aromatic ether
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone	[no description available]	low	0	0	aromatic ether
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide	[no description available]	low	0	0	aromatic ether
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
Src Inhibitor-1	[no description available]	low	0	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile	[no description available]	low	0	0	aromatic ether
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	aromatic ether
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline	[no description available]	low	0	0	aromatic ether
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile	[no description available]	low	0	0	aromatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole	[no description available]	low	0	0	aromatic ether
1-butyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide	[no description available]	low	0	0	aromatic ether
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine	[no description available]	low	0	0	aromatic ether
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine	[no description available]	low	0	0	aromatic ether
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	[no description available]	low	0	0	aromatic ether
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine	[no description available]	low	0	0	aromatic ether
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde	[no description available]	low	0	0	aromatic ether
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione	[no description available]	low	0	0	aromatic ether
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine	[no description available]	low	0	0	aromatic ether
N-butyl-4-phenoxy-1-butanamine	[no description available]	low	0	0	aromatic ether
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester	[no description available]	low	0	0	aromatic ether
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	[no description available]	low	0	0	aromatic ether
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester	[no description available]	low	0	0	aromatic ether
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine	[no description available]	low	0	0	aromatic ether
N4-(2-methoxyphenyl)benzene-1,4-diamine	[no description available]	low	0	0	aromatic ether; substituted aniline
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone	[no description available]	low	0	0	aromatic ether
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine	[no description available]	low	0	0	aromatic ether
5-(3-fluorophenoxy)-8-nitroisoquinoline	[no description available]	low	0	0	aromatic ether
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine	[no description available]	low	0	0	aromatic ether
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide	[no description available]	low	0	0	aromatic ether
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	[no description available]	low	0	0	aromatic ether
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide	[no description available]	low	0	0	aromatic ether
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone	[no description available]	low	0	0	aromatic ether
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one	[no description available]	low	0	0	aromatic ether
2-(4-aminophenoxy)isophthalonitrile	[no description available]	low	0	0	aromatic ether
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine	[no description available]	low	0	0	aromatic ether
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide	[no description available]	low	0	0	aromatic ether
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea	[no description available]	low	0	0	aromatic ether
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol	[no description available]	low	0	0	aromatic ether
1-[4-(3-ethoxyphenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide	[no description available]	low	0	0	aromatic ether
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide	[no description available]	low	0	0	aromatic ether
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide	[no description available]	low	0	0	aromatic ether
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide	[no description available]	low	0	0	aromatic ether
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
dieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
naproxol	[no description available]	low	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tamoxifen n-oxide	[no description available]	low	0	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
diafenthiuron	[no description available]	low	0	0	aromatic ether; thiourea acaricide; thiourea insecticide	oxidative phosphorylation inhibitor; proinsecticide
ospemifene	[no description available]	low	0	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator
adefovir	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide	[no description available]	low	0	0	aromatic ether
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide	[no description available]	low	0	0	aromatic ether
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea	[no description available]	low	0	0	aromatic ether
quinoxyfen	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical
nafadotride	[no description available]	low	0	0	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-methyl-1,3-bis(phenylmethoxy)benzene	[no description available]	low	0	0	aromatic ether
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea	[no description available]	low	0	0	aromatic ether
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine	[no description available]	low	0	0	aromatic ether
1-[4-(2-chlorophenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide	[no description available]	low	0	0	aromatic ether
hydroxypioglitazone	[no description available]	low	0	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite
sc-19220	[no description available]	low	0	0	aromatic ether
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide	[no description available]	low	0	0	aromatic ether
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	[no description available]	low	0	0	aromatic ether; substituted aniline
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol	[no description available]	low	0	0	aromatic ether
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene	[no description available]	low	0	0	aromatic ether
fraxin	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite
fraxetin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
coniferin	[no description available]	low	0	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite
daphnoretin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
kavain	[no description available]	low	0	0	2-pyranones; aromatic ether
methysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
yangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
hinokiflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
gentiacaulein	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
gentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
isogentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
swerchirin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
1,2,8-trihydroxy-6-methoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
wedelolactone	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
neticonazole	[no description available]	low	0	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
purmorphamine	[no description available]	low	0	0	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile	[no description available]	low	0	0	aromatic ether
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
glycycoumarin	[no description available]	low	0	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
isoginkgetin	[no description available]	low	0	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
neoglycyrol	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
bosutinib	[no description available]	low	0	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
lichexanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
alternariol monomethyl ether	[no description available]	low	0	0	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin
decussatin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
bedaquiline	[no description available]	low	0	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
dimethomorph	[no description available]	low	0	0	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide
benanomicin b	[no description available]	low	0	0	aromatic ether; disaccharide derivative; L-alanine derivative; polyketide; polyphenol; pradimicin; secondary alcohol
pradimicin b	[no description available]	low	0	0	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
pradimicin a	[no description available]	low	0	0	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol
ici 118551	[no description available]	low	0	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
ochnaflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide	[no description available]	low	0	0	aromatic ether
flavasperone	[no description available]	low	0	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite
4-hydroxycordoin	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite
n-feruloylserotonin	[no description available]	low	0	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
tyrphostin ag825	[no description available]	low	0	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist
kresoxim-methyl	[no description available]	low	0	0	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
5-methoxy-3,6-diphenyl-1,2,4-triazine	[no description available]	low	0	0	aromatic ether
pyrachlostrobin	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
piericidin a	[no description available]	low	0	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
metrafenone	[no description available]	low	0	0	aromatic ether; aryl phenyl ketone fungicide; benzophenones; organobromine compound	antifungal agrochemical
b 43	[no description available]	low	0	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
5-(4-phenylbutoxy)psoralen	[no description available]	low	0	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
5-ia-85380	[no description available]	low	0	0	aromatic ether
yunaconitine	[no description available]	low	0	0	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic
altenusin	[no description available]	low	0	0	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
camostat	[no description available]	low	0	0	aromatic ether; phenols
nsc 716970	[no description available]	low	0	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent
lobeglitazone	[no description available]	low	0	0	aromatic ether
fr 148083	[no description available]	low	0	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
9-methoxycanthin-6-one	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
sb 3ct compound	[no description available]	low	0	0	aromatic ether
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
dapagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
naveglitazar	[no description available]	low	0	0	aromatic ether
tivozanib	[no description available]	low	0	0	aromatic ether
zm 447439	[no description available]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
ustiloxin b	[no description available]	low	0	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin
hypothemycin	[no description available]	low	0	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
tryprostatin a	[no description available]	low	0	0	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor
cediranib	[no description available]	low	0	0	aromatic ether
3-iodothyronamine	[no description available]	low	0	0	aromatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	[no description available]	low	0	0	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator
rubraxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
7,8-Dihydroyangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
sch 51344	[no description available]	low	0	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
ancistroealaine a	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
tolfenpyrad	[no description available]	low	0	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor
dihydrokavain	[no description available]	low	0	0	2-pyranones; aromatic ether
troglitazone sulfate	[no description available]	low	0	0	aromatic ether; thiazolidinone
arisugacin	[no description available]	low	0	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
saracatinib	[no description available]	low	0	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
fonsecinone a	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite
crenolanib	[no description available]	low	0	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
aiphanol	[no description available]	low	0	0	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
nigerloxin	[no description available]	low	0	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
msdc-0160	[no description available]	low	0	0	aromatic ether
dihydroxanthohumol	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
PB28	[no description available]	low	0	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
7-phloroeckol	[no description available]	low	0	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
PDGF receptor tyrosine kinase inhibitor III	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
regorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
erastin	[no description available]	low	0	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor
brivanib	[no description available]	low	0	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
fg-4592	[no description available]	low	0	0	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
cenicriviroc	[no description available]	low	0	0	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist
glyceryl ferulate	[no description available]	low	0	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
ki 8751	[no description available]	low	0	0	aromatic ether
ceratamine a	[no description available]	low	0	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
bay94 9172	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
cj-042794	[no description available]	low	0	0	aromatic ether
hu 308	[no description available]	low	0	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist
ki11502	[no description available]	low	0	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
PF-00835231	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
chir-265	[no description available]	low	0	0	aromatic ether
aminocandin	[no description available]	low	0	0	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent
zk 756326	[no description available]	low	0	0	aromatic ether
empagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide	[no description available]	low	0	0	aromatic ether
n-desmethylrosiglitazone	[no description available]	low	0	0	aromatic ether
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide	[no description available]	low	0	0	aromatic ether
verruculogen	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
2,2',4,5'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
hexabromodiphenyl ether 154	[no description available]	low	0	0	aromatic ether; organobromine compound
bde 183	[no description available]	low	0	0	aromatic ether; organobromine compound
l-798106	[no description available]	low	0	0	aromatic ether; bromobenzenes; N-sulfonylcarboxamide	prostaglandin receptor antagonist
aflatoxin m1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
macitentan	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides	antihypertensive agent; endothelin receptor antagonist; orphan drug
CDN1163	[no description available]	low	0	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
e 7050	[no description available]	low	0	0	aromatic ether
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine C	[no description available]	low	0	0	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor
dafadine B	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide	[no description available]	low	0	0	aromatic ether
violaceol II	[no description available]	low	0	0	aromatic ether; catechols; resorcinols	mycotoxin
pamapimod	[no description available]	low	0	0	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
cnf 2024	[no description available]	low	0	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
uk 453,061	[no description available]	low	0	0	aromatic ether
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	[no description available]	low	0	0	aromatic ether; coumarins; pyrrolidines; tertiary amino compound
zm323881	[no description available]	low	0	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist
compound w	[no description available]	low	0	0	aromatic ether
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
interiotherin b	[no description available]	low	0	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	[no description available]	low	0	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
diorcinol	[no description available]	low	0	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
mk 5108	[no description available]	low	0	0	aromatic ether
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone	[no description available]	low	0	0	aromatic ether
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine O	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
pci 32765	[no description available]	low	0	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
AMG-208	[no description available]	low	0	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor
6-methoxyspirotryprostatin b	[no description available]	low	0	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
lucitanib	[no description available]	low	0	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist
act-132577	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; sulfamides	antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite
poziotinib	[no description available]	low	0	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
gsk 2126458	[no description available]	low	0	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
gsk 1363089	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide	[no description available]	low	0	0	aromatic ether
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea	[no description available]	low	0	0	aromatic ether
monepantel	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
grazoprevir	[no description available]	low	0	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
hordatine a	[no description available]	low	0	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone	[no description available]	low	0	0	aromatic ether
tak-632	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor
lrrk2-in1	[no description available]	low	0	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
quinolobactin	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
AZD1979	[no description available]	low	0	0	aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes	melanin-concentrating hormone receptor antagonist
ML240	[no description available]	low	0	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
aripiprazole lauroxil	[no description available]	low	0	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist
abt-199	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
xl765	[no description available]	low	0	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
DMH1	[no description available]	low	0	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	[no description available]	low	0	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
pf 4800567	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
propenylphosphonic acid	[no description available]	low	0	0	aromatic ether
abt-333	[no description available]	low	0	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor
naloxegol	[no description available]	low	0	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
MK-8353	[no description available]	low	0	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide	[no description available]	low	0	0	aromatic ether
saroglitazar	[no description available]	low	0	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist
fertaric acid	[no description available]	low	0	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles
pf-06463922	[no description available]	low	0	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
DDR1-IN-1	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
MLI-2	[no description available]	low	0	0	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187	[no description available]	low	0	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
tak 491	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug
azilsartan	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent
hydrazinocurcumin	[no description available]	low	0	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
mirodenafil	[no description available]	low	0	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
cerulomycin	[no description available]	low	0	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
sb-590885	[no description available]	low	0	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
PF-07304814	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug

Article	Year
The Feasibility and Safety of Flecainide Use Among Patients With Varying Degrees of Coronary Disease. JACC. Clinical electrophysiology, Volume: 9, Issue: 7 Pt 2	2023
Flecainide toxicity: ECG changes associated with supratherapeutic levels in milk-fed infants. BMJ case reports, Feb-02, Volume: 16, Issue: 2	2023
Safety of Pill-in-the-Pocket Class 1C Antiarrhythmic Drugs for Atrial Fibrillation. JACC. Clinical electrophysiology, Volume: 8, Issue: 12	2022
Safety and efficacy of flecainide associated with beta-blockers in arrhythmogenic right ventricular cardiomyopathy. Europace : European pacing, arrhythmias, and cardiac electrophysiology : journal of the working groups on cardiac pacing, arrhythmias, and cardiac cellular electrophysiology of the European Society of Cardiology, 02-02, Volume: 24, Issue: 2	2022
Flecainide toxicity with high pacemaker capture thresholds and associated takotsubo syndrome. BMJ case reports, Aug-06, Volume: 14, Issue: 8	2021
Use of Flecainide in Stable Coronary Artery Disease: An Analysis of Its Safety in Both Nonobstructive and Obstructive Coronary Artery Disease. American journal of cardiovascular drugs : drugs, devices, and other interventions, Volume: 21, Issue: 5	2021
"Second line medications" for supraventricular arrhythmias in children: In-hospital efficacy and adverse events during treatment initiation of sotalol and flecainide. Journal of cardiovascular electrophysiology, Volume: 32, Issue: 8	2021
Fast and furious: flecainide toxicity presenting as monomorphic ventricular tachycardia. BMJ case reports, Dec-13, Volume: 13, Issue: 12	2020
Complete Heart Block Secondary to Flecainide Toxicity: Is It Time for CYP2D6 Genotype Testing? Pediatrics, Volume: 146, Issue: 1	2020
The Case of Flecainide Toxicity: What to Look for and How to Treat. The Journal of emergency medicine, Volume: 59, Issue: 2	2020
Flecainide toxicity: a presentation to the emergency department with literature review. BMJ case reports, Feb-28, Volume: 13, Issue: 2	2020
Flecainide Toxicity Resulting in Pacemaker Latency and Intermittent Failure to Capture. The American journal of case reports, Aug-30, Volume: 20	2019
Safety and efficacy of flecainide for patients with catecholaminergic polymorphic ventricular tachycardia: A systematic review and meta-analysis. Medicine, Volume: 98, Issue: 34	2019
Is antiarrhythmic therapy safe in twin pregnancies? Acta paediatrica (Oslo, Norway : 1992), Volume: 108, Issue: 9	2019
The Safety and Effectiveness of Flecainide in Children in the Current Era. Pediatric cardiology, Volume: 38, Issue: 8	2017
Sodium-channel blocker challenge in the familial screening of Brugada syndrome: Safety and predictors of positivity. Heart rhythm, Volume: 14, Issue: 10	2017
Flecainide Toxicity: A Case Report and Systematic Review of its Electrocardiographic Patterns and Management. Cardiovascular toxicology, Volume: 17, Issue: 3	2017
Efficacy and safety in pharmacological cardioversion of recent-onset atrial fibrillation: a propensity score matching to compare amiodarone vs class IC antiarrhythmic drugs. Internal and emergency medicine, Volume: 12, Issue: 6	2017
Efficacy and safety of flecainide for ventricular arrhythmias in patients with Andersen-Tawil syndrome with KCNJ2 mutations. Heart rhythm, Volume: 12, Issue: 3	2015
Hypertonic sodium bicarbonate versus intravenous lipid emulsion in a rabbit model of intravenous flecainide toxicity: no difference, no sink. Clinical toxicology (Philadelphia, Pa.), Volume: 51, Issue: 5	2013
Decreased milk drinking causing flecainide toxicity in an older child. BMJ case reports, Jun-21, Volume: 2012	2012
Safety of flecainide. Drug safety, Apr-01, Volume: 35, Issue: 4	2012
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
The safety of flecainide treatment of atrial fibrillation: long-term incidence of sudden cardiac death and proarrhythmic events. Journal of internal medicine, Volume: 270, Issue: 3	2011
Twenty-five years in the making: flecainide is safe and effective for the management of atrial fibrillation. Europace : European pacing, arrhythmias, and cardiac electrophysiology : journal of the working groups on cardiac pacing, arrhythmias, and cardiac cellular electrophysiology of the European Society of Cardiology, Volume: 13, Issue: 2	2011
Safety and efficacy of flecainide in the treatment of symptomatic children with Wolff-Parkinson-White syndrome. Pediatric cardiology, Volume: 31, Issue: 8	2010
Rhythm control agents and adverse events in patients with atrial fibrillation. International journal of clinical practice, Volume: 64, Issue: 8	2010
Intravenous administration of flecainide or propafenone in patients with recent-onset atrial fibrillation does not predict adverse effects during 'pill-in-the-pocket' treatment. Heart (British Cardiac Society), Volume: 96, Issue: 7	2010
Paranoid psychosis and myoclonus: flecainide toxicity in renal failure. Cardiology, Volume: 111, Issue: 2	2008
Observations on the safety and effectiveness of dofetilide in patients with paroxysmal atrial fibrillation and normal left ventricular function. Journal of cardiovascular pharmacology and therapeutics, Volume: 12, Issue: 1	2007
Flecainide cardiotoxicity precipitated by electrolyte imbalance. Caution with thiazide diuretics. Emergency medicine journal : EMJ, Volume: 24, Issue: 5	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
Safety and efficacy of flecainide in subjects with Long QT-3 syndrome (DeltaKPQ mutation): a randomized, double-blind, placebo-controlled clinical trial. Annals of noninvasive electrocardiology : the official journal of the International Society for Holter and Noninvasive Electrocardiology, Inc, Volume: 10, Issue: 4 Suppl	2005
Low-dose flecainide infusion followed by oral pilsicainide is highly effective and safe for paroxysmal atrial fibrillation. Cardiovascular drugs and therapy, Volume: 17, Issue: 1	2003
Safety of a controlled-release flecainide acetate formulation in the prevention of paroxysmal atrial fibrillation in outpatients. Annales de cardiologie et d'angeiologie, Volume: 52, Issue: 1	2003
Meta-analysis of flecainide safety in patients with supraventricular arrhythmias. Arzneimittel-Forschung, Volume: 52, Issue: 7	2002
[Effectiveness and side effects of the treatment with propafenone and flecainide for recent-onset atrial fibrillation]. Italian heart journal. Supplement : official journal of the Italian Federation of Cardiology, Volume: 2, Issue: 1	2001
Safe and efficacious dosage of flecainide acetate for treating equine atrial fibrillation. The Journal of veterinary medical science, Volume: 62, Issue: 7	2000
Safety and efficacy of oral flecainide acetate in patients with cardiac arrhythmias. Japanese heart journal, Volume: 38, Issue: 3	1997
Paranoid psychosis due to flecainide toxicity in malignant neuropathic pain. Pain, Volume: 70, Issue: 1	1997
Safety of flecainide versus propafenone for the long-term management of symptomatic paroxysmal supraventricular tachyarrhythmias. Report from the Flecainide and Propafenone Italian Study (FAPIS) Group. European heart journal, Volume: 16, Issue: 12	1995
Efficacy and safety of long-term oral flecainide acetate in patients with responsive supraventricular tachycardia. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
Safety and utility of flecainide acetate in the routine care of patients with supraventricular tachyarrhythmias: results of a multicenter trial. The Flecainide Supraventricular Tachycardia Study Group. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
Comparison of the safety and efficacy of flecainide versus propafenone in hospital out-patients with symptomatic paroxysmal atrial fibrillation/flutter. The Flecainide AF French Study Group. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
Safety of long-term flecainide and propafenone in the management of patients with symptomatic paroxysmal atrial fibrillation: report from the Flecainide and Propafenone Italian Study Investigators. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
Modulation of flecainide's cardiac sodium channel blocking actions by extracellular sodium: a possible cellular mechanism for the action of sodium salts in flecainide cardiotoxicity. The Journal of pharmacology and experimental therapeutics, Volume: 264, Issue: 3	1993
Unpredictability of flecainide plasma concentrations in patients with renal failure: relationship to side effects and sudden death? Therapeutic drug monitoring, Volume: 16, Issue: 4	1994
Chronic oral toxicity and oncogenicity studies of flecainide, an antiarrhythmic, in rats and mice. Toxicology and applied pharmacology, Volume: 73, Issue: 2	1984
Extracardiac adverse effects of flecainide. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
Pharmacodynamics and side effects of flecainide acetate. Clinical pharmacology and therapeutics, Volume: 40, Issue: 1	1986
Summary of efficacy and safety of flecainide for supraventricular arrhythmias. The American journal of cardiology, Aug-25, Volume: 62, Issue: 6	1988
Long-term efficacy and safety of flecainide for supraventricular tachycardia. The American journal of cardiology, Aug-25, Volume: 62, Issue: 6	1988
Efficacy and safety of class IC antiarrhythmic agents for the treatment of coexisting supraventricular and ventricular tachycardia. The American journal of cardiology, Aug-25, Volume: 62, Issue: 6	1988
Life-threatening flecainide toxicity. A pharmacodynamic approach. Annals of internal medicine, Volume: 106, Issue: 6	1987
Dysarthria and visual hallucinations due to flecainide toxicity. Postgraduate medical journal, Volume: 62, Issue: 723	1986
Generalized seizures as the presentation of flecainide toxicity. European heart journal, Volume: 10, Issue: 10	1989
Efficacy and safety of flecainide acetate in the maintenance of sinus rhythm after electrical cardioversion of chronic atrial fibrillation or atrial flutter. The American journal of cardiology, Dec-01, Volume: 64, Issue: 19	1989
Flecainide toxicity. Archives of disease in childhood, Volume: 64, Issue: 6	1989
Efficacy and safety of flecainide in patients with stable ventricular ectopic beats. Multicenter trial of the Italian Study Group on the Electrophysiology of Arrhythmias. Giornale italiano di cardiologia, Volume: 19, Issue: 4	1989
Efficacy and safety of flecainide in low-risk patients with chronic ventricular arrhythmias: a two-year follow-up. American heart journal, Volume: 117, Issue: 6	1989
Relative efficacy and safety of intravenous drugs for termination of sustained ventricular tachycardia. Lancet (London, England), Sep-15, Volume: 336, Issue: 8716	1990
Flecainide toxicity in a neonate with supraventricular tachycardia. Heart & lung : the journal of critical care, Volume: 20, Issue: 6	1991
Safety and efficacy of oral flecainide therapy in patients with atrioventricular re-entrant tachycardia. Annals of internal medicine, Feb-01, Volume: 114, Issue: 3	1991
Effects of advancing age on the efficacy and side effects of antiarrhythmic drugs in post-myocardial infarction patients with ventricular arrhythmias. The CAST Investigators. Journal of the American Geriatrics Society, Volume: 40, Issue: 7	1992
Long-term safety and efficacy of flecainide in the treatment of supraventricular tachyarrhythmias: the United States experience. The Flecainide Supraventricular Tachyarrhythmia Investigators. The American journal of cardiology, Aug-20, Volume: 70, Issue: 5	1992
Flecainide acetate for treatment of tachyarrhythmias in children: review of world literature on efficacy, safety, and dosing. American heart journal, Volume: 124, Issue: 6	1992
Short- and long-term efficacy and safety of flecainide acetate for supraventricular arrhythmias. The American journal of cardiology, Aug-20, Volume: 70, Issue: 5	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The Antiarrhythmic Drug Flecainide Enhances Aversion to HCl in Mice. eNeuro, Volume: 10, Issue: 9	2023
Long-term flecainide therapy in type 3 long QT syndrome. Europace : European pacing, arrhythmias, and cardiac electrophysiology : journal of the working groups on cardiac pacing, arrhythmias, and cardiac cellular electrophysiology of the European Society of Cardiology, 02-01, Volume: 20, Issue: 2	2018
Radiofrequency ablation of atrial flutter due to administration of class IC antiarrhythmic drugs for atrial fibrillation. The American journal of cardiology, Mar-01, Volume: 83, Issue: 5	1999
Flecainide acetate: concentration-response relationships for antiarrhythmic and electrocardiographic effects. International journal of clinical pharmacology research, Volume: 13, Issue: 4	1993
Chronic oral toxicity and oncogenicity studies of flecainide, an antiarrhythmic, in rats and mice. Toxicology and applied pharmacology, Volume: 73, Issue: 2	1984
The clinical pharmacology of lidocaine congeners--review of encainide, flecainide, lorcainide and tocainide. European heart journal, Volume: 5 Suppl B	1984
Long term use of flecainide in patients with supraventricular tachycardia. Drugs, Volume: 29 Suppl 4	1985
Effect of flecainide on regional left ventricular wall motion after acute intravenous, acute oral and chronic oral administration late after coronary artery bypass grafting. The American journal of cardiology, Sep-01, Volume: 58, Issue: 6	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
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
Utilizing physiologically based pharmacokinetic modeling to predict theoretically conceivable extreme elevation of serum flecainide concentration in an anuric hemodialysis patient with cirrhosis. European journal of clinical pharmacology, Volume: 76, Issue: 6	2020
Comparative Pharmacokinetic and Electrocardiographic Effects of Intratracheal and Intravenous Administration of Flecainide in Anesthetized Pigs. Journal of cardiovascular pharmacology, Volume: 72, Issue: 3	2018
Pharmacokinetic variability of flecainide in younger Japanese patients and mechanisms for renal excretion and intestinal absorption. Biopharmaceutics & drug disposition, Volume: 35, Issue: 3	2014
CYP2D6 genotype affects age-related decline in flecainide clearance: a population pharmacokinetic analysis. Pharmacogenetics and genomics, Volume: 22, Issue: 11	2012
Effects of CYP2D610, CYP3A53, CYP1A2*1F, and ABCB1 C3435T polymorphisms on the pharmacokinetics of flecainide in healthy Chinese subjects. Drug metabolism and drug interactions, Jan-09, Volume: 27, Issue: 1	2012
Tpeak-Tend interval and Tpeak-Tend/QT ratio as markers of ventricular tachycardia inducibility in subjects with Brugada ECG phenotype. Europace : European pacing, arrhythmias, and cardiac electrophysiology : journal of the working groups on cardiac pacing, arrhythmias, and cardiac cellular electrophysiology of the European Society of Cardiology, Volume: 12, Issue: 2	2010
Delirium in a patient with toxic flecainide plasma concentrations: the role of a pharmacokinetic drug interaction with paroxetine. The Annals of pharmacotherapy, Volume: 43, Issue: 7	2009
Physicochemical determinants of human renal clearance. Journal of medicinal chemistry, Aug-13, Volume: 52, Issue: 15	2009
Pharmacokinetic interaction of flecainide and paroxetine in relation to the CYP2D6*10 allele in healthy Korean subjects. British journal of clinical pharmacology, Volume: 66, Issue: 5	2008
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
Gender-associated differences in pharmacokinetics and anti-arrhythmic effects of flecainide in Japanese patients with supraventricular tachyarrhythmia. European journal of clinical pharmacology, Volume: 63, Issue: 10	2007
Effect of CYP2D6 genotype on flecainide pharmacokinetics in Japanese patients with supraventricular tachyarrhythmia. European journal of clinical pharmacology, Volume: 62, Issue: 11	2006
Absorption kinetics and pharmacodynamics of two oral dosage forms of flecainide in patients with an episode of paroxysmal atrial fibrillation. European journal of clinical pharmacology, Volume: 60, Issue: 10	2004
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
Pharmacodynamic equivalence of two flecainide acetate formulations in patients with paroxysmal atrial fibrillation by QRS analysis of ambulatory electrocardiogram. Journal of cardiovascular pharmacology, Volume: 41, Issue: 5	2003
Pharmacokinetics and electrocardiographic effects of a new controlled-release form of flecainide acetate: comparison with the standard form and influence of the CYP2D6 polymorphism. Clinical pharmacology and therapeutics, Volume: 72, Issue: 2	2002
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
Determination of oral dosage and pharmacokinetic analysis of flecainide in horses. The Journal of veterinary medical science, Volume: 63, Issue: 5	2001
Prediction of absolute bioavailability for drugs using oral and renal clearance following a single oral dose: a critical view. Biopharmaceutics & drug disposition, Volume: 18, Issue: 6	1997
Pharmacodynamic variability of flecainide assessed by QRS changes. Clinical pharmacology and therapeutics, Volume: 53, Issue: 1	1993
Variable disposition kinetics and electrocardiographic effects of flecainide during repeated dosing in humans: contribution of genetic factors, dose-dependent clearance, and interaction with amiodarone. Clinical pharmacology and therapeutics, Volume: 55, Issue: 3	1994
Application of second-order polynomial equations to the study of pharmacodynamic interactions: the effect of flecainide acetate and propranolol on cardiac output and vascular resistance. The Journal of pharmacology and experimental therapeutics, Volume: 231, Issue: 2	1984
The influence of urinary pH on flecainide excretion and its serum pharmacokinetics. British journal of clinical pharmacology, Volume: 17, Issue: 4	1984
Flecainide pharmacokinetics in healthy volunteers: the influence of urinary pH. British journal of clinical pharmacology, Volume: 20, Issue: 4	1985
Flecainide. A preliminary review of its pharmacodynamic properties and therapeutic efficacy. Drugs, Volume: 29, Issue: 1	1985
Altered pharmacokinetics of oral flecainide by cimetidine. British journal of clinical pharmacology, Volume: 22, Issue: 1	1986
Flecainide pharmacokinetics after multiple dosing in patients with impaired renal function. Journal of clinical pharmacology, Volume: 28, Issue: 8	1988
Pharmacokinetics of flecainide in patients with cirrhosis of the liver. Clinical pharmacology and therapeutics, Volume: 44, Issue: 5	1988
Pharmacokinetics of flecainide in a patient undergoing continuous ambulatory peritoneal dialysis. Journal of clinical pharmacy and therapeutics, Volume: 13, Issue: 2	1988
Abnormal pharmacokinetics of flecainide in a "nonresponder". Clinical cardiology, Volume: 11, Issue: 5	1988
Hemofiltration clearance of flecainide in a patient with acute renal failure. Intensive care medicine, Volume: 14, Issue: 3	1988
Oral flecainide pharmacokinetics in patients with impaired renal function. Journal of clinical pharmacology, Volume: 28, Issue: 3	1988
Pharmacokinetics of flecainide acetate in patients with severe renal impairment. Clinical pharmacology and therapeutics, Volume: 43, Issue: 4	1988
Pharmacokinetics of flecainide in patients with mild and moderate renal failure compared with patients with normal renal function. European journal of clinical pharmacology, Volume: 31, Issue: 6	1987
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
[Determination of flecainide concentration in blood plasma by HPLC and pharmacokinetic parameters in volunteers]. Yao xue xue bao = Acta pharmaceutica Sinica, Volume: 24, Issue: 6	1989
Clinical pharmacokinetics of intravenous flecainide in critically ill patients. Journal of clinical pharmacy and therapeutics, Volume: 14, Issue: 4	1989
Paediatric use of flecainide in supraventricular tachycardia: clinical efficacy and pharmacokinetics. British heart journal, Volume: 62, Issue: 2	1989
[Pharmacodynamics and pharmacokinetics of flecainide in cardiac pre-excitation of the bundle of Kent]. Cardiologia (Rome, Italy), Volume: 34, Issue: 5	1989
The pharmacodynamic and pharmacokinetic interaction between single doses of flecainide acetate and verapamil: effects on cardiac function and drug clearance. Clinical pharmacology and therapeutics, Volume: 46, Issue: 1	1989
Flecainide acetate for resistant arrhythmias in the young: efficacy and pharmacokinetics. Journal of the American College of Cardiology, Volume: 14, Issue: 1	1989
Semiparametric analysis of non-steady-state pharmacodynamic data. Journal of pharmacokinetics and biopharmaceutics, Volume: 19, Issue: 6	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Management of life-threatening flecainide overdose: a case report of an infant. Cardiology in the young, Volume: 31, Issue: 11	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Pharmacokinetic variability of flecainide in younger Japanese patients and mechanisms for renal excretion and intestinal absorption. Biopharmaceutics & drug disposition, Volume: 35, Issue: 3	2014
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
Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation. Journal of medicinal chemistry, Jun-14, Volume: 50, Issue: 12	2007
Absorption kinetics and pharmacodynamics of two oral dosage forms of flecainide in patients with an episode of paroxysmal atrial fibrillation. European journal of clinical pharmacology, Volume: 60, Issue: 10	2004
Pharmacokinetics and electrocardiographic effects of a new controlled-release form of flecainide acetate: comparison with the standard form and influence of the CYP2D6 polymorphism. Clinical pharmacology and therapeutics, Volume: 72, Issue: 2	2002
QSAR model for drug human oral bioavailability. Journal of medicinal chemistry, Jun-29, Volume: 43, Issue: 13	2000
Prediction of absolute bioavailability for drugs using oral and renal clearance following a single oral dose: a critical view. Biopharmaceutics & drug disposition, Volume: 18, Issue: 6	1997
Flecainide. Journal of cardiovascular electrophysiology, Volume: 5, Issue: 11	1994
Flecainide distribution, transplacental passage, and accumulation in the amniotic fluid during the third trimester of pregnancy. The Annals of pharmacotherapy, Volume: 28, Issue: 9	1994
Estimation of the absolute bioavailability of flecainide using stable isotope technique. European journal of clinical pharmacology, Volume: 48, Issue: 1	1995
Clinical profiles of newer class I antiarrhythmic agents--tocainide, mexiletine, encainide, flecainide and lorcainide. The American journal of cardiology, Sep-22, Volume: 52, Issue: 6	1983
Altered pharmacokinetics of oral flecainide by cimetidine. British journal of clinical pharmacology, Volume: 22, Issue: 1	1986
Rectal absorption of flecainide acetate. European journal of clinical pharmacology, Volume: 35, Issue: 1	1988
Abnormal pharmacokinetics of flecainide in a "nonresponder". Clinical cardiology, Volume: 11, Issue: 5	1988
Encainide hydrochloride and flecainide acetate: two class 1c antiarrhythmic agents. Clinical pharmacy, Volume: 6, Issue: 11	1987
Plasma flecainide concentrations following acute myocardial infarction. International journal of cardiology, Volume: 15, Issue: 3	1987
Flecainide: single and multiple oral dose kinetics, absolute bioavailability and effect of food and antacid in man. British journal of clinical pharmacology, Volume: 22, Issue: 3	1986
Absorption kinetics of oral and rectal flecainide in healthy subjects. European journal of clinical pharmacology, Volume: 38, Issue: 6	1990
Primary and secondary detoxification in severe flecainide intoxication. Intensive care medicine, Volume: 17, Issue: 3	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Flecainide administration in children: dosage, drug levels, and clinical effect. Cardiology in the young, Volume: 33, Issue: 10	2023
Flecainide poisoning and prolongation of elimination due to alkalinization. The American journal of emergency medicine, Volume: 56	2022
THN 102 for Excessive Daytime Sleepiness Associated with Parkinson's Disease: A Phase 2a Trial. Movement disorders : official journal of the Movement Disorder Society, Volume: 37, Issue: 2	2022
Flecainide-induced AV dyssynchrony and atrial latency progression in a patient with a dual-chamber pacemaker. Journal of cardiovascular electrophysiology, Volume: 32, Issue: 7	2021
"Second line medications" for supraventricular arrhythmias in children: In-hospital efficacy and adverse events during treatment initiation of sotalol and flecainide. Journal of cardiovascular electrophysiology, Volume: 32, Issue: 8	2021
The Efficacy of Anti-Arrhythmic Drugs in Children With Idiopathic Frequent Symptomatic or Asymptomatic Premature Ventricular Complexes With or Without Asymptomatic Ventricular Tachycardia: a Retrospective Multi-Center Study. Pediatric cardiology, Volume: 42, Issue: 4	2021
Telemetered common marmosets is useful for the assessment of electrocardiogram parameters changes induced by multiple cardiac ion channel inhibitors. The Journal of toxicological sciences, Volume: 44, Issue: 7	2019
Rapid Quantitation of Flecainide in Human Plasma for Therapeutic Drug Monitoring Using Liquid Chromatography and Time-of-Flight Mass Spectrometry. Therapeutic drug monitoring, Volume: 41, Issue: 3	2019
[Use of Pharmacogenetic Information for Therapeutic Drug Monitoring of an Antiarrhythmic Drug]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, Volume: 138, Issue: 9	2018
Flecainide Reduces Ventricular Arrhythmias in Patients With Genotype RyR2-positive Catecholaminergic Polymorphic Ventricular Tachycardia. Revista espanola de cardiologia (English ed.), Volume: 71, Issue: 3	2018
Efficacy of Flecainide in the Treatment of Catecholaminergic Polymorphic Ventricular Tachycardia: A Randomized Clinical Trial. JAMA cardiology, 07-01, Volume: 2, Issue: 7	2017
Advances in the diagnosis and treatment of catecholaminergic polymorphic ventricular tachycardia. Cardiology in the young, Volume: 27, Issue: S1	2017
Nadolol for Treatment of Supraventricular Tachycardia in Infants and Young Children. Pediatric cardiology, Volume: 38, Issue: 3	2017
Brugada Pattern Caused by a Flecainide Overdose. The Journal of emergency medicine, Volume: 52, Issue: 4	2017
Development of a novel physico-chemically and microbiologically stable oral solution of flecainide for pediatrics. Pharmaceutical development and technology, Volume: 23, Issue: 10	2018
Stability-indicating chromatographic methods for determination of flecainide acetate in the presence of its degradation products; isolation and identification of two of its impurities. Biomedical chromatography : BMC, Volume: 30, Issue: 10	2016
Narrow therapeutic index drugs: a clinical pharmacological consideration to flecainide. European journal of clinical pharmacology, Volume: 71, Issue: 5	2015
Correlation of maternal flecainide concentrations and therapeutic effect in fetal supraventricular tachycardia. Heart rhythm, Volume: 11, Issue: 11	2014
Detecting drug-induced prolongation of the QRS complex: new insights for cardiac safety assessment. Toxicology and applied pharmacology, Dec-01, Volume: 265, Issue: 2	2012
A case of near-fatal flecainide overdose in a neonate successfully treated with sodium bicarbonate. The Journal of emergency medicine, Volume: 44, Issue: 4	2013
A novel method of fetal cardioversion. Pediatric cardiology, Volume: 34, Issue: 3	2013
Changes in the QTc interval after administration of flecainide acetate, with and without coadministered paroxetine, in relation to cytochrome P450 2D6 genotype: data from an open-label, two-period, single-sequence crossover study in healthy Korean male su Clinical therapeutics, Volume: 32, Issue: 4	2010
Relationship between subjective symptoms and trans-telephonic ECG findings in patients with symptomatic paroxysmal atrial fibrillation and flutter. Journal of cardiology, Volume: 52, Issue: 2	2008
Diagnosis, treatment, observation and outcome of fetal supraventricular tachycardia in a twin pregnancy. Fetal diagnosis and therapy, Volume: 24, Issue: 4	2008
Haemolysis alters plasma flecainide levels in newborn infants. Acta paediatrica (Oslo, Norway : 1992), Volume: 96, Issue: 3	2007
Dose-response effect of flecainide in patients with symptomatic paroxysmal atrial fibrillation and/or flutter monitored with trans-telephonic electrocardiography: a multicenter, placebo-controlled, double-blind trial. Circulation journal : official journal of the Japanese Circulation Society, Volume: 71, Issue: 3	2007
Fetal and maternal magnetocardiography during flecainide therapy for supraventricular tachycardia. Obstetrics and gynecology, Volume: 108, Issue: 3 Pt 2	2006
[Flecainide controlled-release for prevention of atrial fibrillation relapse]. Archives des maladies du coeur et des vaisseaux, Volume: 99, Issue: 2	2006
Actions of flecainide on susceptibility to phase-2 ventricular arrhythmias during infarct evolution in rat isolated perfused hearts. British journal of pharmacology, Volume: 147, Issue: 5	2006
Absorption kinetics and pharmacodynamics of two oral dosage forms of flecainide in patients with an episode of paroxysmal atrial fibrillation. European journal of clinical pharmacology, Volume: 60, Issue: 10	2004
Use of intravenous flecainide in horses with naturally-occurring atrial fibrillation. Equine veterinary journal, Volume: 36, Issue: 7	2004
Pharmacokinetics and electrocardiographic effects of a new controlled-release form of flecainide acetate: comparison with the standard form and influence of the CYP2D6 polymorphism. Clinical pharmacology and therapeutics, Volume: 72, Issue: 2	2002
Limited antifibrillatory effectiveness of clinically relevant concentrations of class I antiarrhythmics in isolated perfused rat hearts. Journal of cardiovascular pharmacology, Volume: 39, Issue: 3	2002
Measurement of flecainide in hair as an index of drug exposure. Journal of pharmaceutical sciences, Volume: 90, Issue: 11	2001
Determination of oral dosage and pharmacokinetic analysis of flecainide in horses. The Journal of veterinary medical science, Volume: 63, Issue: 5	2001
The actions of ibutilide and class Ic drugs on the slow sodium channel: new insights regarding individual pharmacologic effects elucidated through combination therapies. Journal of cardiovascular pharmacology and therapeutics, Volume: 5, Issue: 3	2000
Safe and efficacious dosage of flecainide acetate for treating equine atrial fibrillation. The Journal of veterinary medical science, Volume: 62, Issue: 7	2000
[Iatrogenic acute renal failure caused by overdosage of flecainide acetate]. Presse medicale (Paris, France : 1983), Oct-03, Volume: 27, Issue: 29	1998
Pharmacologic management of supraventricular tachycardias in children. Part 1: Wolff-Parkinson-White and atrioventricular nodal reentry. The Annals of pharmacotherapy, Volume: 31, Issue: 10	1997
[Comparative study of cibenzoline and flecainide by oral route for preventing recurrence of paroxysmal atrial tachyarrhythmias]. Annales de cardiologie et d'angeiologie, Volume: 46, Issue: 2	1997
Stability of baclofen, captopril, diltiazem hydrochloride, dipyridamole, and flecainide acetate in extemporaneously compounded oral liquids. American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, Sep-15, Volume: 53, Issue: 18	1996
Effects of flecainide, encainide, and clofilium on ventricular refractory period extension by transcardiac shocks. Pacing and clinical electrophysiology : PACE, Volume: 19, Issue: 1	1996
[Propafenone and flecainide in the therapy of ventricular arrhythmias]. Minerva cardioangiologica, Volume: 43, Issue: 10	1995
Efficacy and safety of long-term oral flecainide acetate in patients with responsive supraventricular tachycardia. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
Comparison of the safety and efficacy of flecainide versus propafenone in hospital out-patients with symptomatic paroxysmal atrial fibrillation/flutter. The Flecainide AF French Study Group. The American journal of cardiology, Jan-25, Volume: 77, Issue: 3	1996
4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents. Journal of medicinal chemistry, Oct-29, Volume: 36, Issue: 22	1993
Treatment with flecainide for symptomatic and refractory tachyarrhythmias in children. Acta paediatrica Japonica : Overseas edition, Volume: 36, Issue: 1	1994
Flecainide acetate: concentration-response relationships for antiarrhythmic and electrocardiographic effects. International journal of clinical pharmacology research, Volume: 13, Issue: 4	1993
Variable disposition kinetics and electrocardiographic effects of flecainide during repeated dosing in humans: contribution of genetic factors, dose-dependent clearance, and interaction with amiodarone. Clinical pharmacology and therapeutics, Volume: 55, Issue: 3	1994
Flecainide distribution, transplacental passage, and accumulation in the amniotic fluid during the third trimester of pregnancy. The Annals of pharmacotherapy, Volume: 28, Issue: 9	1994
Differences in amiodarone, digoxin, flecainide and sotalol concentrations between antemortem serum and femoral postmortem blood. Human & experimental toxicology, Volume: 14, Issue: 7	1995
Relationship between plasma concentrations and suppression of ventricular extrasystoles by flecainide acetate (R-818), a new antiarrhythmic, in patients. Arzneimittel-Forschung, Volume: 32, Issue: 2	1982
Suppression of ventricular ectopic depolarizations by flecainide acetate, a new antiarrhythmic agent. Circulation, Volume: 65, Issue: 5	1982
Oral flecainide acetate for the treatment of ventricular arrhythmias. The New England journal of medicine, Aug-27, Volume: 305, Issue: 9	1981
Flecainide-induced aggravation of ventricular tachycardia. Clinical cardiology, Volume: 6, Issue: 3	1983
Use of flecainide acetate in the treatment of premature ventricular contractions. American heart journal, Volume: 105, Issue: 2	1983
Experience with electrophysiologically guided therapy of ventricular tachycardia with flecainide: summary of long-term follow-up. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
Flecainide dose-response relations in stable ventricular arrhythmias. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
Interaction of flecainide with digoxin and propranolol. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
Flecainide: one-year efficacy in patients with chronic ventricular arrhythmias. European heart journal, Volume: 5, Issue: 10	1984
[Flecainide: a new antiarrhythmic agent]. Archives des maladies du coeur et des vaisseaux, Volume: 76, Issue: 10	1983
Metabolism of flecainide. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
A proposal for the clinical use of flecainide. The American journal of cardiology, Feb-27, Volume: 53, Issue: 5	1984
New directions in antiarrhythmic drug therapy. The American journal of cardiology, Aug-13, Volume: 54, Issue: 4	1984
Flecainide pharmacokinetics in healthy volunteers: the influence of urinary pH. British journal of clinical pharmacology, Volume: 20, Issue: 4	1985
Conversion of supraventricular arrhythmias to sinus rhythm using flecainide. European heart journal, Volume: 6, Issue: 6	1985
Antiarrhythmic therapy with flecainide in combination and comparison with propranolol. Drugs, Volume: 29 Suppl 4	1985
Effect of flecainide on cardiac output. Clinical pharmacology and therapeutics, Volume: 37, Issue: 3	1985
Flecainide: long-term treatment using a reduced dosing schedule. The American journal of cardiology, Jan-01, Volume: 55, Issue: 1	1985
Flecainide: a new class Ic antidysrhythmic. Drug intelligence & clinical pharmacy, Volume: 19, Issue: 10	1985
Hemodynamic dose-response effects of flecainide in acute myocardial infarction with and without left ventricular decompensation. Clinical pharmacology and therapeutics, Volume: 37, Issue: 6	1985
Efficacy of flecainide in the management of ventricular arrhythmias: comparative study with amiodarone. American heart journal, Volume: 109, Issue: 3 Pt 1	1985
Flecainide. A preliminary review of its pharmacodynamic properties and therapeutic efficacy. Drugs, Volume: 29, Issue: 1	1985
Flecainide in the treatment of nonsustained ventricular tachycardia. Annals of internal medicine, Volume: 105, Issue: 4	1986
Classification by type of ventricular arrhythmia predicts frequency of adverse cardiac events from flecainide. Journal of the American College of Cardiology, Volume: 8, Issue: 3	1986
Exercise-induced ventricular tachycardia as a manifestation of flecainide toxicity. International journal of cardiology, Volume: 11, Issue: 3	1986
Pharmacodynamics and side effects of flecainide acetate. Clinical pharmacology and therapeutics, Volume: 40, Issue: 1	1986
Treatment of resistant ventricular tachycardia with flecainide acetate. Flecainide Ventricular Tachycardia Study Group. The American journal of cardiology, Jun-01, Volume: 57, Issue: 15	1986
[Modification of hemodynamics by intravenous administration of flecainide]. Zeitschrift fur Kardiologie, Volume: 75, Issue: 3	1986
Flecainide: a new agent for the treatment of ventricular arrhythmias. The American journal of the medical sciences, Volume: 292, Issue: 3	1986
Flecainide pharmacokinetics after multiple dosing in patients with impaired renal function. Journal of clinical pharmacology, Volume: 28, Issue: 8	1988
Encainide versus flecainide for chronic atrial and junctional ectopic tachycardia. The American journal of cardiology, Dec-20, Volume: 62, Issue: 19	1988
[Therapy of paroxysmal atrial fibrillation. Cardiac glycosides alone or combined with anti-arrhythmia agents?]. Deutsche medizinische Wochenschrift (1946), Dec-02, Volume: 113, Issue: 48	1988
Pharmacokinetics of flecainide in patients with cirrhosis of the liver. Clinical pharmacology and therapeutics, Volume: 44, Issue: 5	1988
Long-term efficacy and safety of flecainide for supraventricular tachycardia. The American journal of cardiology, Aug-25, Volume: 62, Issue: 6	1988
Pharmacokinetics of flecainide in a patient undergoing continuous ambulatory peritoneal dialysis. Journal of clinical pharmacy and therapeutics, Volume: 13, Issue: 2	1988
Long term evaluation of flecainide acetate in supraventricular tachyarrhythmias. Acta cardiologica, Volume: 43, Issue: 1	1988
The development and testing of intravenous dosing regimens: application to flecainide for the suppression of ventricular arrhythmias. Clinical pharmacology and therapeutics, Volume: 43, Issue: 5	1988
Oral flecainide pharmacokinetics in patients with impaired renal function. Journal of clinical pharmacology, Volume: 28, Issue: 3	1988
Pharmacokinetics of flecainide acetate in patients with severe renal impairment. Clinical pharmacology and therapeutics, Volume: 43, Issue: 4	1988
Flecainide acetate: critical care administration guidelines. Heart & lung : the journal of critical care, Volume: 17, Issue: 1	1988
Encainide hydrochloride and flecainide acetate: two class 1c antiarrhythmic agents. Clinical pharmacy, Volume: 6, Issue: 11	1987
[Elevated plasma flecainide concentrations in heart failure]. Deutsche medizinische Wochenschrift (1946), Oct-30, Volume: 112, Issue: 44	1987
Effect of flecainide on left ventricular ejection fraction. European heart journal, Volume: 8, Issue: 7	1987
[Oral flecainide in the treatment of refractory arrhythmias. Long-term follow-up of 98 patients]. Archives des maladies du coeur et des vaisseaux, Volume: 80, Issue: 3	1987
Flecainide and encainide. European heart journal, Volume: 8 Suppl A	1987
Risk factors for the development of proarrhythmic events. The American journal of cardiology, Apr-30, Volume: 59, Issue: 11	1987
Flecainide acetate for conversion of acute supraventricular tachycardia to sinus rhythm. The American journal of cardiology, Mar-01, Volume: 59, Issue: 6	1987
Effect of flecainide acetate on prevention of electrical induction of ventricular tachycardia and occurrence of ischemic ventricular fibrillation during the early postmyocardial infarction period: evaluation in a conscious canine model of sudden death. Journal of the American College of Cardiology, Volume: 9, Issue: 2	1987
Flecainide: single and multiple oral dose kinetics, absolute bioavailability and effect of food and antacid in man. British journal of clinical pharmacology, Volume: 22, Issue: 3	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Delirium in a patient with toxic flecainide plasma concentrations: the role of a pharmacokinetic drug interaction with paroxetine. The Annals of pharmacotherapy, Volume: 43, Issue: 7	2009
Drug-drug interactions between antiarrhythmic drugs in chick embryos. Biological & pharmaceutical bulletin, Volume: 27, Issue: 1	2004
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

flecainide

Description

Cross-References

Synonyms (124)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (1)

Drug Classes (4)

Pathways (1)

Protein Targets (21)

Potency Measurements

Inhibition Measurements

Biological Processes (165)

Molecular Functions (69)

Ceullar Components (54)

Bioassays (203)

Research

Studies (1,774)

Study Types

Clinical Trials (44)

Trial Overview

Trial Outcomes

14-item Fatigue Scale

Beck Depression Inventory (BDI)

Epworth Sleepiness Scale (ESS)

EQ-5D European Quality of Life EQ-5D (Visual Analogic Scale Part)

Questionnaire EQ-5D (European Quality of Life EQ-5D) (Questionnaire Part)

Acute Procedural Success (APS)

Cryoablation Procedure Events (CPEs)

Freedom From Chronic Treatment Failure (CTF)

Freedom From Major Atrial Fibrillation Events (MAFEs)

Treatment Success

Number of Patients With Ventricular Ectopy or VT During Exercise Treadmill Testing

Change in Baroreflex Gain

Change in Mean Arterial Pressure

Change in Muscle Sympathetic Nerve Activity

Composite Endpoint: Atrial Arrhythmias Lasting >24 Hrs or Requiring Antiarrhythmic Drug Therapy; Need for Cardioversion/Repeat Ablation During the Study Period; Adverse Outcome/Intolerance of Antiarrhythmic Agent Requiring Cessation or Change of Drug

Freedom From Atrial Arrhythmia at 6 Months Post Procedure.

Related Drugs (3,672)

Related Conditions (1,633)

Research Highlights

Safety/Toxicity (71)

Long-term Use (9)

Pharmacokinetics (47)

Bioavailability (23)

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Interactions (2)