drugs.csv

generic_name,cns_drug,smiles
Abacavir,FALSE,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1
Abarelix,FALSE,
Abatacept,FALSE,
Abciximab,FALSE,
Abiraterone,FALSE,CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C4=CN=CC=C4)C3CC=C2C1
Acamprosate,TRUE,CC(=O)NCCCS(O)(=O)=O
Acarbose,FALSE,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Acebutolol,FALSE,CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1
Acenocoumarol,FALSE,CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O
Acepromazine,FALSE,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O
Aceprometazine,FALSE,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C
Acetaminophen,TRUE,CC(=O)NC1=CC=C(O)C=C1
Acetazolamide,FALSE,CC(=O)NC1=NN=C(S1)S(N)(=O)=O
Acetic acid,FALSE,CC([O-])=O
Acetohexamide,FALSE,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
Acetohydroxamic Acid,FALSE,CC(=O)NO
Acetophenazine,FALSE,CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1
Acetylcysteine,FALSE,CC(=O)N[C@@H](CS)C(O)=O
Acetyldigitoxin,FALSE,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1
Acetylsalicylic acid,FALSE,CC(=O)OC1=CC=CC=C1C(O)=O
Acitretin,FALSE,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1
Aclidinium,FALSE,[Br-].OC(C(=O)OC1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1
Acyclovir,FALSE,NC1=NC(=O)C2=C(N1)N(COCCO)C=N2
Adalimumab,FALSE,
Adapalene,FALSE,COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
Adefovir Dipivoxil,FALSE,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C
Adenine,FALSE,NC1=C2NC=NC2=NC=N1
Adenosine,FALSE,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1
Adenosine monophosphate,FALSE,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
Adenosine triphosphate,FALSE,NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
Adinazolam,FALSE,CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
ado-trastuzumab emtansine,FALSE,
Afatinib,FALSE,CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1
Aflibercept,FALSE,
Agalsidase beta,FALSE,
Agomelatine,FALSE,COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1
Ajmaline,FALSE,CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O
Albendazole,FALSE,CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2
Alcaftadine,FALSE,CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12
Alclometasone,FALSE,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C
Aldesleukin,FALSE,
Alefacept,FALSE,
Alemtuzumab,FALSE,
Alendronate,FALSE,NCCCC(O)(P(O)(O)=O)P(O)(O)=O
Alfacalcidol,FALSE,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Alfentanil,TRUE,CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O
Alfuzosin,FALSE,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N(C)CCCNC(=O)C1CCCO1
Alglucerase,FALSE,
Alglucosidase alfa,FALSE,
Aliskiren,FALSE,COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1
Alitretinoin,FALSE,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O
Alizapride,FALSE,COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C
Allopurinol,FALSE,O=C1N=CN=C2NNC=C12
Allylestrenol,FALSE,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
Almitrine,FALSE,FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1
Almotriptan,TRUE,CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2
Alogliptin,FALSE,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Alosetron,FALSE,CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2
Alpha-1-proteinase inhibitor,FALSE,
Alpha-Linolenic Acid,FALSE,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Alprazolam,TRUE,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
Alprenolol,FALSE,CC(C)NCC(O)COC1=CC=CC=C1CC=C
Alprostadil,FALSE,CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Alseroxylon,FALSE,
Alteplase,FALSE,
Altretamine,FALSE,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C
Aluminium,FALSE,[Al]
Aluminum hydroxide,FALSE,[OH-].[OH-].[OH-].[Al+3]
Alverine,FALSE,CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1
Alvimopan,FALSE,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1
Amantadine,TRUE,NC12CC3CC(CC(C3)C1)C2
Ambenonium,TRUE,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl
Amcinonide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC1(CCCC1)O2)C(=O)COC(C)=O
Amdinocillin,FALSE,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1
Amifostine,FALSE,NCCCNCCSP(O)(O)=O
Amikacin,FALSE,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
Amiloride,FALSE,NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1
Aminocaproic Acid,FALSE,NCCCCCC(O)=O
Aminoglutethimide,FALSE,CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1
Aminohippurate,FALSE,NC1=CC=C(C=C1)C(=O)NCC(O)=O
Aminolevulinic acid,FALSE,NCC(=O)CCC(O)=O
Aminophenazone,FALSE,CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
Aminophylline,FALSE,NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O
Aminosalicylic Acid,FALSE,NC1=CC(O)=C(C=C1)C(O)=O
Amiodarone,FALSE,CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1
Amisulpride,FALSE,CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC
Amitriptyline,TRUE,CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
Amlexanox,FALSE,CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1
Amlodipine,FALSE,CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC
Ammonium lactate,FALSE,[NH4+].CC(O)C([O-])=O
Amobarbital,FALSE,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
Amodiaquine,FALSE,CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1
Amoxapine,TRUE,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1
Amoxicillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
Amphetamine,TRUE,CC(N)CC1=CC=CC=C1
Amphotericin B,FALSE,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
Ampicillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
Amprenavir,FALSE,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
Amrinone,FALSE,NC1=CC(=CNC1=O)C1=CC=NC=C1
Amsacrine,FALSE,COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1
Amyl Nitrite,FALSE,CCCCCON=O
Anagrelide,FALSE,ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl
Anakinra,FALSE,
Anastrozole,FALSE,CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N
Anidulafungin,FALSE,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O
Anileridine,FALSE,CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1
Anisindione,FALSE,COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O
Anisotropine Methylbromide,FALSE,[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C
Anistreplase,FALSE,
Antazoline,FALSE,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1
Antihemophilic Factor,FALSE,
Antipyrine,FALSE,CN1N(C(=O)C=C1C)C1=CC=CC=C1
Antithymocyte globulin,FALSE,
Antrafenine,FALSE,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1
Apixaban,FALSE,COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O
Apomorphine,TRUE,[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23
Apraclonidine,FALSE,NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1
Aprepitant,TRUE,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Aprindine,FALSE,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1
Aprobarbital,FALSE,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O
Aprotinin,FALSE,
Arbekacin,FALSE,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
Arbutamine,FALSE,O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1
Arcitumomab,FALSE,
Ardeparin,FALSE,CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O
Arformoterol,FALSE,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1
Argatroban,FALSE,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2
Aripiprazole,TRUE,ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl
Arsenic trioxide,FALSE,O1[As]2O[As]1O2
Artemether,FALSE,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4
Asenapine,TRUE,OC(=O)\C=C/C(O)=O.CN1CC2C(C1)C1=C(OC3=CC=CC=C23)C=CC(Cl)=C1
Asparaginase,FALSE,
Asparaginase Erwinia chrysanthemi,FALSE,
Aspartame,FALSE,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O
Astemizole,FALSE,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1
Atazanavir,FALSE,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Atenolol,FALSE,CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
Atomoxetine,TRUE,CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1
Atorvastatin,FALSE,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
Atovaquone,FALSE,OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O
Atracurium,FALSE,COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1
Atropine,FALSE,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1
Attapulgite,FALSE,
Auranofin,FALSE,CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Avanafil,FALSE,COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1
Axitinib,FALSE,
Azacitidine,FALSE,NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Azatadine,FALSE,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2
Azathioprine,FALSE,CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O
Azelaic Acid,FALSE,OC(=O)CCCCCCCC(O)=O
Azelastine,FALSE,CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
Azidocillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O
Azilsartan medoxomil,FALSE,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1
Azithromycin,FALSE,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Azlocillin,FALSE,[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1
Aztreonam,FALSE,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O
Bacampicillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC
Bacitracin,FALSE,CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC
Baclofen,TRUE,NCC(CC(O)=O)C1=CC=C(Cl)C=C1
Balsalazide,FALSE,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O
Bambuterol,FALSE,CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
Basiliximab,FALSE,
Becaplermin,FALSE,
Beclometasone dipropionate,FALSE,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Bedaquiline,FALSE,COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2
Belatacept,FALSE,
Belimumab,FALSE,
Benazepril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O
Bendroflumethiazide,FALSE,NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F
Bentiromide,FALSE,OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1
Bentoquatam,FALSE,O.O=[Si]=O.O=[Al]O[Al]=O
Benzatropine,TRUE,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C
Benzocaine,FALSE,CCOC(=O)C1=CC=C(N)C=C1
Benzonatate,FALSE,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Benzphetamine,FALSE,C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1
Benzquinamide,FALSE,CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O
Benzthiazide,FALSE,NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1
Benzyl alcohol,FALSE,OCC1=CC=CC=C1
Benzyl Benzoate,FALSE,O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
Benzylpenicilloyl Polylysine,FALSE,
Bepotastine,FALSE,OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
Bepridil,FALSE,CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1
Besifloxacin,FALSE,N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O
Betahistine,FALSE,CNCCC1=CC=CC=N1
Betamethasone,FALSE,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Betaxolol,FALSE,CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
Betazole,FALSE,NCCC1=CC=NN1
Bethanechol,FALSE,CC(C[N+](C)(C)C)OC(N)=O
Bethanidine,FALSE,CN\C(NCC1=CC=CC=C1)=N/C
Bevacizumab,FALSE,
Bevantolol,FALSE,COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1
Bexarotene,FALSE,CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C
Bezafibrate,FALSE,CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
Bicalutamide,FALSE,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
Bifonazole,FALSE,C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
Bimatoprost,FALSE,CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1
Biotin,FALSE,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
Biperiden,FALSE,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1
Bismuth Subsalicylate,FALSE,O[Bi]1OC(=O)C2=CC=CC=C2O1
Bisoprolol,FALSE,CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
Bivalirudin,FALSE,
Bleomycin,FALSE,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C
Boceprevir,FALSE,[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C
Bopindolol,FALSE,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1
Bortezomib,FALSE,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O
Bosentan,FALSE,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1
Bosutinib,FALSE,COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
Botulinum Toxin Type A,FALSE,
Botulinum Toxin Type B,FALSE,
BRENTUXIMAB VEDOTIN,FALSE,
Bretylium,FALSE,CC[N+](C)(C)CC1=CC=CC=C1Br
Brimonidine,FALSE,BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12
Brinzolamide,FALSE,CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
Bromazepam,FALSE,BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1
Bromfenac,FALSE,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1
Bromocriptine,TRUE,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C
Bromodiphenhydramine,FALSE,CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1
Brompheniramine,FALSE,CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1
Buclizine,FALSE,CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1
Budesonide,FALSE,[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Bumetanide,FALSE,CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O
Bupivacaine,FALSE,CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C
Bupranolol,FALSE,CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
Buprenorphine,TRUE,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4
Bupropion,TRUE,CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1
Buserelin,FALSE,
Buspirone,TRUE,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1
Busulfan,FALSE,CS(=O)(=O)OCCCCOS(C)(=O)=O
Butabarbital,FALSE,CCC(C)C1(CC)C(=O)NC(=O)NC1=O
Butalbital,TRUE,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O
Butenafine,FALSE,CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12
Butethal,FALSE,CCCCC1(CC)C(=O)NC(=O)NC1=O
Butoconazole,FALSE,ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
Butorphanol,TRUE,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1
Cabazitaxel,FALSE,[H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O
Cabergoline,FALSE,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC
Cabozantinib,FALSE,
Caffeine,TRUE,CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Calcidiol,FALSE,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Calcipotriol,FALSE,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1
Calcitriol,FALSE,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Calcium Acetate,FALSE,[Ca++].CC([O-])=O.CC([O-])=O
Calcium carbonate,FALSE,
Calcium Chloride,FALSE,[Cl-].[Cl-].[Ca++]
Calcium Gluceptate,FALSE,[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O
Camazepam,FALSE,CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O
Canagliflozin,FALSE,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1
Canakinumab,FALSE,
Candesartan,FALSE,CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
Candicidin,FALSE,CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1
Candoxatril,FALSE,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1
Capecitabine,FALSE,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
Capreomycin,FALSE,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O
Capromab,FALSE,
Captopril,FALSE,C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Carbachol,FALSE,[Cl-].C[N+](C)(C)CCOC(N)=O
Carbamazepine,TRUE,NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12
Carbenicillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O
Carbetocin,FALSE,[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Carbidopa,TRUE,O.C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O
Carbimazole,FALSE,CCOC(=O)N1C=CN(C)C1=S
Carbinoxamine,FALSE,CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
Carboplatin,FALSE,N.N.O=C1O[Pt]OC(=O)C11CCC1
Carboprost Tromethamine,FALSE,OCC([NH3+])(CO)CO.CCCCC[C@@](O)(C)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)[O-]
Carfilzomib,FALSE,CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Carglumic Acid,FALSE,NC(=O)N[C@@H](CCC(O)=O)C(O)=O
Carisoprodol,TRUE,CCCC(C)(COC(N)=O)COC(=O)NC(C)C
Carmustine,FALSE,ClCCNC(=O)N(CCCl)N=O
Carphenazine,FALSE,CCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1
Carprofen,FALSE,CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1
Carteolol,FALSE,CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2
Carvedilol,FALSE,COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2
Caspofungin,FALSE,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN
Cefacetrile,FALSE,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O
Cefaclor,FALSE,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
Cefadroxil,FALSE,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
Cefalotin,FALSE,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O
Cefamandole,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O
Cefazolin,FALSE,[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O
Cefdinir,FALSE,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O
Cefditoren,FALSE,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Cefepime,FALSE,CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1
Cefixime,FALSE,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O
Cefmenoxime,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Cefmetazole,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O
Cefonicid,FALSE,[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O
Cefoperazone,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O
Ceforanide,FALSE,[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O
Cefotaxime,FALSE,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Cefotetan,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O
Cefotiam,FALSE,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O
Cefoxitin,FALSE,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O
Cefpiramide,FALSE,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O
Cefpodoxime,FALSE,[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Cefprozil,FALSE,[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
Cefradine,FALSE,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O
Ceftaroline fosamil,FALSE,[H][C@]12SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N\OCC)\C1=NSC(NP(O)(O)=O)=N1)C([O-])=O
Ceftazidime,FALSE,[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1
Ceftibuten,FALSE,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O
Ceftizoxime,FALSE,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Ceftriaxone,FALSE,[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
Cefuroxime,FALSE,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O
Celecoxib,TRUE,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F
Cephalexin,FALSE,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
Cephaloglycin,FALSE,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
Cephapirin,FALSE,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O
Certolizumab pegol,FALSE,
Cerulenin,FALSE,CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O
Ceruletide,FALSE,[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
Cetirizine,FALSE,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
Cetrorelix,FALSE,CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Cetuximab,FALSE,
Cevimeline,FALSE,CC1O[C@@]2(CS1)CN1CCC2CC1
Chenodeoxycholic acid,FALSE,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Chlophedianol,FALSE,CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl
Chlorambucil,FALSE,OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
Chloramphenicol,FALSE,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
Chlordiazepoxide,TRUE,CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1
Chlorhexidine,FALSE,ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
Chlormerodrin,FALSE,COC(CNC(N)=O)C[Hg]Cl
Chlormezanone,FALSE,CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O
Chloroprocaine,FALSE,CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1
Chloropyramine,FALSE,CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1
Chloroquine,FALSE,CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1
Chlorothiazide,FALSE,NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1
Chlorotrianisene,FALSE,COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1
Chloroxine,FALSE,OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2
Chlorphenesin,FALSE,OCC(O)COC1=CC=C(Cl)C=C1
Chlorpheniramine,FALSE,CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
Chlorpromazine,TRUE,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2
Chlorpropamide,FALSE,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1
Chlorprothixene,FALSE,[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2
Chlorthalidone,FALSE,NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12
Chlorzoxazone,TRUE,ClC1=CC2=C(OC(=O)N2)C=C1
Cholecalciferol,FALSE,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Cholestyramine,FALSE,
Choline,TRUE,C[N+](C)(C)CCO
Choriogonadotropin alfa,FALSE,
Ciclesonide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C1CCCCC1)C(=O)COC(=O)C(C)C
Ciclopirox,FALSE,CC1=CC(=O)N(O)C(=C1)C1CCCCC1
Cidofovir,FALSE,NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1
Cilastatin,FALSE,N[C@@H](CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O
Cilazapril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O
Cilostazol,FALSE,O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2
Cimetidine,FALSE,C\N=C(\NCCSCC1=C(C)NC=N1)NC#N
Cinacalcet,FALSE,C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12
Cinalukast,FALSE,CCC(CC)(CC(=O)NC1=CC=CC(\C=C\C2=NC(=CS2)C2CCC2)=C1)C(O)=O
Cinitapride,FALSE,CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O
Cinnarizine,FALSE,C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
Cinolazepam,FALSE,OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O
Cinoxacin,FALSE,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12
Ciprofloxacin,FALSE,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
Cisapride,FALSE,CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC
Cisatracurium Besylate,FALSE,[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C=C2)C=C1
Cisplatin,FALSE,N[Pt](N)(Cl)Cl
Citalopram,TRUE,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
Cladribine,FALSE,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1
Clarithromycin,FALSE,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC
Clavulanate,FALSE,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO
Clemastine,FALSE,CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
Clenbuterol,FALSE,CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
Clevidipine,FALSE,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC
Clidinium,FALSE,C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
Clindamycin,FALSE,CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
Clobazam,TRUE,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O
Clobetasol,FALSE,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Clocortolone,FALSE,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Clodronate,FALSE,OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Clofarabine,FALSE,[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12
Clofazimine,FALSE,CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1
Clofibrate,FALSE,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
Clomifene,FALSE,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1
Clomipramine,TRUE,CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2
Clomocycline,FALSE,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O
Clonazepam,TRUE,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
Clonidine,TRUE,ClC1=CC=CC(Cl)=C1NC1=NCCN1
Clopidogrel,FALSE,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl
Clorazepate,TRUE,OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
Clotiazepam,FALSE,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl
Clotrimazole,FALSE,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Cloxacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O
Cloxazolam,FALSE,ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1
Clozapine,TRUE,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12
Coagulation Factor IX,FALSE,
Coagulation factor VIIa,FALSE,
Cocaine,FALSE,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C
Codeine,TRUE,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
Colchicine,FALSE,COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O
Colesevelam,FALSE,
Colestipol,FALSE,ClCC1CO1.NCCNCCNCCNCCN
Colistimethate,FALSE,CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O
Colistin,FALSE,[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O
Collagenase,FALSE,
Conivaptan,FALSE,CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1
Conjugated Estrogens,FALSE,[Na+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS([O-])(=O)=O)C=C3CC[C@@]21[H]
Corticotropin,FALSE,
Cortisone acetate,FALSE,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Cosyntropin,FALSE,
Creatine,FALSE,CN(CC(O)=O)C(N)=N
Crofelemer,FALSE,
Cromoglicic acid,FALSE,OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O
Crotamiton,FALSE,CCN(C(=O)C=CC)C1=CC=CC=C1C
Cryptenamine,FALSE,
Cyanocobalamin,FALSE,OC[C@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(=O)O[C@]([H])(C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co]C#N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=CC(C)=C(C)C=C12
Cyclacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O
Cyclandelate,FALSE,CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1
Cyclizine,FALSE,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
Cyclobenzaprine,TRUE,CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12
Cyclopentolate,FALSE,CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1
Cyclophosphamide,FALSE,ClCCN(CCCl)P1(=O)NCCCO1
Cycloserine,FALSE,N[C@@H]1CONC1=O
Cyclosporine,FALSE,CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Cyclothiazide,FALSE,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2
Cycrimine,FALSE,OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1
Cyproheptadine,FALSE,CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12
Cyproterone,FALSE,[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@]12[H]
Cysteamine,FALSE,NCCS
Cytarabine,FALSE,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Dabigatran etexilate,FALSE,CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1
Dabrafenib,FALSE,CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1
Dacarbazine,FALSE,CN(C)N=NC1=C(N=CN1)C(N)=O
Daclizumab,FALSE,
Dactinomycin,FALSE,[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
Dalfampridine,TRUE,NC1=CC=NC=C1
Dalfopristin,FALSE,CCN(CC)CCS(=O)(=O)[C@]1([H])CCN2C(=O)C3=COC(=N3)CC(=O)C[C@H](O)\C=C(\C)/C=C\CNC(=O)\C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12
Dalteparin,FALSE,
Danazol,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3
Dantrolene,TRUE,[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O
Dapiprazole,FALSE,CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1
Dapsone,FALSE,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1
Daptomycin,FALSE,
Darbepoetin alfa,FALSE,
Darifenacin,TRUE,NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1
Darunavir,FALSE,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1
Dasatinib,FALSE,CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
Daunorubicin,FALSE,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O
Debrisoquin,FALSE,NC(=N)N1CCC2=CC=CC=C2C1
Decamethonium,FALSE,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Decitabine,FALSE,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1
Deferasirox,FALSE,OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O
Deferiprone,FALSE,CN1C=CC(=O)C(O)=C1C
Deferoxamine,FALSE,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Defibrotide,FALSE,
Degarelix,FALSE,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCCC1C(=O)N[C@H](C)C(N)=O
Delavirdine,FALSE,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2
Delorazepam,FALSE,ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
Demecarium,FALSE,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
Demeclocycline,FALSE,[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O
Denileukin diftitox,FALSE,
Denosumab,FALSE,
Deserpidine,FALSE,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2
Desflurane,FALSE,FC(F)OC(F)C(F)(F)F
Desipramine,TRUE,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12
Deslanoside,FALSE,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
Desloratadine,FALSE,ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1
Desmopressin,FALSE,NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Desogestrel,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
Desonide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
Desoximetasone,FALSE,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Desvenlafaxine,TRUE,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1
Dexamethasone,FALSE,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Dexbrompheniramine,FALSE,CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1
Dexfenfluramine,FALSE,CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F
Dexmedetomidine,FALSE,C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1
Dexmethylphenidate,TRUE,COC(=O)[C@@H]([C@H]1CCCCN1)C1=CC=CC=C1
Dexrazoxane,FALSE,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
Dextroamphetamine,TRUE,C[C@H](N)CC1=CC=CC=C1
Dextromethorphan,TRUE,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(OC)C=C2
Dextrothyroxine,FALSE,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
Dezocine,FALSE,[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N
Diatrizoate,FALSE,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Diazepam,TRUE,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
Diazoxide,FALSE,CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2
Dibucaine,FALSE,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC
Dichlorphenamide,FALSE,NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O
Diclofenac,TRUE,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
Dicloxacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O
Dicumarol,FALSE,OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2
Dicyclomine,FALSE,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Didanosine,FALSE,OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O
Dienestrol,FALSE,CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Diethylcarbamazine,FALSE,CCN(CC)C(=O)N1CCN(C)CC1
Diethylpropion,FALSE,CCN(CC)C(C)C(=O)C1=CC=CC=C1
Diethylstilbestrol,FALSE,CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Difenoxin,FALSE,OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
Diflorasone,FALSE,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Diflunisal,TRUE,OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1
Difluprednate,FALSE,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Digitoxin,FALSE,[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
Digoxin,FALSE,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
Digoxin Immune Fab,FALSE,
Dihydrocodeine,TRUE,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O
Dihydroergotamine,TRUE,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O
Dihydroergotoxine,FALSE,CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@@H]3CC4C5=C6C(C[C@@]4([H])N(C)C3)=CNC6=CC=C5)O[C@@]21O
Dihydrotachysterol,FALSE,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C
Dihydroxyaluminium,FALSE,O.O.NCC(=O)O[Al]
Diloxanide,FALSE,CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1
Diltiazem,FALSE,COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Dimenhydrinate,FALSE,CN1C2=C([N-]C(Cl)=N2)C(=O)N(C)C1=O.C[NH+](C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
Dimercaprol,FALSE,OCC(S)CS
Dimethindene,FALSE,CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1
Dimethyl fumarate,FALSE,
Dimethyl sulfoxide,FALSE,CS(C)=O
Dinoprost Tromethamine,FALSE,OCC(N)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Dinoprostone,FALSE,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Diphemanil Methylsulfate,FALSE,COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1
Diphenhydramine,FALSE,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
Diphenidol,FALSE,OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
Diphenoxylate,FALSE,CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
Diphenylpyraline,FALSE,CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1
Dipivefrin,FALSE,CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1
Dipyridamole,FALSE,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1
Dirithromycin,FALSE,CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@@H]2C)[C@]1(C)O
Disopyramide,FALSE,CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=N1)C(C)C
Disulfiram,TRUE,CCN(CC)C(=S)SSC(=S)N(CC)CC
Dobutamine,FALSE,CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
Docetaxel,FALSE,[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1
Docosanol,FALSE,CCCCCCCCCCCCCCCCCCCCCCO
Dofetilide,FALSE,CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1
Dolasetron,TRUE,[H][C@]12CC(CC3CC(C1)C(=O)CN23)OC(=O)C1=CNC2=CC=CC=C12
Domperidone,FALSE,ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2
Donepezil,TRUE,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1
Dopamine,FALSE,NCCC1=CC(O)=C(O)C=C1
Dornase Alfa,FALSE,
Dorzolamide,FALSE,CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
Doxacurium chloride,FALSE,COC1=CC(CC2C3=C(CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC4=C(C2CC2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C(OC)C(OC)=C4)C=C(OC)C(OC)=C3OC)=CC(OC)=C1OC
Doxapram,TRUE,CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
Doxazosin,FALSE,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1
Doxepin,TRUE,[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12
Doxorubicin,FALSE,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
Doxycycline,FALSE,[H][C@@]12[C@@H](C)C3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O
Doxylamine,FALSE,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
Dronabinol,TRUE,[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21
Dronedarone,FALSE,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2
Droperidol,TRUE,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12
Drospirenone,FALSE,[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21
Drostanolone,FALSE,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C
Drotaverine,FALSE,CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1
Drotrecogin alfa,FALSE,
Droxidopa,FALSE,N[C@H]([C@@H](O)C1=CC(O)=C(O)C=C1)C(O)=O
Duloxetine,TRUE,CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1
Dutasteride,FALSE,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F
Dyclonine,FALSE,CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1
Dydrogesterone,FALSE,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C
Dyphylline,FALSE,CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O
Ecabet,FALSE,[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O
Echothiophate,FALSE,CCOP(=O)(OCC)SCC[N+](C)(C)C
Econazole,FALSE,ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Eculizumab,FALSE,
Edetic Acid,FALSE,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Edrophonium,FALSE,CC[N+](C)(C)C1=CC(O)=CC=C1
Efalizumab,FALSE,
Efavirenz,FALSE,FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1
Eletriptan,TRUE,CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2
Eltrombopag,FALSE,CC1=NN(C(=O)\C1=N/NC1=C(O)C(=CC=C1)C1=CC=CC(=C1)C(O)=O)C1=CC=C(C)C(C)=C1
Emedastine,FALSE,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1
Emtricitabine,FALSE,NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1
Enalapril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
Encainide,FALSE,COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C
Enflurane,FALSE,FC(F)OC(F)(F)C(F)Cl
Enfuvirtide,FALSE,
Enoxacin,FALSE,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1
Enoxaparin,FALSE,CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O
Enoximone,FALSE,CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1
Enprofylline,FALSE,CCCN1C2=C(NC=N2)C(=O)NC1=O
Entacapone,TRUE,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N
Entecavir,FALSE,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C
Enzalutamide,FALSE,CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F
Ephedra,FALSE,
Ephedrine,FALSE,CN[C@@H](C)[C@H](O)C1=CC=CC=C1
Epinastine,FALSE,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21
Epinephrine,FALSE,CNC[C@H](O)C1=CC(O)=C(O)C=C1
Epirubicin,FALSE,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
Eplerenone,FALSE,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC
Epoetin alfa,FALSE,
Epoprostenol,FALSE,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])CC(O2)=CCCCC(O)=O
Eprosartan,FALSE,CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O
Eptifibatide,FALSE,
Ergocalciferol,FALSE,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Ergoloid mesylate,FALSE,CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
Ergonovine,FALSE,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO
Ergotamine,TRUE,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O
Eribulin,FALSE,[H][C@@]12O[C@@]3([H])CCC4CC(=O)C[C@H]5[C@H](C[C@H]6O[C@H](C[C@@H](C)C6=C)CC[C@@H]6O[C@H](CC6=C)CC[C@@]67C[C@@H](O[C@H]1[C@@H](O6)[C@@]3([H])O4)[C@@H]2O7)O[C@H](C[C@H](O)CN)[C@@H]5OC
Erlotinib,FALSE,COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1
Ertapenem,FALSE,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Erythrityl Tetranitrate,FALSE,[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O
Erythromycin,FALSE,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Escitalopram,TRUE,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
Esmolol,FALSE,COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1
Esomeprazole,FALSE,COC1=CC2=C(NC(=N2)[S@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1
Estazolam,TRUE,ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1
Estradiol,FALSE,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Estradiol valerate/Dienogest,FALSE,[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H].[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Estramustine,FALSE,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]
Estriol,FALSE,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Estrone,FALSE,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Estropipate,FALSE,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O
Eszopiclone,TRUE,CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
Etanercept,FALSE,
Ethacrynic acid,FALSE,CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
Ethambutol,FALSE,CC[C@@H](CO)NCCN[C@@H](CC)CO
Ethanol,FALSE,CCO
Ethanolamine Oleate,FALSE,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O
Ethchlorvynol,FALSE,[H]C(Cl)=CC(O)(CC)C#C
Ethinamate,FALSE,NC(=O)OC1(CCCCC1)C#C
Ethinyl Estradiol,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Ethiodized oil,FALSE,
Ethionamide,FALSE,CCC1=NC=CC(=C1)C(N)=S
Ethopropazine,FALSE,CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12
Ethosuximide,TRUE,CCC1(C)CC(=O)NC1=O
Ethotoin,TRUE,CCN1C(=O)NC(C1=O)C1=CC=CC=C1
Ethoxzolamide,FALSE,CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O
Ethylmorphine,FALSE,[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
Ethynodiol Diacetate,FALSE,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H]
Etidronic acid,FALSE,CC(O)(P(O)(O)=O)P(O)(O)=O
Etodolac,TRUE,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1
Etomidate,FALSE,CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1
Etonogestrel,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
Etoposide,FALSE,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O
Etoricoxib,FALSE,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O
Everolimus,FALSE,CO[C@@H]1C[C@H](C[C@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O2)OC)CC[C@H]1OCCO
Exemestane,FALSE,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C
Exenatide,FALSE,
Ezetimibe,FALSE,O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1
Ezogabine,TRUE,CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1
Famciclovir,FALSE,CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O
Famotidine,FALSE,NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1
Felbamate,TRUE,NC(=O)OCC(COC(N)=O)C1=CC=CC=C1
Felodipine,FALSE,CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC
Felypressin,FALSE,
Fencamfamine,FALSE,CCNC1C2CCC(C2)C1C1=CC=CC=C1
Fenofibrate,FALSE,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
Fenoldopam,FALSE,OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12
Fenoprofen,TRUE,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1
Fenoterol,FALSE,CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
Fentanyl,TRUE,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
Ferric Carboxymaltose,FALSE,
Fesoterodine,TRUE,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C
Fexofenadine,FALSE,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
Fidaxomicin,FALSE,CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@H](O)[C@@H]2OC)\C(=O)OC(C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O
Filgrastim,FALSE,
Finasteride,FALSE,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C
Fingolimod,TRUE,CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
Flavoxate,FALSE,CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1
Flecainide,FALSE,FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1
Fleroxacin,FALSE,
Floxuridine,FALSE,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O
Flucloxacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O
Fluconazole,FALSE,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
Flucytosine,FALSE,NC1=C(F)C=NC(=O)N1
Fludarabine,FALSE,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1
Fludiazepam,FALSE,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
Fludrocortisone,FALSE,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Flumazenil,TRUE,CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1
Flumethasone Pivalate,FALSE,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C
Flunarizine,FALSE,FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
Flunisolide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
Flunitrazepam,FALSE,CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F
Fluocinolone Acetonide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
Fluocinonide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O
Fluorescein,FALSE,OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(O)C=C1
Fluorometholone,FALSE,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C
Fluorouracil,FALSE,FC1=CNC(=O)NC1=O
Fluoxetine,TRUE,CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
Fluoxymesterone,FALSE,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Flupenthixol,FALSE,[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2SC2=C1C=CC=C2)C(F)(F)F
Fluphenazine,TRUE,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1
Flurandrenolide,FALSE,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
Flurazepam,TRUE,CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
Flurbiprofen,TRUE,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1
Fluspirilene,FALSE,FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1
Flutamide,FALSE,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
Fluticasone furoate,FALSE,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Fluticasone Propionate,FALSE,[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Fluvastatin,FALSE,CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=CC=C12
Fluvoxamine,TRUE,COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
Folic Acid,FALSE,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1
Follitropin beta,FALSE,
Fomepizole,FALSE,CC1=CNN=C1
Fondaparinux sodium,FALSE,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C(O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O
Forasartan,FALSE,CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
Formestane,FALSE,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C
Formoterol,FALSE,COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1
Fosamprenavir,FALSE,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
Fosaprepitant,TRUE,C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Foscarnet,FALSE,OC(=O)P(O)(O)=O
Fosfomycin,FALSE,C[C@@H]1O[C@@H]1P(O)(O)=O
Fosinopril,FALSE,CCC(=O)OC(OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C
Fosphenytoin,TRUE,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
Fospropofol,FALSE,CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O
Framycetin,FALSE,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Frovatriptan,TRUE,CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O
Fulvestrant,FALSE,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12
Furazolidone,FALSE,[O-][N+](=O)C1=CC=C(O1)C=NN1CCOC1=O
Furosemide,FALSE,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O
Fusidic Acid,FALSE,O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@]2([H])[C@H](O)C[C@@]2([H])\C([C@@H](OC(=O)C)C[C@]32C)=C(/CCC=C(C)C)C(O)=O)[C@@H]1C
Gabapentin,TRUE,NCC1(CC(O)=O)CCCCC1
gabapentin enacarbil,TRUE,
Gadobenate Dimeglumine,FALSE,[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)C(COCC1=CC=CC=C1)C([O-])=O)CC([O-])=O)CC([O-])=O
Gadobutrol,FALSE,[Gd+3].OC[C@@H](O)[C@@H](CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1
Gadodiamide,FALSE,O.[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O
Gadofosveset trisodium,FALSE,O.[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC(COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O
Gadopentetate dimeglumine,FALSE,[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
Gadoteridol,FALSE,[Gd+3].CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1
Gadoversetamide,FALSE,[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O
Gadoxetate,FALSE,[Na+].[Na+].[Gd+3].CCOC1=CC=C(CC(CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)N(CC([O-])=O)CC([O-])=O)C=C1
Galantamine,TRUE,[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3
Gallamine Triethiodide,FALSE,[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC
Gallium nitrate,FALSE,[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O
Galsulfase,FALSE,
gamma-Homolinolenic acid,FALSE,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
Gamma Hydroxybutyric Acid,TRUE,OCCCC([O-])=O
Ganciclovir,FALSE,NC1=NC(=O)C2=C(N1)N(COC(CO)CO)C=N2
Gatifloxacin,FALSE,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1
Gefitinib,FALSE,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
Gemcitabine,FALSE,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
Gemfibrozil,FALSE,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1
Gemifloxacin,FALSE,CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O
Gemtuzumab ozogamicin,FALSE,
Gentamicin,FALSE,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1
Gentian Violet,FALSE,CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C
Gestodene,FALSE,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
Ginkgo biloba,FALSE,
Ginseng,FALSE,
Glatiramer Acetate,TRUE,
Gliclazide,FALSE,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
Glimepiride,FALSE,CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
Glipizide,FALSE,CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
Gliquidone,FALSE,COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O
Glisoxepide,FALSE,CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1
Glucagon recombinant,FALSE,
Glucarpidase,FALSE,
Glucosamine,FALSE,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
Glutathione,FALSE,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Glutethimide,FALSE,CCC1(CCC(=O)NC1=O)C1=CC=CC=C1
Glyburide,FALSE,COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
Glycerol Phenylbutyrate,FALSE,O=C(CCCC1=CC=CC=C1)OCC(COC(=O)CCCC1=CC=CC=C1)OC(=O)CCCC1=CC=CC=C1
Glycine,FALSE,NCC(O)=O
Glycodiazine,FALSE,COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1
Glycopyrrolate,FALSE,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
golimumab,FALSE,
Gonadorelin,FALSE,CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O
Goserelin,FALSE,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
Gramicidin D,FALSE,
Granisetron,TRUE,CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12
Grepafloxacin,FALSE,CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O
Griseofulvin,FALSE,COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC
Guaifenesin,FALSE,COC1=CC=CC=C1OCC(O)CO
Guanabenz,FALSE,NC(N)=NN=CC1=C(Cl)C=CC=C1Cl
Guanadrel Sulfate,FALSE,NC(N)=NCC1COC2(CCCCC2)O1
Guanethidine,FALSE,NC(N)=NCCN1CCCCCCC1
Guanfacine,TRUE,NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl
Guanidine,FALSE,NC(N)=N
Halazepam,FALSE,FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
Halobetasol Propionate,FALSE,[H][C@]1(F)CC2C3C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)C3(C)CC(O)[C@]2(F)C2(C)C=CC(=O)C=C12
Halofantrine,FALSE,CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F
Haloperidol,TRUE,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
Haloprogin,FALSE,ClC1=CC(Cl)=C(Cl)C=C1OCC#CI
Halothane,FALSE,FC(F)(F)C(Cl)Br
Heparin,FALSE,
Heptabarbital,FALSE,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1
Heroin,FALSE,[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2OC(C)=O
Hesperetin,FALSE,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
Hetacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O
Hexachlorophene,FALSE,OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl
Hexafluronium,FALSE,CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2
Hexobarbital,FALSE,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1
Hexylcaine,FALSE,CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1
Histamine Phosphate,FALSE,OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1
Homatropine Methylbromide,FALSE,[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1
Homoharringtonine,FALSE,[H][C@]12[C@H](OC(=O)C(O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@@]11CCCN1CCC1=CC3=C(OCO3)C=C21
Human Serum Albumin,FALSE,
Hyaluronan,FALSE,
Hyaluronidase,FALSE,
Hydralazine,FALSE,NNC1=NN=CC2=CC=CC=C12
Hydrochlorothiazide,FALSE,NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1
Hydrocodone,TRUE,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O
Hydrocortamate,FALSE,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Hydrocortisone,FALSE,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Hydroflumethiazide,FALSE,NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F
Hydromorphone,TRUE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O
Hydroxocobalamin,FALSE,[H]O[Co+]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)N)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO)N1C=NC2=CC(C)=C(C)C=C12)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/C(C)(C)[C@@H]3CCC(=O)N
Hydroxychloroquine,FALSE,CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1
Hydroxyproline,FALSE,O[C@@H]1CNC(C1)C(O)=O
Hydroxypropyl cellulose,FALSE,
Hydroxystilbamidine Isethionate,FALSE,OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(N)=C1C=CC(=C\C=C2\C=CC(=CC2=O)C(N)=N)C=C1
Hydroxyurea,FALSE,NC(=O)NO
Hydroxyzine,TRUE,OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
Hyoscyamine,FALSE,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1
Ibandronate,FALSE,CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
Ibritumomab,FALSE,
Ibudilast,FALSE,CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C
Ibuprofen,TRUE,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Ibutilide,FALSE,CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Icatibant,FALSE,[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Icodextrin,FALSE,
Icosapent,FALSE,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Icosapent ethyl,FALSE,CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Idarubicin,FALSE,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O
Idoxuridine,FALSE,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O
Idursulfase,FALSE,
Ifosfamide,FALSE,ClCCNP1(=O)OCCCN1CCCl
Iloperidone,TRUE,COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O
Iloprost,FALSE,CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1
Imatinib,FALSE,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1
Imiglucerase,FALSE,
Imipenem,FALSE,[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Imipramine,TRUE,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12
Imiquimod,FALSE,CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N
Indacaterol,FALSE,CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
Indapamide,FALSE,CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O
Indecainide,FALSE,CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12
Indinavir,FALSE,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
Indomethacin,TRUE,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O
Infliximab,FALSE,
Ingenol Mebutate,FALSE,OCC1=C[C@]2([H])C(=O)[C@]3(C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@]1([H])C(C)(C)[C@@]21[H]
Insulin Aspart,FALSE,
Insulin Detemir,FALSE,
Insulin Glargine,FALSE,
Insulin Glulisine,FALSE,
Insulin Lispro,FALSE,
Insulin Regular,FALSE,
Insulin, isophane,FALSE,
Insulin, porcine,FALSE,
Interferon Alfa-2a, Recombinant,FALSE,
Interferon Alfa-2b, Recombinant,FALSE,
Interferon alfa-n1,FALSE,
Interferon alfa-n3,FALSE,
Interferon alfacon-1,FALSE,
Interferon beta-1a,FALSE,
Interferon beta-1b,FALSE,
Interferon gamma-1b,FALSE,
Intravenous Immunoglobulin,FALSE,
Inulin,FALSE,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(OC[C@@]6(OC[C@@]7(OC[C@@]8(OC[C@@]9(OC[C@@]%10(OC[C@@]%11(OC[C@@]%12(OC[C@@]%13(OC[C@@]%14(OC[C@@]%15(OC[C@@]%16(OC[C@@]%17(OC[C@@]%18(OC[C@@]%19(OC[C@@]%20(OC[C@@]%21(OC[C@@]%22(OC[C@@]%23(OC[C@@]%24(OC[C@@]%25(OC[C@@]%26(OC[C@@]%27(OC[C@@]%28(OC[C@@]%29(OC[C@@]%30(OC[C@@]%31(OC[C@@]%32(OC[C@@]%33(OC[C@@]%34(OC[C@@]%35(OC[C@@]%36(OC[C@@]%37(O[C@H]%38O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%38O)O[C@H](CO)[C@@H](O)[C@@H]%37O)O[C@H](CO)[C@@H](O)[C@@H]%36O)O[C@H](CO)[C@@H](O)[C@@H]%35O)O[C@H](CO)[C@@H](O)[C@@H]%34O)O[C@H](CO)[C@@H](O)[C@@H]%33O)O[C@H](CO)[C@@H](O)[C@@H]%32O)O[C@H](CO)[C@@H](O)[C@@H]%31O)O[C@H](CO)[C@@H](O)[C@@H]%30O)O[C@H](CO)[C@@H](O)[C@@H]%29O)O[C@H](CO)[C@@H](O)[C@@H]%28O)O[C@H](CO)[C@@H](O)[C@@H]%27O)O[C@H](CO)[C@@H](O)[C@@H]%26O)O[C@H](CO)[C@@H](O)[C@@H]%25O)O[C@H](CO)[C@@H](O)[C@@H]%24O)O[C@H](CO)[C@@H](O)[C@@H]%23O)O[C@H](CO)[C@@H](O)[C@@H]%22O)O[C@H](CO)[C@@H](O)[C@@H]%21O)O[C@H](CO)[C@@H](O)[C@@H]%20O)O[C@H](CO)[C@@H](O)[C@@H]%19O)O[C@H](CO)[C@@H](O)[C@@H]%18O)O[C@H](CO)[C@@H](O)[C@@H]%17O)O[C@H](CO)[C@@H](O)[C@@H]%16O)O[C@H](CO)[C@@H](O)[C@@H]%15O)O[C@H](CO)[C@@H](O)[C@@H]%14O)O[C@H](CO)[C@@H](O)[C@@H]%13O)O[C@H](CO)[C@@H](O)[C@@H]%12O)O[C@H](CO)[C@@H](O)[C@@H]%11O)O[C@H](CO)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H](O)[C@@H]9O)O[C@H](CO)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Iobenguane,FALSE,NC(N)=NCC1=CC(I)=CC=C1
Iodipamide,FALSE,OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I
Iodixanol,FALSE,CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
Ioflupane I 123,FALSE,COC(=O)[C@@H]1C2CCC(C[C@@H]1C1=CC=C(I)C=C1)N2CCCF
Iohexol,FALSE,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
Iophendylate,FALSE,CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I
Ipratropium bromide,FALSE,[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C
Irbesartan,FALSE,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
Irinotecan,FALSE,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=C1C=C(OC(=O)N1CCC(CC1)N1CCCCC1)C=C2
Iron,FALSE,[Fe]
Iron Dextran,FALSE,
Isocarboxazid,FALSE,CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1
Isoetharine,FALSE,CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
Isoflurane,FALSE,FC(F)OC(Cl)C(F)(F)F
Isoflurophate,FALSE,CC(C)OP(F)(=O)OC(C)C
Isometheptene,TRUE,CNC(C)CCC=C(C)C
Isoniazid,FALSE,NNC(=O)C1=CC=NC=C1
Isopropamide,FALSE,CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C
Isoproterenol,FALSE,CC(C)NCC(O)C1=CC(O)=C(O)C=C1
Isosorbide Dinitrate,FALSE,[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O
Isosorbide Mononitrate,FALSE,[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O
Isothipendyl,FALSE,CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C
Isotretinoin,FALSE,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
Isradipine,FALSE,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
Itraconazole,FALSE,CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Ivacaftor,FALSE,CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C
Ivermectin,FALSE,CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C4)[C@]23O.CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)O[C@@H]1C\C=C(C)\[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC)C4)[C@@H](OC)C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H](C1)C2)[C@]34O
Ixabepilone,FALSE,C[C@H]1CCC[C@@]2(C)O[C@@]2([H])C[C@H](NC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1
Josamycin,FALSE,CO[C@H]1[C@H](OC(=O)C)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CC(C)C)[C@](C)(O)C2)[C@H](N(C)C)[C@H]1O
Kanamycin,FALSE,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Kaolin,FALSE,
Ketamine,FALSE,CNC1(CCCCC1=O)C1=CC=CC=C1Cl
Ketazolam,FALSE,CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1
Ketoconazole,FALSE,CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
Ketoprofen,TRUE,CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1
Ketorolac,TRUE,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
Ketotifen,FALSE,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
Kunecatechins,FALSE,
L-Alanine,FALSE,C[C@H](N)C(O)=O
L-Arginine,FALSE,N[C@@H](CCCNC(N)=N)C(O)=O
L-Asparagine,FALSE,N[C@@H](CC(N)=O)C(O)=O
L-Aspartic Acid,FALSE,N[C@@H](CC(O)=O)C(O)=O
L-Carnitine,FALSE,C[N+](C)(C)C[C@H](O)CC([O-])=O
L-Citrulline,FALSE,N[C@@H](CCCNC(N)=O)C(O)=O
L-Cysteine,FALSE,N[C@@H](CS)C(O)=O
L-Cystine,FALSE,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O
L-Glutamic Acid,FALSE,N[C@@H](CCC(O)=O)C(O)=O
L-Glutamine,FALSE,N[C@@H](CCC(N)=O)C(O)=O
L-Histidine,FALSE,N[C@@H](CC1=CN=CN1)C(O)=O
L-Isoleucine,FALSE,CC[C@H](C)[C@H](N)C(O)=O
L-Leucine,FALSE,CC(C)C[C@H](N)C(O)=O
L-Lysine,FALSE,NCCCC[C@H](N)C(O)=O
L-Methionine,FALSE,CSCC[C@H](N)C(O)=O
L-Ornithine,FALSE,NCCC[C@H](N)C(O)=O
L-Phenylalanine,FALSE,N[C@@H](CC1=CC=CC=C1)C(O)=O
L-Proline,FALSE,OC(=O)[C@@H]1CCCN1
L-Serine,FALSE,N[C@@H](CO)C(O)=O
L-Threonine,FALSE,C[C@@H](O)[C@H](N)C(O)=O
L-Tryptophan,FALSE,N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
L-Tyrosine,FALSE,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
L-Valine,FALSE,CC(C)[C@H](N)C(O)=O
Labetalol,FALSE,CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1
Lacosamide,TRUE,COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1
Lactulose,FALSE,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Lamivudine,FALSE,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1
Lamotrigine,TRUE,NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1
Lansoprazole,FALSE,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1
Lapatinib,FALSE,CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1
Laronidase,FALSE,
Latamoxef,FALSE,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O
Latanoprost,FALSE,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
Leflunomide,FALSE,CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F
Lenalidomide,FALSE,NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O
Lepirudin,FALSE,
Lercanidipine,FALSE,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1
Letrozole,FALSE,N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N
Leucovorin,FALSE,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1
Leuprolide,FALSE,
Levallorphan,FALSE,[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2
Levamisole,FALSE,C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1
Levetiracetam,TRUE,CC[C@@H](N1CCCC1=O)C(N)=O
Levobunolol,FALSE,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
Levobupivacaine,FALSE,CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
Levocabastine,FALSE,C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1
Levodopa,TRUE,N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O
Levofloxacin,FALSE,C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
Levomethadyl Acetate,FALSE,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Levomilnacipran,FALSE,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1
Levonordefrin,FALSE,C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1
Levonorgestrel,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
Levorphanol,TRUE,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2
Levosimendan,FALSE,C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1
Levothyroxine,FALSE,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
Lidocaine,FALSE,CCN(CC)CC(=O)NC1=C(C)C=CC=C1C
Linaclotide,FALSE,[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Linagliptin,FALSE,CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1
Lincomycin,FALSE,[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC
Lindane,FALSE,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
Linezolid,FALSE,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1
Liothyronine,FALSE,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O
Liotrix,FALSE,[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O
Lipoic Acid,FALSE,OC(=O)CCCCC1CCSS1
Liraglutide,FALSE,
Lisdexamfetamine,TRUE,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN
Lisinopril,FALSE,NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Lisuride,FALSE,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC
Lithium,TRUE,[Li+]
Lofexidine,FALSE,CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1
Lomefloxacin,FALSE,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12
Lomitapide,FALSE,
Lomustine,FALSE,ClCCN(N=O)C(=O)NC1CCCCC1
Loperamide,FALSE,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Lopinavir,FALSE,CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1
Loracarbef,FALSE,N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1
Loratadine,FALSE,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2
Lorazepam,TRUE,OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2
Lorcaserin,FALSE,
Lornoxicam,FALSE,CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=C(C=C(Cl)S2)S1(=O)=O
Losartan,FALSE,CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
Loteprednol,FALSE,[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Lovastatin,FALSE,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC
Loxapine,TRUE,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2
Lubiprostone,FALSE,[H][C@@]12CC(=O)[C@@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC
Lucanthone,FALSE,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1
Lucinactant,FALSE,
Lumefantrine,FALSE,CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1
Lumiracoxib,FALSE,CC1=CC(CC(O)=O)=C(NC2=C(F)C=CC=C2Cl)C=C1
Lurasidone,TRUE,O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC2=CC=CC=C12
Lutropin alfa,FALSE,
Lymecycline,FALSE,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C
Magnesium oxide,FALSE,O=[Mg]
Magnesium salicylate,FALSE,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
Magnesium Sulfate,TRUE,[Mg++].[O-]S([O-])(=O)=O
Malathion,FALSE,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
Mannitol,FALSE,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Maprotiline,TRUE,CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21
Maraviroc,FALSE,[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1
Marimastat,FALSE,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Masoprocol,FALSE,C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1
Mazindol,FALSE,OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1
Mebendazole,FALSE,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1
Mecamylamine,FALSE,CNC1(C)C2CCC(C2)C1(C)C
Mecasermin,FALSE,
Mechlorethamine,FALSE,CN(CCCl)CCCl
Meclizine,TRUE,CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1
Meclofenamic acid,FALSE,CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1
Medroxyprogesterone,FALSE,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
Medrysone,FALSE,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
Mefenamic acid,TRUE,CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1
Mefloquine,FALSE,OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F
Megestrol,FALSE,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C
Melatonin,FALSE,COC1=CC2=C(NC=C2CCNC(C)=O)C=C1
Meloxicam,TRUE,CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O
Melphalan,FALSE,N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O
Memantine,TRUE,CC12CC3CC(C)(C1)CC(N)(C3)C2
Menadione,FALSE,CC1=CC(=O)C2=CC=CC=C2C1=O
Menotropins,FALSE,
Menthol,FALSE,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
Mepenzolate,FALSE,C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
Meperidine,TRUE,CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1
Mephentermine,FALSE,CNC(C)(C)CC1=CC=CC=C1
Mephenytoin,FALSE,CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1
Mepivacaine,FALSE,CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C
Meprobamate,FALSE,CCCC(C)(COC(N)=O)COC(N)=O
Mepyramine,FALSE,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1
Mequitazine,FALSE,C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12
Mercaptopurine,FALSE,S=C1N=CNC2=C1NC=N2
Meropenem,FALSE,[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H]
Mesalazine,FALSE,NC1=CC(C(O)=O)=C(O)C=C1
Mesoridazine,FALSE,CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)=O
Mestranol,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3
Metaraminol,FALSE,C[C@H](N)[C@H](O)C1=CC(O)=CC=C1
Metaxalone,TRUE,CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1
Metformin,FALSE,CN(C)C(=N)NC(N)=N
Methacholine,FALSE,CC(C[N+](C)(C)C)OC(C)=O
Methacycline,FALSE,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Methadone,TRUE,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Methadyl Acetate,FALSE,CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Methamphetamine,TRUE,CN[C@@H](C)CC1=CC=CC=C1
Methantheline,FALSE,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12
Metharbital,FALSE,CCC1(CC)C(=O)NC(=O)N(C)C1=O
Methazolamide,FALSE,CN1N=C(S\C1=N/C(C)=O)S(N)(=O)=O
Methdilazine,FALSE,CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1
Methimazole,FALSE,CN1C=CNC1=S
Methocarbamol,TRUE,COC1=CC=CC=C1OCC(O)COC(N)=O
Methohexital,FALSE,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O
Methotrexate,FALSE,CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Methotrimeprazine,FALSE,COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1
Methoxamine,FALSE,COC1=CC(C(O)C(C)N)=C(OC)C=C1
Methoxsalen,FALSE,COC1=C2OC(=O)C=CC2=CC2=C1OC=C2
Methoxyflurane,FALSE,COC(F)(F)C(Cl)Cl
Methsuximide,TRUE,CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1
Methyclothiazide,FALSE,CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O
Methyl aminolevulinate,FALSE,COC(=O)CCC(=O)CN
Methyldopa,FALSE,C[C@](N)(CC1=CC(O)=C(O)C=C1)C(O)=O
Methylergonovine,FALSE,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO
Methylnaltrexone,FALSE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CC[N+](C)(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
Methylphenidate,TRUE,COC(=O)C(C1CCCCN1)C1=CC=CC=C1
Methylphenobarbital,FALSE,CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1
Methylprednisolone,FALSE,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C
Methylscopolamine,FALSE,[Br-].[H][C@]12C[C@@H](C[C@@]([H])(C3OC13)[N+]2(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1
Methyltestosterone,FALSE,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Methyprylon,FALSE,CCC1(CC)C(=O)NCC(C)C1=O
Methysergide,FALSE,[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO
Meticillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O
Metipranolol,FALSE,CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1
Metixene,FALSE,CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1
Metoclopramide,FALSE,CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
Metocurine,FALSE,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3
Metocurine Iodide,FALSE,[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3
Metolazone,FALSE,CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O
Metoprolol,FALSE,COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
Metrizamide,FALSE,CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I
Metronidazole,FALSE,CC1=NC=C(N1CCO)[N+]([O-])=O
Metyrapone,FALSE,CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1
Metyrosine,FALSE,C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O
Mexiletine,FALSE,CC(N)COC1=C(C)C=CC=C1C
Mezlocillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O
Mianserin,FALSE,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21
Micafungin,FALSE,CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O
Miconazole,FALSE,ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Midazolam,FALSE,CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12
Midodrine,FALSE,COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1
Mifepristone,FALSE,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
Miglitol,FALSE,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Miglustat,TRUE,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Milnacipran,TRUE,CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C1=CC=CC=C1
Milrinone,FALSE,CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1
Mimosine,FALSE,N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O
Minaprine,FALSE,CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1
Minocycline,FALSE,[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
Minoxidil,FALSE,NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1
Mipomersen,FALSE,
Mirabegron,TRUE,NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1
Mirtazapine,TRUE,CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1
Misoprostol,TRUE,CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
Mitiglinide,FALSE,OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1
Mitomycin,FALSE,CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O
Mitotane,FALSE,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl
Mitoxantrone,FALSE,OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1
Mivacurium,FALSE,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC
Moclobemide,FALSE,ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1
Modafinil,TRUE,NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
Moexipril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O
Molindone,TRUE,CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2
Mometasone,FALSE,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Monobenzone,FALSE,OC1=CC=C(OCC2=CC=CC=C2)C=C1
Montelukast,FALSE,OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
Moricizine,FALSE,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1
Morphine,TRUE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
Moxifloxacin,FALSE,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O
Mupirocin,FALSE,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
Muromonab,FALSE,
Mycophenolate mofetil,FALSE,COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C
Mycophenolic acid,FALSE,COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C
N-Acetyl-D-glucosamine,FALSE,[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
Nabilone,TRUE,[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC
Nabumetone,TRUE,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2
NADH,FALSE,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Nadolol,FALSE,CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2
Nadroparin,FALSE,
Nafarelin,FALSE,CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O
Nafcillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O
Naftifine,FALSE,CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12
Nalbuphine,TRUE,O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
Nalidixic Acid,FALSE,CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2
Naloxone,TRUE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O
Naltrexone,TRUE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
Nandrolone decanoate,FALSE,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
Nandrolone phenpropionate,FALSE,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
Naphazoline,FALSE,C(C1=NCCN1)C1=CC=CC2=CC=CC=C12
Naproxen,TRUE,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O
Naratriptan,TRUE,CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
Natalizumab,FALSE,
Natamycin,FALSE,C[C@H]1OC(O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
Nateglinide,FALSE,CC(C)C1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
Nebivolol,FALSE,OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2
Nedocromil,FALSE,CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O
Nefazodone,TRUE,CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1
Nelarabine,FALSE,COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Nelfinavir,FALSE,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C
Neomycin,FALSE,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Neostigmine,TRUE,CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C
Nepafenac,FALSE,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N
Nesiritide,FALSE,
Netilmicin,FALSE,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O
Nevirapine,FALSE,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1
Niacin,FALSE,OC(=O)C1=CN=CC=C1
Nicardipine,FALSE,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1
Nicergoline,FALSE,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CC(Br)=CN=C1)CN2C)OC
Niclosamide,FALSE,OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O
Nicotine,TRUE,CN1CCCC1C1=CN=CC=C1
Nifedipine,FALSE,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC
Niflumic Acid,FALSE,OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1
Nilotinib,FALSE,CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F
Nilutamide,FALSE,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
Nilvadipine,FALSE,COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N
Nimodipine,TRUE,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C
Nisoldipine,FALSE,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C
Nitazoxanide,FALSE,CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O
Nitisinone,FALSE,[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O
Nitrazepam,FALSE,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1
Nitrendipine,FALSE,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC
Nitric Oxide,FALSE,[N]=O
Nitrofurantoin,FALSE,[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O
Nitrofurazone,FALSE,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O
Nitroglycerin,FALSE,[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O
Nitroprusside,FALSE,O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Nitroxoline,FALSE,OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O
Nizatidine,FALSE,CN\C(NCCSCC1=CSC(CN(C)C)=N1)=C/[N+]([O-])=O
Nonoxynol-9,FALSE,CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
Norelgestromin,FALSE,CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(O)C#C
Norepinephrine,FALSE,NC[C@H](O)C1=CC(O)=C(O)C=C1
Norethindrone,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
Norfloxacin,FALSE,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1
Norgestimate,FALSE,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O
Nortriptyline,TRUE,CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
Novobiocin,FALSE,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C
Nystatin,FALSE,C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
Ocriplasmin,FALSE,
Octreotide,FALSE,C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N1
Ofloxacin,FALSE,CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
Olanzapine,TRUE,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2
Olmesartan,FALSE,CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O
Olopatadine,FALSE,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2
Olsalazine,FALSE,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O
Omalizumab,FALSE,
Omeprazole,FALSE,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C
Ondansetron,TRUE,CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2
Oprelvekin,FALSE,
Orciprenaline,FALSE,CC(C)NCC(O)C1=CC(O)=CC(O)=C1
Orlistat,FALSE,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Orphenadrine,TRUE,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C
Oseltamivir,FALSE,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
OspA lipoprotein,FALSE,
Ospemifene,FALSE,OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1
Ouabain,FALSE,[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Oxacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O
Oxaliplatin,FALSE,O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O
Oxamniquine,FALSE,CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O
Oxandrolone,FALSE,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C
Oxaprozin,TRUE,OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1
Oxazepam,TRUE,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
Oxcarbazepine,TRUE,NC(=O)N1C2=CC=CC=C2CC(=O)C2=CC=CC=C12
Oxiconazole,FALSE,ClC1=CC(Cl)=C(CO\N=C(\CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Oxitriptan,FALSE,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O
Oxprenolol,FALSE,CC(C)NCC(O)COC1=CC=CC=C1OCC=C
Oxtriphylline,FALSE,C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O
Oxybenzone,FALSE,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1
Oxybuprocaine,FALSE,CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
Oxybutynin,TRUE,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
Oxycodone,TRUE,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O
Oxymetazoline,FALSE,CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
Oxymorphone,TRUE,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O
Oxyphencyclimine,FALSE,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
Oxyphenonium,FALSE,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
Oxytetracycline,FALSE,[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
Oxytocin,FALSE,
Paclitaxel,FALSE,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C
Palifermin,FALSE,
Paliperidone,TRUE,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1
Palivizumab,FALSE,
Palonosetron,FALSE,[H][C@@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2
Pamidronate,FALSE,NCCC(O)(P(O)(O)=O)P(O)(O)=O
Pancrelipase,FALSE,
Pancuronium,FALSE,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
Panitumumab,FALSE,
Pantoprazole,FALSE,COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1
Papaverine,FALSE,COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
Paramethadione,FALSE,CCC1(C)OC(=O)N(C)C1=O
Paramethasone,FALSE,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@]([H])(F)C2=CC(=O)C=C[C@]12C
Pargyline,FALSE,CN(CC#C)CC1=CC=CC=C1
Paricalcitol,FALSE,[H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\C1=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(O)(C)C
Paromomycin,FALSE,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Paroxetine,TRUE,FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1
Pasireotide,FALSE,
Pazopanib,FALSE,CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1
Pefloxacin,FALSE,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1
Pegademase bovine,FALSE,
Pegaptanib,FALSE,
Pegaspargase,FALSE,
Pegfilgrastim,FALSE,
Peginesatide,FALSE,
Peginterferon alfa-2a,FALSE,
Peginterferon alfa-2b,FALSE,
Pegvisomant,FALSE,
Pemetrexed,FALSE,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1
Pemirolast,FALSE,CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1
Penbutolol,FALSE,CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
Penciclovir,FALSE,NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2
Penicillamine,FALSE,CC(C)(S)C(N)C(O)=O
Penicillin G,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O
Penicillin V,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O
Pentagastrin,FALSE,CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
Pentamidine,FALSE,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
Pentazocine,TRUE,C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CC=C(C)C
Pentobarbital,FALSE,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
Pentolinium,FALSE,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
Pentosan Polysulfate,FALSE,O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O
Pentostatin,FALSE,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O
Pentoxifylline,FALSE,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C
Perampanel,FALSE,
Perflutren,FALSE,FC(F)(F)C(F)(F)C(F)(F)F
Pergolide,FALSE,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC
Perhexiline,FALSE,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Perindopril,FALSE,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
Permethrin,FALSE,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
Perphenazine,TRUE,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1
Pertuzumab,FALSE,
Phenacemide,FALSE,NC(=O)NC(=O)CC1=CC=CC=C1
Phenazopyridine,FALSE,NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1
Phendimetrazine,FALSE,CC1C(OCCN1C)C1=CC=CC=C1
Phenelzine,TRUE,NNCCC1=CC=CC=C1
Phenformin,FALSE,NC(=N)NC(=N)NCCC1=CC=CC=C1
Phenindamine,FALSE,CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1
Phenindione,FALSE,O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1
Pheniramine,FALSE,CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1
Phenmetrazine,FALSE,CC1NCCOC1C1=CC=CC=C1
Phenobarbital,TRUE,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1
Phenol,FALSE,OC1=CC=CC=C1
Phenoxybenzamine,FALSE,CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
Phenprocoumon,FALSE,CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
Phensuximide,FALSE,CN1C(=O)CC(C1=O)C1=CC=CC=C1
Phentermine,FALSE,CC(C)(N)CC1=CC=CC=C1
Phentolamine,FALSE,CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1
Phenylbutazone,FALSE,CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
Phenylephrine,FALSE,CNC[C@H](O)C1=CC(O)=CC=C1
Phenylpropanolamine,FALSE,C[C@@H](N)[C@@H](O)C1=CC=CC=C1
Phenytoin,TRUE,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1
Phosphatidylserine,FALSE,CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O
Physostigmine,FALSE,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C
Phytonadione,FALSE,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O
Picrotoxin,FALSE,[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O
Pilocarpine,FALSE,CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O
Pimecrolimus,FALSE,[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC
Pimozide,TRUE,FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1
Pindolol,FALSE,CC(C)NCC(O)COC1=CC=CC2=C1C=CN2
Pioglitazone,FALSE,CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
Pipazethate,FALSE,O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2
Pipecuronium,FALSE,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
Piperacillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O
Piperazine,FALSE,C1CNCCN1
Pipobroman,FALSE,BrCCC(=O)N1CCN(CC1)C(=O)CCBr
Pipotiazine,FALSE,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1
Pirbuterol,FALSE,CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1
Pirenzepine,FALSE,CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1
Piroxicam,TRUE,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O
Pitavastatin,FALSE,O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O
Pivampicillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C
Pivmecillinam,FALSE,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1
Plerixafor,FALSE,C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1
Plicamycin,FALSE,CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O
Podofilox,FALSE,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O
Polidocanol,FALSE,CCCCCCCCCCCCOCCO
Polymyxin B Sulfate,FALSE,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O
Polystyrene sulfonate,FALSE,
Polythiazide,FALSE,CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O
Pomalidomide,FALSE,NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
Ponatinib,FALSE,CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
Porfimer,FALSE,
Posaconazole,FALSE,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1
Potassium Chloride,FALSE,[Cl-].[K+]
Potassium Iodide,FALSE,[K+].[I-]
Practolol,FALSE,CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1
Pralatrexate,FALSE,NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1
Pralidoxime,FALSE,C[N+]1=C(\C=N\O)C=CC=C1
Pramipexole,TRUE,CCCN[C@H]1CCC2=C(C1)SC(N)=N2
Pramlintide,FALSE,
Pranlukast,FALSE,O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
Prasugrel,FALSE,CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1
Pravastatin,FALSE,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC
Prazepam,FALSE,ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1
Praziquantel,FALSE,O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1
Prazosin,FALSE,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1
Prednicarbate,FALSE,CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC
Prednisolone,FALSE,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Prednisone,FALSE,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Pregabalin,TRUE,CC(C)C[C@H](CN)CC(O)=O
Preotact,FALSE,
Prilocaine,FALSE,CCCNC(C)C(=O)NC1=CC=CC=C1C
Primaquine,FALSE,COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1
Primidone,TRUE,CCC1(C(=O)NCNC1=O)C1=CC=CC=C1
Probenecid,FALSE,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
Probucol,FALSE,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Procainamide,FALSE,CCN(CC)CCNC(=O)C1=CC=C(N)C=C1
Procaine,FALSE,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
Procarbazine,FALSE,CNNCC1=CC=C(C=C1)C(=O)NC(C)C
Procaterol,FALSE,CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
Prochlorperazine,TRUE,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1
Procyclidine,FALSE,OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1
Proflavine,FALSE,NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1
Progabide,FALSE,NC(=O)CCCN\C(C1=CC=C(Cl)C=C1)=C1/C=C(F)C=CC1=O
Progesterone,FALSE,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Proguanil,FALSE,CC(C)\N=C(/N)N=C(N)NC1=CC=C(Cl)C=C1
Promazine,FALSE,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12
Promethazine,TRUE,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C
Propafenone,FALSE,CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
Propantheline,FALSE,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C
Proparacaine,FALSE,CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC
Propericiazine,FALSE,OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1
Propiomazine,FALSE,CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1
Propofol,FALSE,CC(C)C1=CC=CC(C(C)C)=C1O
Propoxyphene,FALSE,CCC(=O)OC(CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1
Propranolol,FALSE,CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12
Propylhexedrine,FALSE,CNC(C)CC1CCCCC1
Propylthiouracil,FALSE,CCCC1=CC(=O)NC(=S)N1
Protriptyline,TRUE,CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12
Pseudoephedrine,FALSE,CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
Pyrazinamide,FALSE,NC(=O)C1=NC=CN=C1
Pyridostigmine,TRUE,CN(C)C(=O)OC1=C[N+](C)=CC=C1
Pyridoxal,FALSE,CC1=NC=C(CO)C(C=O)=C1O
Pyridoxine,FALSE,CC1=NC=C(CO)C(CO)=C1O
Pyrimethamine,FALSE,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1
Pyruvic acid,FALSE,CC(=O)C(O)=O
Quazepam,FALSE,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2
Quetiapine,TRUE,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12
Quinacrine,FALSE,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2
Quinapril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O
Quinestrol,FALSE,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3
Quinethazone,FALSE,CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O
Quinidine,TRUE,[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1
Quinidine barbiturate,FALSE,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C
Quinine,FALSE,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12
Quinupristin,FALSE,CC[C@H]1NC(=O)[C@@H](NC(=O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1
Rabeprazole,FALSE,COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1
Radium Ra 223 Dichloride,FALSE,
Raloxifene,FALSE,OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
Raltitrexed,FALSE,CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Ramelteon,TRUE,CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2
Ramipril,FALSE,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC
Ranibizumab,FALSE,
Ranitidine,FALSE,CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
Ranolazine,FALSE,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1
Rasagiline,TRUE,C#CCN[C@@H]1CCC2=CC=CC=C12
Rasburicase,FALSE,
Raxibacumab,FALSE,
Reboxetine,FALSE,[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1
Regadenoson,FALSE,CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1
Regorafenib,FALSE,CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1
Remifentanil,TRUE,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
Remikiren,FALSE,CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1
Remoxipride,FALSE,CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC
Repaglinide,FALSE,CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O
Rescinnamine,FALSE,[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2
Reserpine,FALSE,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2
Retapamulin,FALSE,C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C
Reteplase,FALSE,
Ribavirin,FALSE,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Riboflavin,FALSE,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
Ridogrel,FALSE,OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F
Rifabutin,FALSE,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21
Rifampin,FALSE,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C
Rifapentine,FALSE,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O
Rifaximin,FALSE,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O
Rilonacept,FALSE,
Rilpivirine,FALSE,CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1
Riluzole,TRUE,NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2
Rimantadine,FALSE,CC(N)C12CC3CC(CC(C3)C1)C2
Rimexolone,FALSE,CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]12C
Rimonabant,FALSE,CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1
Risedronate,FALSE,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O
Risperidone,TRUE,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1
Ritodrine,FALSE,C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
Ritonavir,FALSE,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1
Rituximab,FALSE,
Rivaroxaban,FALSE,ClC1=CC=C(S1)C(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
Rivastigmine,TRUE,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
Rizatriptan,TRUE,CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2
Rocuronium,FALSE,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
Roflumilast,FALSE,FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl
Rolitetracycline,FALSE,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C
Romiplostim,FALSE,
Ropinirole,TRUE,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1
Ropivacaine,FALSE,CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
Rosiglitazone,FALSE,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1
Rosoxacin,FALSE,CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1
Rosuvastatin,FALSE,CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O
Rotigotine,TRUE,CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O
Roxatidine acetate,FALSE,CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1
Roxithromycin,FALSE,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
Rufinamide,TRUE,NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1
Ruxolitinib,FALSE,N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1
S-Adenosylmethionine,FALSE,C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
Salbutamol,FALSE,CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
Salicyclic acid,FALSE,OC(=O)C1=CC=CC=C1O
Salicylamide,FALSE,NC(=O)C1=CC=CC=C1O
Salicylate-sodium,FALSE,[Na+].OC1=CC=CC=C1C([O-])=O
Salmeterol,FALSE,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
Salmon Calcitonin,FALSE,
Salsalate,TRUE,OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O
Saprisartan,FALSE,CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O
Saquinavir,FALSE,CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
Sargramostim,FALSE,
Satumomab Pendetide,FALSE,
Saxagliptin,FALSE,N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
Scopolamine,FALSE,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
Secobarbital,FALSE,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
Secretin,FALSE,
Selegiline,TRUE,CC(CC1=CC=CC=C1)N(C)CC#C
Selenium Sulfide,FALSE,S=[Se]
Sermorelin,FALSE,
Sertaconazole,FALSE,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl
Sertindole,FALSE,FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2
Sertraline,TRUE,CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
Serum albumin,FALSE,
Serum albumin iodonated,FALSE,
Sevelamer,FALSE,NCC=C.ClCC1CO1
Sevoflurane,FALSE,FCOC(C(F)(F)F)C(F)(F)F
Sibutramine,FALSE,CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1
Sildenafil,FALSE,CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(C)CC1
Silodosin,FALSE,C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
Silver sulfadiazine,FALSE,[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1
Simvastatin,FALSE,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC
Sirolimus,FALSE,[H][C@@]1(C[C@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC
Sitagliptin,FALSE,N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F
Sitaxentan,FALSE,CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl
Sodium bicarbonate,FALSE,[Na+].OC([O-])=O
Sodium lauryl sulfate,FALSE,[Na+].CCCCCCCCCCCCOS([O-])(=O)=O
Sodium stibogluconate,FALSE,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO
Sodium Tetradecyl Sulfate,FALSE,CCCCCCCCCCCCCCOS(O)(=O)=O
Solifenacin,TRUE,OC(=O)CCC(O)=O.O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1
Somatropin recombinant,FALSE,
Sorafenib,FALSE,CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
Sotalol,FALSE,CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Spaglumic Acid,FALSE,CC(=O)N[C@@H](CC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O
Sparfloxacin,FALSE,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O
Spectinomycin,FALSE,[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2
Spermine,FALSE,NCCCNCCCCNCCCN
Spinosad,FALSE,CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1C[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
Spirapril,FALSE,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Spironolactone,FALSE,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O
Stanozolol,FALSE,CC1(O)CCC2C3CCC4CC5=NNC=C5CC4(C)C3CCC12C
Stavudine,FALSE,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O
Stepronin,FALSE,CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O
Streptokinase,FALSE,
Streptomycin,FALSE,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O
Streptozocin,FALSE,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Succimer,FALSE,OC(=O)C(S)C(S)C(O)=O
Succinic acid,FALSE,OC(=O)CCC(O)=O
Succinylcholine,FALSE,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
Sucralfate,FALSE,O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O
Sufentanil,TRUE,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1
Sulfacetamide,FALSE,CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1
Sulfacytine,FALSE,CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O
Sulfadiazine,FALSE,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1
Sulfadimethoxine,FALSE,COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1
Sulfadoxine,FALSE,COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC
Sulfamerazine,FALSE,CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1
Sulfamethazine,FALSE,CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1
Sulfamethizole,FALSE,CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1
Sulfamethoxazole,FALSE,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
Sulfametopyrazine,FALSE,COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1
Sulfamoxole,FALSE,CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1
Sulfanilamide,FALSE,NC1=CC=C(C=C1)S(N)(=O)=O
Sulfaphenazole,FALSE,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1
Sulfapyridine,FALSE,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
Sulfasalazine,FALSE,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1
Sulfathiazole,FALSE,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
Sulfinpyrazone,FALSE,O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
Sulfisoxazole,FALSE,CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C
Sulfoxone,FALSE,OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1
Sulindac,TRUE,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O
Sulodexide,FALSE,
Sulpiride,FALSE,CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O
Sumatriptan,TRUE,CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1
Sunitinib,FALSE,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C
Suprofen,FALSE,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1
Suramin,FALSE,CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O
Tacrine,FALSE,NC1=C2CCCCC2=NC2=CC=CC=C12
Tacrolimus,FALSE,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Tadalafil,FALSE,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1
Tafluprost,FALSE,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1
Talbutal,FALSE,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
Taliglucerase Alfa,FALSE,
Tamibarotene,FALSE,CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2
Tamoxifen,FALSE,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Tamsulosin,FALSE,CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O
Tapentadol,TRUE,CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1
Tasosartan,FALSE,CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1
Tauroursodeoxycholic acid,FALSE,[H][C@@]12CCC(C(C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Tazarotene,FALSE,CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1
Tazobactam,FALSE,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O
Teduglutide,FALSE,
Teicoplanin,FALSE,
Telaprevir,FALSE,[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1
Telavancin,FALSE,Cl.CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C3OC4=CC=C(C=C4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(C=C2OC2=CC=C(C=C2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC4=O)C4=CC=C(O)C(=C4)C4=C(C=C(O)C(CNCP(O)(O)=O)=C4O)[C@H](NC2=O)C(O)=O)=C3)O[C@@H](C)[C@H]1O
Telbivudine,FALSE,CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O
Telithromycin,FALSE,CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCN3C=NC(=C3)C3=CC=CN=C3)C(=O)O[C@@]12C)OC
Telmisartan,FALSE,CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O
Temazepam,TRUE,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1
Temozolomide,FALSE,CN1N=NC2=C(N=CN2C1=O)C(N)=O
Temsirolimus,FALSE,OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC
Tenecteplase,FALSE,
Teniposide,FALSE,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])COC(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1
Tenofovir,FALSE,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O
Tenoxicam,FALSE,CN1\C(=C(/O)NC2=CC=CC=N2)C(=O)C2=C(C=CS2)S1(=O)=O
Terazosin,FALSE,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1
Terbinafine,FALSE,CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12
Terbutaline,FALSE,CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1
Terconazole,FALSE,CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Terfenadine,FALSE,CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
Teriflunomide,FALSE,
Teriparatide,FALSE,
Terlipressin,FALSE,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Tesamorelin,FALSE,
Testolactone,FALSE,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
Testosterone,FALSE,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Testosterone Propionate,FALSE,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Tetrabenazine,TRUE,COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1
Tetracycline,FALSE,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O
Tetrahydrobiopterin,FALSE,CC(O)C(O)C1CNC2=C(N1)C(=O)N=C(N)N2
Tetrahydrofolic acid,FALSE,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1
Thalidomide,FALSE,O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12
Theobromine,FALSE,CN1C=NC2=C1C(=O)NC(=O)N2C
Theophylline,FALSE,CN1C2=C(NC=N2)C(=O)N(C)C1=O
Thiabendazole,FALSE,N1C2=CC=CC=C2N=C1C1=CSC=N1
Thiamine,FALSE,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
Thiamylal,FALSE,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O
Thiethylperazine,FALSE,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1
Thioguanine,FALSE,NC1=NC(=S)C2=C(N1)N=CN2
Thiopental,FALSE,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
Thioproperazine,FALSE,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1
Thioridazine,TRUE,CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1
Thiotepa,FALSE,S=P(N1CC1)(N1CC1)N1CC1
Thiothixene,TRUE,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1
Thymalfasin,FALSE,
Thyroglobulin,FALSE,
Thyrotropin Alfa,FALSE,
Tiagabine,TRUE,CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1
Tiaprofenic acid,FALSE,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1
Ticagrelor,FALSE,CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1
Ticarcillin,FALSE,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O
Ticlopidine,FALSE,ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2
Tigecycline,FALSE,[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
Tiludronate,FALSE,OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O
Timolol,FALSE,CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1
Tinidazole,FALSE,CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
Tinzaparin,FALSE,
Tioconazole,FALSE,ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1
Tiotropium,FALSE,C[N+]1(C)[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1
Tipranavir,FALSE,CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1
Tirofiban,FALSE,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O
Tizanidine,TRUE,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1
Tobramycin,FALSE,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
Tocainide,FALSE,CC(N)C(=O)NC1=C(C)C=CC=C1C
Tocilizumab,FALSE,
Tofisopam,FALSE,CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1
Tolazamide,FALSE,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1
Tolazoline,FALSE,C(C1=NCCN1)C1=CC=CC=C1
Tolbutamide,FALSE,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1
Tolcapone,TRUE,CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O
Tolmetin,TRUE,CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1
Tolnaftate,FALSE,CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1
Tolterodine,TRUE,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C
Tolvaptan,FALSE,CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2
Topiramate,TRUE,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2
Topotecan,FALSE,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
Torasemide,FALSE,CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1
Toremifene,FALSE,CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1
Tositumomab,FALSE,
Trabectedin,FALSE,[H][C@@]12CC3=C(C(O)=C(OC)C(C)=C3)[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])C1=C(OC(C)=O)C(C)=C4OCOC4=C21)NCCC1=CC(O)=C(OC)C=C31
Tramadol,TRUE,COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Trametinib,FALSE,CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1
Trandolapril,FALSE,[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
Tranexamic Acid,FALSE,NC[C@H]1CC[C@@H](CC1)C(O)=O
Tranylcypromine,TRUE,N[C@@H]1CC1C1=CC=CC=C1
Trastuzumab,FALSE,
Travoprost,FALSE,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F
Trazodone,TRUE,ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1
Treprostinil,FALSE,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1
Tretinoin,FALSE,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O
Triamcinolone,FALSE,[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Triamterene,FALSE,NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1
Triazolam,TRUE,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12
Trichlormethiazide,FALSE,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl
Tridihexethyl,FALSE,CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1
Trifluoperazine,TRUE,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1
Triflupromazine,FALSE,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F
Trifluridine,FALSE,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F
Triflusal,FALSE,
Trihexyphenidyl,TRUE,OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1
Trilostane,FALSE,[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O
Trimeprazine,FALSE,CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12
Trimethadione,FALSE,CN1C(=O)OC(C)(C)C1=O
Trimethaphan,FALSE,O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1
Trimethobenzamide,TRUE,COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1
Trimethoprim,FALSE,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
Trimetrexate,FALSE,COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC
Trimipramine,TRUE,CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12
Trioxsalen,FALSE,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
Tripelennamine,FALSE,CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1
Triprolidine,FALSE,CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1
Trisalicylate-choline,FALSE,[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
Troleandomycin,FALSE,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
Tropicamide,FALSE,CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1
Trospium,TRUE,OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
Trovafloxacin,FALSE,[H][C@@]12CN(C[C@]1([H])C2N)C1=C(F)C=C2C(=O)C(=CN(C3=C(F)C=C(F)C=C3)C2=N1)C(O)=O
Tubocurarine,FALSE,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3
Tyloxapol,FALSE,
Tymazoline,FALSE,CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1
Udenafil,FALSE,CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C
Uracil mustard,FALSE,ClCCN(CCCl)C1=CNC(=O)NC1=O
Urofollitropin,FALSE,
Urokinase,FALSE,
Ursodeoxycholic acid,FALSE,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Valaciclovir,FALSE,CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O
Valganciclovir,FALSE,CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O
Valproic Acid,TRUE,CCCC(CCC)C(O)=O
Valrubicin,FALSE,CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3
Valsartan,FALSE,CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O
Vancomycin,FALSE,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2
Vandetanib,FALSE,COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1
Vapreotide,FALSE,CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1
Vardenafil,FALSE,CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
Varenicline,TRUE,[H][C@]12C[C@]([H])(CNC1)C1=CC3=NC=CN=C3C=C21
Vasopressin,FALSE,
Vecuronium,FALSE,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
Velaglucerase alfa,FALSE,
Vemurafenib,FALSE,CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1
Venlafaxine,TRUE,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1
Verapamil,FALSE,COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
Verteporfin,FALSE,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C
Vidarabine,FALSE,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Vigabatrin,TRUE,NC(CCC(O)=O)C=C
Vilazodone,TRUE,NC(=O)C1=CC2=C(O1)C=CC(=C2)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1
Vildagliptin,FALSE,OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Vinblastine,FALSE,[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]3(C[C@@H]4CN(C[C@](O)(CC)C4)CCC4=C3NC3=CC=CC=C43)C(=O)OC)[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H]
Vincristine,FALSE,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC
Vindesine,FALSE,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC
Vinorelbine,FALSE,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC
Vismodegib,FALSE,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1
Vitamin A,FALSE,CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Vitamin C,FALSE,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO
Vitamin E,FALSE,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C
Voacamine,FALSE,[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC
Voglibose,FALSE,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
Voriconazole,FALSE,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
Vorinostat,FALSE,ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1
Warfarin,FALSE,CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
Xanthophyll,FALSE,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C
Ximelagatran,FALSE,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1
Xylometazoline,FALSE,CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
Yohimbine,FALSE,[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2
Zafirlukast,FALSE,COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C
Zalcitabine,FALSE,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1
Zaleplon,TRUE,CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N
Zanamivir,FALSE,[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
Zidovudine,FALSE,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O
Zileuton,FALSE,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1
Zinc,FALSE,[Zn]
Ziprasidone,TRUE,ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1
Zoledronate,FALSE,OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O
Zolmitriptan,TRUE,CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12
Zolpidem,TRUE,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1
Zonisamide,TRUE,NS(=O)(=O)CC1=NOC2=CC=CC=C12
Zopiclone,FALSE,CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
Zuclopenthixol,FALSE,OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1