MonarchInit/C3PO huggingface dataset:
Compound: tipepidine
SMILES: C(=C1CN(C)CCC1)(C2=CC=CS2)C3=CC=CS3
Compound: oxagrelate
SMILES: CC=1C2=C(C(CO)=NNC2=O)C=C(C1C(OCC)=O)C
Compound: tetraethylphthalamide
SMILES: C(N(CC)CC)(=O)C1=C(C(N(CC)CC)=O)C=CC=C1
Compound: mebhydrolin
SMILES: C(N1C2=C(C3=C1C=CC=C3)CN(CC2)C)C4=CC=CC=C4
Compound: neridronic acid
SMILES: C(CCCCCN)(P(=O)(O)O)(P(=O)(O)O)O
Compound: folescutol
SMILES: C(C=1C=2C(=CC(=C(C2)O)O)OC(C1)=O)N3CCOCC3
Compound: elliptinium
SMILES: CC=1C2=C(C(=C3C1C=[N+](C=C3)C)C)NC=4C2=CC(=CC4)O
Compound: acetamidoeugenol
SMILES: O(CC(N(CC)CC)=O)C1=C(OC)C=C(C=C1)CC=C
Compound: ethylmethylthiambutene
SMILES: C(=CC(N(CC)C)C)(C1=CC=CS1)C2=CC=CS2
Compound: tolycaine
SMILES: N(C(CN(CC)CC)=O)C1=C(C(OC)=O)C=CC=C1C
Compound: proquazone
SMILES: C(C)(C)N1C=2C(C(=NC1=O)C3=CC=CC=C3)=CC=C(C2)C
Compound: demexiptiline
SMILES: N(OCCNC)=C1C=2C(C=CC=3C1=CC=CC3)=CC=CC2
Compound: sodium gualenate
SMILES: S(=O)(=O)(O)C1=C2C(C(=C1)C)=CC(=CC=C2C)C(C)C
Compound: dimethocaine
SMILES: C(OCC(CN(CC)CC)(C)C)(=O)C1=CC=C(C=C1)N
Compound: acecarbromal
SMILES: C(C(NC(NC(C)=O)=O)=O)(CC)(CC)Br
Compound: ramosetron
SMILES: C(=O)(C=1C=2C(N(C1)C)=CC=CC2)[C@H]3CC4=C(CC3)N=CN4
Compound: etamiphylline
SMILES: C(CN(CC)CC)N1C2=C(N=C1)N(C)C(N(C2=O)C)=O
Compound: fenpiprane
SMILES: C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: flumecinol
SMILES: C(CC)(O)(C1=CC(C(F)(F)F)=CC=C1)C2=CC=CC=C2
Compound: hydroxystilbamidine
SMILES: NC(=N)C1=CC=C(C=CC2=CC=C(C=C2O)C(N)=N)C=C1
Compound: hydroxytetracaine
SMILES: C(OCCN(C)C)(=O)C1=C(O)C=C(C=C1)NCCCC
Compound: tromantadine
SMILES: C1C2CC3CC1(CC(C3)C2)NC(COCCN(C)C)=O
Compound: histapyrrodine
SMILES: N(CC1=CC=CC=C1)(CCN2CCCC2)C3=CC=CC=C3
Compound: bamipine
SMILES: N(CC1=CC=CC=C1)(C2CCN(CC2)C)C3=CC=CC=C3
Compound: ciclosidomine
SMILES: [N-](C(=O)C1CCCCC1)C2=C[N+](=NO2)N3CCOCC3
Compound: piberaline
SMILES: C(=O)(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=N3
Compound: terodiline
SMILES: C(CC(NC(C)(C)C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: emepronium
SMILES: C1=CC=CC(=C1)C(CC([N+](CC)(C)C)C)C2=CC=CC=C2
Compound: tribromoethanol
SMILES: C(CO)(Br)(Br)Br
Compound: papaveroline
SMILES: OC1=CC2=C(C=C1O)C(CC3=CC(O)=C(O)C=C3)=NC=C2
Compound: trolnitrate
SMILES: N(CCO[N+]([O-])=O)(CCO[N+]([O-])=O)CCO[N+]([O-])=O
Compound: taurolidine
SMILES: O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
Compound: etozolin
SMILES: O=C1C(SC(N1C)=CC(OCC)=O)N2CCCCC2
Compound: bibenzonium
SMILES: C1=CC=CC=C1CC(OCC[N+](C)(C)C)(C2=CC=CC=C2)[H]
Compound: isopromethazine
SMILES: CC(CN(C)C)N1C2=CC=CC=C2SC3=C1C=CC=C3
Compound: iprindole
SMILES: C(CCN(C)C)N1C=2C(C3=C1CCCCCC3)=CC=CC2
Compound: disulfamide
SMILES: S(N)(=O)(=O)C1=CC(S(N)(=O)=O)=C(C=C1C)Cl
Compound: bromebric acid
SMILES: C(/C(=C\C(O)=O)/Br)(=O)C1=CC=C(C=C1)OC
Compound: nifuratel
SMILES: N(=C/C=1OC(=CC1)[N+](=O)[O-])\N2CC(OC2=O)CSC
Compound: medrylamine
SMILES: C(OCCN(C)C)(C1=CC=C(C=C1)OC)C2=CC=CC=C2
Compound: prothipendyl
SMILES: C(CCN(C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2
Compound: isothipendyl
SMILES: C(C(N(C)C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2
Compound: guaimesal
SMILES: O(C1(C)OC=2C(C(O1)=O)=CC=CC2)C3=C(OC)C=CC=C3
Compound: guacetisal
SMILES: C(OC1=C(OC)C=CC=C1)(=O)C2=C(OC(C)=O)C=CC=C2
Compound: butazopyridine
SMILES: N(=N/C=1C=CC(=NC1)OCCCC)\C2=C(N)N=C(C=C2)N
Compound: thenalidine
SMILES: N(CC1=CC=CS1)(C2CCN(CC2)C)C3=CC=CC=C3
Compound: brallobarbital
SMILES: C(C(Br)=C)C1(CC=C)C(=O)NC(NC1=O)=O
Compound: incadronic acid
SMILES: C(NC1CCCCCC1)(P(=O)(O)O)P(=O)(O)O
Compound: rhodoquine
SMILES: N(CCCN(CC)CC)C1=C2C(=CC(=C1)OC)C=CC=N2
Compound: proxazole
SMILES: C(CC)(C=1N=C(ON1)CCN(CC)CC)C2=CC=CC=C2
Compound: chlorproguanil
SMILES: N(C(NC(NC(C)C)=N)=N)C1=CC(Cl)=C(C=C1)Cl
Compound: fospropofol
SMILES: O(COP(=O)(O)O)C1=C(C(C)C)C=CC=C1C(C)C
Compound: protiofate
SMILES: C(OCCC)(=O)C1=C(O)C(=C(S1)C(OCCC)=O)O
Compound: phenglutarimide
SMILES: C(CN(CC)CC)C1(C(=O)NC(CC1)=O)C2=CC=CC=C2
Compound: milverine
SMILES: C(CCNC=1C=CN=CC1)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: desalkylflurazepam
SMILES: ClC=1C=C2C(=NCC(NC2=CC1)=O)C3=C(F)C=CC=C3
Compound: tetrazepam
SMILES: CN1C=2C(C(=NCC1=O)C=3CCCCC3)=CC(=CC2)Cl
Compound: propallylonal
SMILES: C(C(Br)=C)C1(C(C)C)C(=O)NC(NC1=O)=O
Compound: adrafinil
SMILES: C(S(CC(NO)=O)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: rotraxate
SMILES: C(=O)(C1=CC=C(C=C1)CCC(O)=O)[C@H]2CC[C@@H](CC2)CN
Compound: improsulfan
SMILES: O(S(C)(=O)=O)CCCNCCCOS(C)(=O)=O
Compound: butaverine
SMILES: C(CC(OCCCC)=O)(C1=CC=CC=C1)N2CCCCC2
Compound: caramiphen
SMILES: C(OCCN(CC)CC)(=O)C1(CCCC1)C2=CC=CC=C2
Compound: bencyclane
SMILES: C(C1(OCCCN(C)C)CCCCCC1)C2=CC=CC=C2
Compound: nicoclonate
SMILES: C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(C=C2)Cl
Compound: clofedanol
SMILES: C(CCN(C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2
Compound: bagrosin
SMILES: CC1(C2=CC3=C4C(=CC=C3C=C2)C=CC=C4)NC(NC1=O)=O
Compound: procaterol
SMILES: [C@H]([C@H](NC(C)C)CC)(O)C1=C2C(=C(C=C1)O)NC(C=C2)=O
Compound: oxabolone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=C(O)C(CC4)=O)[H])[H])[H])(CC[C@@H]2O)[H]
Compound: mepiperphenidol
SMILES: C(C(CC[N+]1(C)CCCCC1)O)(C(C)C)C2=CC=CC=C2
Compound: befunolol
SMILES: O(CC(CNC(C)C)O)C=1C2=C(C=C(O2)C(C)=O)C=CC1
Compound: butinoline
SMILES: C(C#CCN1CCCC1)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: melitracen
SMILES: C(CCN(C)C)=C1C2=C(C(C=3C1=CC=CC3)(C)C)C=CC=C2
Compound: lobenzarit
SMILES: N(C1=C(C(O)=O)C=CC(=C1)Cl)C2=C(C(O)=O)C=CC=C2
Compound: butedronic acid
SMILES: C(C(P(=O)(O)O)P(=O)(O)O)(CC(O)=O)C(O)=O
Compound: cloranolol
SMILES: O(CC(CNC(C)(C)C)O)C1=C(Cl)C=CC(=C1)Cl
Compound: tiamiprine
SMILES: S(C1=C2C(N=C(N1)N)=NC=N2)C3=C([N+]([O-])=O)N=CN3C
Compound: leucinocaine
SMILES: C(N(CC)CC)(COC(=O)C1=CC=C(C=C1)N)CC(C)C
Compound: ambucetamide
SMILES: C(N(CCCC)CCCC)(C(N)=O)C1=CC=C(C=C1)OC
Compound: dimetindene
SMILES: C(C)(C=1C2=C(CC1CCN(C)C)C=CC=C2)C3=CC=CC=N3
Compound: perfosfamide
SMILES: N(CCCl)(CCCl)[P@@]1(=O)N[C@H](OO)CCO1
Compound: amitriptylinoxide
SMILES: C(CC[N+](C)(C)[O-])=C1C=2C(CCC3=C1C=CC=C3)=CC=CC2
Compound: prozapine
SMILES: C(CCN1CCCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: pramiverine
SMILES: C1CC(CCC1NC(C)C)(C2=CC=CC=C2)C=3C=CC=CC3
Compound: butriptyline
SMILES: C(C(CN(C)C)C)C1C=2C(CCC3=C1C=CC=C3)=CC=CC2
Compound: budipine
SMILES: C(C)(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: lidofenin
SMILES: N(C(CN(CC(O)=O)CC(O)=O)=O)C1=C(C)C=CC=C1C
Compound: sulfacytine
SMILES: S(NC1=NC(=O)N(C=C1)CC)(=O)(=O)C2=CC=C(C=C2)N
Compound: norgestrienone
SMILES: C[C@@]12[C@]([C@]3(C(C=C1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@]2(C#C)O)[H]
Compound: noxiptiline
SMILES: N(OCCN(C)C)=C1C=2C(CCC3=C1C=CC=C3)=CC=CC2
Compound: dimetacrine
SMILES: CN(C)CCCN1C2=CC=CC=C2C(C)(C)C3=C1C=CC=C3
Compound: sodium myristyl sulfate
SMILES: C(CCCCCCCCCCCC)COS(=O)(=O)O
Compound: tiadenol
SMILES: C(CCCCCSCCO)CCCCSCCO
Compound: bucloxic acid
SMILES: ClC1=C(C=CC(=C1)C(CCC(O)=O)=O)C2CCCCC2
Compound: glyconiazide
SMILES: [C@@H](/C=N/NC(=O)C=1C=CN=CC1)(O)[C@@]2([C@H](O)[C@@H](C(O2)=O)O)[H]
Compound: azidamfenicol
SMILES: [C@@H]([C@H](NC(CN=[N+]=[N-])=O)CO)(O)C1=CC=C(C=C1)[N+](=O)[O-]
Compound: indobufen
SMILES: O=C1N(CC2=C1C=CC=C2)C3=CC=C(C=C3)C(C(O)=O)CC
Compound: floredil
SMILES: O(CCN1CCOCC1)C2=CC(OCC)=CC(=C2)OCC
Compound: difemetorex
SMILES: C1=CC=CC(=C1)C(C2(N(CCCC2)CCO)[H])C3=CC=CC=C3
Compound: normethadone
SMILES: C(CCN(C)C)(C(CC)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: picoperine
SMILES: N(CC1=CC=CC=N1)(CCN2CCCCC2)C3=CC=CC=C3
Compound: tertatolol
SMILES: O(CC(CNC(C)(C)C)O)C1=C2C(=CC=C1)CCCS2
Compound: diisopromine
SMILES: C(CCN(C(C)C)C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: chloropyrilene
SMILES: N(CC1=CC=C(S1)Cl)(CCN(C)C)C2=CC=CC=N2
Compound: sulfarside
SMILES: S(N)(=O)(=O)C1=CC(N)=C(C=C1)[As](O)(O)=O
Compound: bermoprofen
SMILES: O=C1C=2C(OC3=C(C1)C=C(C=C3)C)=CC=C(C2)C(C(O)=O)C
Compound: exiproben
SMILES: O(CC(COCCCCCC)O)C1=C(C(O)=O)C=CC=C1
Compound: propizepine
SMILES: C(C(N(C)C)C)N1C=2C(NC3=C(C1=O)C=CC=N3)=CC=CC2
Compound: glycyclamide
SMILES: S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC=C(C=C2)C
Compound: bentazepam
SMILES: O=C1NC2=C(C(=NC1)C3=CC=CC=C3)C4=C(S2)CCCC4
Compound: parathiazine
SMILES: C(CN1C2=CC=CC=C2SC3=CC=CC=C13)N4CCCC4
Compound: fenclofenac
SMILES: O(C1=C(CC(O)=O)C=CC=C1)C2=C(Cl)C=C(C=C2)Cl
Compound: tritiozine
SMILES: C(=S)(C1=CC(OC)=C(C(=C1)OC)OC)N2CCOCC2
Compound: imipramine oxide
SMILES: C(CC[N+](C)(C)[O-])N1C=2C(CCC3=C1C=CC=C3)=CC=CC2
Compound: tolindate
SMILES: O(C(N(C)C1=CC(C)=CC=C1)=S)C2=CC3=C(C=C2)CCC3
Compound: dimantine
SMILES: C(CCCCCCCCCCCC)CCCCCN(C)C
Compound: metochalcone
SMILES: C(C=CC1=CC=C(C=C1)OC)(=O)C2=C(OC)C=C(C=C2)OC
Compound: phenacaine
SMILES: N(=C(NC1=CC=C(C=C1)OCC)C)C2=CC=C(C=C2)OCC
Compound: carazolol
SMILES: O(CC(CNC(C)C)O)C=1C=2C=3C(NC2C=CC1)=CC=CC3
Compound: piprozolin
SMILES: O=C1C(SC(N1CC)=CC(OCC)=O)N2CCCCC2
Compound: methestrol
SMILES: C(C(CC)C1=CC(C)=C(C=C1)O)(CC)C2=CC(C)=C(C=C2)O
Compound: benzestrol
SMILES: C(C(C(C)C1=CC=C(C=C1)O)CC)(CC)C2=CC=C(C=C2)O
Compound: diethazine
SMILES: CCN(CC)CCN1C2=CC=CC=C2SC3=C1C=CC=C3
Compound: rosaprostol
SMILES: C(CCCCCC(O)=O)[C@@]1([C@@](CCCCCC)(CCC1(O)[H])[H])[H]
Compound: metopon
SMILES: C[C@]12[C@]34C5=C(O1)C(O)=CC=C5C[C@]([C@@]3(CCC2=O)[H])(N(CC4)C)[H]
Compound: thiazinam
SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=CC=C3)[N+](C)(C)C
Compound: traxanox
SMILES: O=C1C2=C(OC=3C1=CC=CN3)C(Cl)=CC(=C2)C=4NN=NN4
Compound: norvinisterone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(CC[C@]2(C=C)O)[H]
Compound: norgesterone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)CC(CC4)=O)[H])[H])(CC[C@]2(C=C)O)[H]
Compound: etifoxine
SMILES: CCNC1=NC2=CC=C(Cl)C=C2C(C)(O1)C3=CC=CC=C3
Compound: clomacran
SMILES: CN(C)CCCC1C2=CC=CC=C2NC3=C1C=C(Cl)C=C3
Compound: bromindione
SMILES: BrC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
Compound: isobromindione
SMILES: BrC1=CC=C2C(=O)C(C(=O)C2=C1)C3=CC=CC=C3
Compound: dihydrocodeine
SMILES: O[C@@H]1[C@]2([C@]34C5=C(O2)C(OC)=CC=C5C[C@]([C@@]3(CC1)[H])(N(CC4)C)[H])[H]
Compound: trans-bisulepin
SMILES: CN(C)CC\C=C1\C2=C(SC=C2)SCC2=C1C=CC=C2
Compound: terizidone
SMILES: N(=C/C1=CC=C(C=C1)/C=N/C2C(=O)NOC2)\C3C(=O)NOC3
Compound: florantyrone
SMILES: C(CCC(O)=O)(=O)C1=CC=2C=3C=4C(C2C=C1)=CC=CC4C=CC3
Compound: aminopropylone
SMILES: O=C1N(N(C(=C1NC(C(N(C)C)C)=O)C)C)C2=CC=CC=C2
Compound: neticonazole
SMILES: C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2
Compound: norethandrolone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(CC[C@]2(CC)O)[H]
Compound: methenolone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CC[C@]1(CC(C=C2C)=O)[H])[H])[H]
Compound: tricyclamol chloride
SMILES: C(CC[N+]1(C)CCCC1)(O)(C2CCCCC2)C3=CC=CC=C3.[Cl-]
Compound: vildagliptin
SMILES: C1C2CC3(CC1(NCC(N4CCC[C@H]4C#N)=O)CC(C3)C2)O
Compound: aptiganel
SMILES: N(C(N(C)C1=CC(CC)=CC=C1)=N)C=2C=3C(C=CC2)=CC=CC3
Compound: piroheptine
SMILES: CCN1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12
Compound: chlorphenoxamine
SMILES: C(OCCN(C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2
Compound: spaglumic acid
SMILES: [C@@H](CC(N[C@@H](CCC(O)=O)C(O)=O)=O)(NC(C)=O)C(O)=O
Compound: xyloylsulfamine
SMILES: C(NS(=O)(=O)C1=CC=C(C=C1)N)(=O)C2=CC(C)=C(C=C2)C
Compound: tilisolol
SMILES: O(CC(CNC(C)(C)C)O)C=1C=2C(C(N(C1)C)=O)=CC=CC2
Compound: quinupramine
SMILES: N1(C2=C(CCC3=C1C=CC=C3)C=CC=C2)C4C5CCN(C4)CC5
Compound: mesterolone
SMILES: [C@]12([C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CC[C@]1(CC(C[C@@H]2C)=O)[H])[H])[H])C
Compound: clobuzarit
SMILES: C(OC(C(O)=O)(C)C)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
Compound: delorazepam
SMILES: ClC=1C=C2C(=NCC(NC2=CC1)=O)C3=C(Cl)C=CC=C3
Compound: mannomustine
SMILES: [C@H]([C@@H]([C@@H](CNCCCl)O)O)([C@@H](CNCCCl)O)O
Compound: bucumolol
SMILES: O(CC(CNC(C)(C)C)O)C1=C2C(=C(C=C1)C)C=CC(O2)=O
Compound: atropine oxyde
SMILES: C[N+]1([C@H]2C[C@@H](C[C@@H]1CC2)OC(C(CO)C3=CC=CC=C3)=O)[O-]
Compound: nicofibrate
SMILES: O(C(C(OCC=1C=CC=NC1)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: acediasulfone
SMILES: S(=O)(=O)(C1=CC=C(C=C1)NCC(O)=O)C2=CC=C(C=C2)N
Compound: formylsulfamethin
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)NC=O)C=2C=C(C)N=C(N2)C
Compound: phenolphthalol
SMILES: C(C1=C(CO)C=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Compound: valethamate
SMILES: C(C(OCC[N+](CC)(CC)C)=O)(C(CC)C)C1=CC=CC=C1
Compound: carbocysteine-lysine
SMILES: [C@H](NC([C@H](CSCC(O)=O)N)=O)(CCCCN)C(O)=O
Compound: sulfasymazine
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)N)C=2N=C(CC)N=C(N2)CC
Compound: ibopamine
SMILES: O(C(C(C)C)=O)C1=C(OC(C(C)C)=O)C=C(C=C1)CCNC
Compound: moxaverine
SMILES: C(C=1C=2C(=CC(=C(C2)OC)OC)C=C(N1)CC)C3=CC=CC=C3
Compound: talastine
SMILES: C(C=1C2=C(C(N(N1)CCN(C)C)=O)C=CC=C2)C3=CC=CC=C3
Compound: fabomotizole
SMILES: S(CCN1CCOCC1)C2=NC3=C(N2)C=CC(=C3)OCC
Compound: butamirate
SMILES: C(C(OCCOCCN(CC)CC)=O)(CC)C1=CC=CC=C1
Compound: mitolactol
SMILES: [C@H]([C@H]([C@@H](CBr)O)O)([C@H](CBr)O)O
Compound: sulisobenzone
SMILES: C(=O)(C1=CC(S(=O)(=O)O)=C(C=C1O)OC)C2=CC=CC=C2
Compound: metabutoxycaine
SMILES: C(OCCN(CC)CC)(=O)C1=C(OCCCC)C(N)=CC=C1
Compound: indecainide
SMILES: C(CCNC(C)C)C1(C(N)=O)C2=C(C=3C1=CC=CC3)C=CC=C2
Compound: pinazepam
SMILES: C(N1C=2C(C(=NCC1=O)C3=CC=CC=C3)=CC(=CC2)Cl)C#C
Compound: liarozole
SMILES: C(C1=CC2=C(C=C1)NC=N2)(C3=CC(Cl)=CC=C3)N4C=CN=C4
Compound: aminaphthone
SMILES: OC=1C=2C(C(=C(C1OC(=O)C3=CC=C(C=C3)N)C)O)=CC=CC2
Compound: sulfaguanole
SMILES: N(C(NS(=O)(=O)C1=CC=C(C=C1)N)=N)C2=NC(=C(O2)C)C
Compound: dioxadrol
SMILES: C1(OC(CO1)C2CCCCN2)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: amolanone
SMILES: C(CN(CC)CC)C1(C2=C(OC1=O)C=CC=C2)C3=CC=CC=C3
Compound: isomethadone
SMILES: C(C(CN(C)C)C)(C(CC)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: cetamolol
SMILES: O(CC(CNC(C)(C)C)O)C1=C(OCC(NC)=O)C=CC=C1
Compound: gestodene
SMILES: C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(C=C[C@]2(C#C)O)[H]
Compound: pecazine
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4CCCN(C4)C
Compound: mabuterol
SMILES: C(F)(F)(F)C1=CC(C(CNC(C)(C)C)O)=CC(=C1N)Cl
Compound: alloclamide
SMILES: C(NCCN(CC)CC)(=O)C1=C(OCC=C)C=C(C=C1)Cl
Compound: butofilolol
SMILES: C(CCC)(=O)C1=C(OCC(CNC(C)(C)C)O)C=CC(=C1)F
Compound: metahexamide
SMILES: S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC(N)=C(C=C2)C
Compound: fomocaine
SMILES: C(OC1=CC=CC=C1)C2=CC=C(C=C2)CCCN3CCOCC3
Compound: femoxetine
SMILES: C(OC1=CC=C(C=C1)OC)[C@@H]2[C@H](CCN(C2)C)C3=CC=CC=C3
Compound: ambutonium
SMILES: C(CC[N+](CC)(C)C)(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: dimepheptanol
SMILES: C(CC(N(C)C)C)(C(CC)O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: lodoxamide
SMILES: N(C(C(O)=O)=O)C1=C(Cl)C(NC(C(O)=O)=O)=CC(=C1)C#N
Compound: pyrrobutamine
SMILES: C(CC1=CC=C(C=C1)Cl)(=CCN2CCCC2)C3=CC=CC=C3
Compound: artemotil
SMILES: C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1OCC)(O[C@](OO3)(CC[C@]4([C@@H](CC2)C)[H])C)[H])[H]
Compound: ibuprofen guaiacol ester
SMILES: O(C(C(C)C1=CC=C(C=C1)CC(C)C)=O)C2=C(OC)C=CC=C2
Compound: glybuthiazol
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)N)C=2SC(=NN2)C(C)(C)C
Compound: guggulsterone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])(CC(C2=CC)=O)[H]
Compound: demegestone
SMILES: C[C@@]12[C@]([C@]3(C(CC1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@@]2(C(C)=O)C)[H]
Compound: benorilate
SMILES: C(OC1=CC=C(C=C1)NC(C)=O)(=O)C2=C(OC(C)=O)C=CC=C2
Compound: xenysalate
SMILES: OC1=C(C=CC=C1C(OCCN(CC)CC)=O)C2=CC=CC=C2
Compound: reboxetine
SMILES: [C@](OC1=C(OCC)C=CC=C1)(C2=CC=CC=C2)([C@]3(CNCCO3)[H])[H]
Compound: oxyfedrine
SMILES: C(CCN[C@H]([C@H](O)C1=CC=CC=C1)C)(=O)C2=CC(OC)=CC=C2
Compound: indisetron
SMILES: C(N[C@H]1C[C@@H]2N([C@H](C1)CN(C2)C)C)(=O)C=3C4=C(NN3)C=CC=C4
Compound: fenalcomine
SMILES: C(CC)(O)C1=CC=C(C=C1)OCCNC(CC2=CC=CC=C2)C
Compound: pimefylline
SMILES: C(CNCC=1C=CC=NC1)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: methopromazine
SMILES: COC1=CC2=C(SC3=CC=CC=C3N2CCCN(C)C)C=C1
Compound: loflucarban
SMILES: N(C(NC1=CC=C(C=C1)F)=S)C2=CC(Cl)=CC(=C2)Cl
Compound: mitiglinide
SMILES: C(C[C@H](CC1=CC=CC=C1)C(O)=O)(=O)N2C[C@]3([C@@](C2)(CCCC3)[H])[H]
Compound: pamaquine
SMILES: N(C(CCCN(CC)CC)C)C1=C2C(=CC(=C1)OC)C=CC=N2
Compound: rotigotine
SMILES: OC1=C2C(C[C@H](CC2)N(CCC3=CC=CS3)CCC)=CC=C1
Compound: clobenzepam
SMILES: C(CN(C)C)N1C2=C(NC=3C(C1=O)=CC=CC3)C=C(C=C2)Cl
Compound: tinoridine
SMILES: C(OCC)(=O)C=1C2=C(SC1N)CN(CC2)CC3=CC=CC=C3
Compound: butalamine
SMILES: N(CCN(CCCC)CCCC)C1=NC(=NO1)C2=CC=CC=C2
Compound: pregnenolone succinate
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)C(C)=O)[H])(CC=C1C[C@H](CC2)OC(CCC(O)=O)=O)[H])[H]
Compound: calusterone
SMILES: C[C@@H]1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@]4([C@]2(CC[C@]4(C)O)[H])C)[H])[H]
Compound: zimeldine
SMILES: C(=C/CN(C)C)(\C1=CC=C(C=C1)Br)/C=2C=CC=NC2
Compound: oxyphenisatine
SMILES: O=C1C(C2=C(N1)C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Compound: denopamine
SMILES: COC1=CC=C(CCNC[C@H](O)C2=CC=C(O)C=C2)C=C1OC
Compound: mecloxamine
SMILES: C(OC(CN(C)C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2
Compound: methscopolamine
SMILES: C[N+]1(C)[C@@H]2[C@H]3[C@@H]([C@H]1C[C@H](C2)OC([C@H](CO)C4=CC=CC=C4)=O)O3
Compound: bietamiverine
SMILES: C(C(OCCN(CC)CC)=O)(C1=CC=CC=C1)(N2CCCCC2)[H]
Compound: tiemonium
SMILES: C(CC[N+]1(C)CCOCC1)(O)(C2=CC=CS2)C3=CC=CC=C3
Compound: oxetorone
SMILES: C(=C1C2=C(C3=C(O2)C=CC=C3)COC=4C1=CC=CC4)CCN(C)C
Compound: cyclodrine
SMILES: C(C(OCCN(CC)CC)=O)(C1(O)CCCC1)C2=CC=CC=C2
Compound: eterobarb
SMILES: C(C)C1(C(=O)N(COC)C(N(C1=O)COC)=O)C2=CC=CC=C2
Compound: dihexyverine
SMILES: C(OCCN1CCCCC1)(=O)C2(CCCCC2)C3CCCCC3
Compound: cyclocoumarol
SMILES: O=C1C2=C(C3=C(O1)C=CC=C3)OC(CC2C4=CC=CC=C4)(OC)C
Compound: glyhexamide
SMILES: S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC3=C(C=C2)CCC3
Compound: aprindine
SMILES: N(CCCN(CC)CC)(C1CC2=C(C1)C=CC=C2)C3=CC=CC=C3
Compound: bisaramil
SMILES: C=1C=C(C=CC1C(O[C@]2([C@]3(CN(C[C@]2([H])CN(C3)C)CC)[H])[H])=O)Cl
Compound: clostebol
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CCC1=C(Cl)C(CC2)=O)[H])[H]
Compound: mepixanox
SMILES: C(C=1C2=C(C(=O)C=3C(O2)=CC=CC3)C=CC1OC)N4CCCCC4
Compound: dimefline
SMILES: C(N(C)C)C1=C2C(C(=O)C(=C(O2)C3=CC=CC=C3)C)=CC=C1OC
Compound: guaiapate
SMILES: O(CCOCCOCCN1CCCCC1)C2=C(OC)C=CC=C2
Compound: bufetolol
SMILES: O(CC1CCCO1)C2=C(OCC(CNC(C)(C)C)O)C=CC=C2
Compound: cicloprolol
SMILES: O(CC(CNC(C)C)O)C1=CC=C(C=C1)OCCOCC2CC2
Compound: cinnamaverine
SMILES: C1(=CC=CC=C1)C(C(=O)OCCN(CC)CC)=CC2=CC=CC=C2
Compound: cyamemazine
SMILES: CC(CN(C)C)CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N
Compound: oxysonium
SMILES: C(C(OCC[S+](C)C)=O)(O)(C1CCCCC1)C2=CC=CC=C2
Compound: trofosfamide
SMILES: N(CCCl)(CCCl)P1(=O)N(CCCl)CCCO1
Compound: amphotalide
SMILES: O=C1C=2C(C(N1CCCCCOC3=CC=C(C=C3)N)=O)=CC=CC2
Compound: ditazole
SMILES: N(CCO)(CCO)C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
Compound: nitracrine
SMILES: N(CCCN(C)C)C1=C2C(=NC=3C1=CC=CC3)C=CC=C2[N+]([O-])=O
Compound: viquidil
SMILES: C(CC[C@H]1[C@@H](C=C)CNCC1)(=O)C=2C=3C(=CC=C(C3)OC)N=CC2
Compound: diampromide
SMILES: N(CC(N(CCC1=CC=CC=C1)C)C)(C(CC)=O)C2=CC=CC=C2
Compound: vorozole
SMILES: [C@@H](C1=CC2=C(C=C1)N=NN2C)(C3=CC=C(C=C3)Cl)N4C=NC=N4
Compound: capobenic acid
SMILES: O(C)C1=C(OC)C=C(C=C1OC)C(NCCCCCC(O)=O)=O
Compound: etafenone
SMILES: O(CCN(CC)CC)C1=C(C(CCC2=CC=CC=C2)=O)C=CC=C1
Compound: octabenzone
SMILES: C(=O)(C1=C(O)C=C(C=C1)OCCCCCCCC)C2=CC=CC=C2
Compound: tiazesim
SMILES: C(CN(C)C)N1C=2C(SC(CC1=O)C3=CC=CC=C3)=CC=CC2
Compound: bunaftine
SMILES: C(N(CCN(CC)CC)CCCC)(=O)C=1C=2C(C=CC1)=CC=CC2
Compound: etymemazine
SMILES: CCC1=CC=C2SC3=CC=CC=C3N(CC(C)CN(C)C)C2=C1
Compound: bromochlorosalicylanilide
SMILES: C(NC1=CC=C(C=C1)Cl)(=O)C2=C(O)C=CC(=C2)Br
Compound: leteprinim
SMILES: C(CC(NC1=CC=C(C=C1)C(O)=O)=O)N2C3=C(N=C2)C(=O)NC=N3
Compound: dimenoxadol
SMILES: C(C(OCCN(C)C)=O)(OCC)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: difemerine
SMILES: C=1(C(C(=O)OC(CN(C)C)(C)C)(C=2C=CC=CC2)O)C=CC=CC1
Compound: norelgestromin
SMILES: C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=NO)[H])[H])[H])(CC[C@]2(C#C)O)[H]
Compound: tifenamil
SMILES: C(C(SCCN(CC)CC)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: aminopromazine
SMILES: C(N1C2=CC=CC=C2SC3=C1C=CC=C3)C(CN(C)C)(N(C)C)[H]
Compound: clofibride
SMILES: O(C(C(OCCCC(N(C)C)=O)=O)(C)C)C1=CC=C(C=C1)Cl
Compound: promestriene
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OCCC)[H])[H])(CC[C@@H]2OC)[H]
Compound: ciclonium
SMILES: C(OCC[N+](CC)(CC)C)(C1C2CC(C1)C=C2)(C3=CC=CC=C3)C
Compound: flumethiazide
SMILES: O=S1(=O)C2=C(C=C(C(=C2)S(N)(=O)=O)C(F)(F)F)N=CN1
Compound: etofylline nicotinate
SMILES: C(COC(=O)C=1C=CC=NC1)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: bornaprine
SMILES: C(OCCCN(CC)CC)(=O)C1(C2CC(C1)CC2)C3=CC=CC=C3
Compound: androisoxazole
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](CC4)(C)O)[H])(CC[C@]1(CC=5C(C2)=CON5)[H])[H])[H]
Compound: oxomemazine
SMILES: CC(CN(C)C)CN1C2=CC=CC=C2S(=O)(=O)C3=C1C=CC=C3
Compound: mivotilate
SMILES: C(C(NC=1SC=C(N1)C)=O)(C(OC(C)C)=O)=C2SCS2
Compound: prasterone acetate
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(CC4)=O)[H])(CC=C1C[C@H](CC2)OC(C)=O)[H])[H]
Compound: dipiproverine
SMILES: C(C(OCCN1CCCCC1)=O)(C2=CC=CC=C2)N3CCCCC3
Compound: chlorbetamide
SMILES: C(N(C(C(Cl)Cl)=O)CCO)C1=C(Cl)C=C(C=C1)Cl
Compound: protokylol
SMILES: CC(CC1=CC=C2OCOC2=C1)NCC(O)C3=CC=C(O)C(O)=C3
Compound: oxyclipine
SMILES: C(C(O[C@H]1CN(C)CCC1)=O)(O)(C2CCCCC2)C3=CC=CC=C3
Compound: glypinamide
SMILES: S(NC(NN1CCCCCC1)=O)(=O)(=O)C2=CC=C(C=C2)Cl
Compound: dibromol
SMILES: S(=O)(=O)(O)C1=CC(Br)=C(C(=C1)Br)O
Compound: oxitropium
SMILES: C(C)[N+]1(C)[C@H]2[C@@H]3[C@H]([C@@H]1C[C@@H](C2)OC([C@H](CO)C4=CC=CC=C4)=O)O3
Compound: tropatepine
SMILES: CN1C2(CC(CC1(CC2)[H])=C3C=4C(CSC5=C3C=CC=C5)=CC=CC4)[H]
Compound: tetroxoprim
SMILES: O(CCOC)C1=C(OC)C=C(C=C1OC)CC=2C(N)=NC(=NC2)N
Compound: fenalamide
SMILES: C(C(NCCN(CC)CC)=O)(C(OCC)=O)(CC)C1=CC=CC=C1
Compound: progabide
SMILES: C(=NCCCC(N)=O)(C1=C(O)C=CC(=C1)F)C2=CC=C(C=C2)Cl
Compound: sulfachrysoidine
SMILES: N(=N/C1=CC=C(C=C1)S(N)(=O)=O)\C2=C(C(O)=O)C=C(C=C2N)N
Compound: oxeladin
SMILES: C(C(OCCOCCN(CC)CC)=O)(CC)(CC)C1=CC=CC=C1
Compound: norpipanone
SMILES: C(CCN1CCCCC1)(C(CC)=O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: droprenilamine
SMILES: C(CCNC(CC1CCCCC1)C)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: pirifibrate
SMILES: O(C(C(OCC=1N=C(CO)C=CC1)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: nifurzide
SMILES: C(N/N=C/C=C/C=1OC(=CC1)[N+]([O-])=O)(=O)C=2SC(=CC2)[N+]([O-])=O
Compound: buzepide metiodide
SMILES: [I-].C[N+]1(CCC(C(N)=O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCCC1
Compound: nifurfoline
SMILES: C(N1C(=O)N(CC1=O)/N=C/C=2OC(=CC2)[N+](=O)[O-])N3CCOCC3
Compound: disufenton
SMILES: S(=O)(=O)(O)C1=C(C=[N+](C(C)(C)C)[O-])C=CC(=C1)S(=O)(=O)O
Compound: propanidid
SMILES: O(CC(N(CC)CC)=O)C1=C(OC)C=C(C=C1)CC(OCCC)=O
Compound: pargeverine
SMILES: C(C(OCCN(C)C)=O)(OCC#C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: decimemide
SMILES: O(CCCCCCCCCC)C1=C(OC)C=C(C=C1OC)C(N)=O
Compound: fenquizone
SMILES: O=C1C=2C(NC(N1)C3=CC=CC=C3)=CC(=C(C2)S(N)(=O)=O)Cl
Compound: pirmenol
SMILES: C(CCCN1[C@H](C)CCC[C@@H]1C)(O)(C2=CC=CC=C2)C3=CC=CC=N3
Compound: cefacetrile
SMILES: C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CC#N)=O)(SCC1COC(C)=O)[H]
Compound: pipethanate
SMILES: C(C(OCCN1CCCCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: rociverine
SMILES: O[C@]1([C@@H](C(OC(CN(CC)CC)C)=O)CCCC1)C2CCCCC2
Compound: metipamide
SMILES: C(NN(C)C1=CC=CC=C1)(=O)C2=CC(S(N)(=O)=O)=C(C=C2)Cl
Compound: pirisudanol
SMILES: C(OC(CCC(OCCN(C)C)=O)=O)C=1C(CO)=C(O)C(=NC1)C
Compound: poldine
SMILES: C(C(OCC1([N+](C)(C)CCC1)[H])=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: parapenzolate
SMILES: C(C(OC1CC[N+](CC1)(C)C)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: canrenone
SMILES: C[C@@]12[C@]3(CC[C@]1([C@]4([C@](CC2)([C@]5(C)C(C=C4)=CC(CC5)=O)[H])[H])[H])OC(CC3)=O
Compound: medrogestone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(C(=C3)C)=CC(CC4)=O)[H])[H])(CC[C@@]2(C(C)=O)C)[H]
Compound: penthienate
SMILES: C(C(OCC[N+](CC)(CC)C)=O)(O)(C1CCCC1)C2=CC=CS2
Compound: nitroxazepine
SMILES: C(CCN(C)C)N1C2=C(OC=3C(C1=O)=CC(=CC3)[N+](=O)[O-])C=CC=C2
Compound: thebacon
SMILES: O(C(C)=O)C=1[C@]2([C@]34C5=C(O2)C(OC)=CC=C5C[C@]([C@@]3(CC1)[H])(N(CC4)C)[H])[H]
Compound: diseptal B
SMILES: S(NC1=CC=C(C=C1)S(NC)(=O)=O)(=O)(=O)C2=CC=C(C=C2)N
Compound: fenetylline
SMILES: C(CNC(CC1=CC=CC=C1)C)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: clobenztropine
SMILES: C=1C=C(C=CC1Cl)C(OC2C[C@@]3(N([C@](C2)(CC3)[H])C)[H])C=4C=CC=CC4
Compound: acetyldihydrocodeine
SMILES: O(C(C)=O)[C@@H]1[C@]2([C@]34C5=C(O2)C(OC)=CC=C5C[C@]([C@@]3(CC1)[H])(N(CC4)C)[H])[H]
Compound: sultosilic acid
SMILES: O(S(=O)(=O)C1=CC=C(C=C1)C)C2=CC(S(=O)(=O)O)=C(C=C2)O
Compound: piketoprofen
SMILES: C(=O)(C1=CC(C(C(NC2=CC(C)=CC=N2)=O)C)=CC=C1)C3=CC=CC=C3
Compound: formebolone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](C[C@H]3O)(C)[C@@](CC4)(C)O)[H])(CCC1=CC(C(=C2)C=O)=O)[H])[H]
Compound: tribromometacresol
SMILES: CC1=C(Br)C(O)=C(C=C1Br)Br
Compound: trengestone
SMILES: C[C@]12[C@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)C(C)=O)[H])(C=C(C1=CC(C=C2)=O)Cl)[H])[H]
Compound: clorotepine
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(Cl)C=C4
Compound: niclofolan
SMILES: OC1=C(C=C(C=C1[N+]([O-])=O)Cl)C2=C(O)C([N+](=O)[O-])=CC(=C2)Cl
Compound: tretoquinol
SMILES: C(C1=CC(OC)=C(C(=C1)OC)OC)[C@H]2C=3C(=CC(=C(C3)O)O)CCN2
Compound: metofoline
SMILES: C(CC1=CC=C(C=C1)Cl)C2C=3C(=CC(=C(C3)OC)OC)CCN2C
Compound: beclobrate
SMILES: O(C(C(OCC)=O)(CC)C)C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
Compound: chlorproethazine
SMILES: CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(Cl)C=C3
Compound: arsthinol
SMILES: N(C(C)=O)C=1C=C(C=CC1O)[As]2SC(CS2)CO
Compound: nafamostat
SMILES: C(=N)(N)C1=CC=2C(C=C1)=CC(=CC2)OC(=O)C3=CC=C(C=C3)NC(=N)N
Compound: sulbactam pivoxil
SMILES: [H][C@@]12CC(=O)N1[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O
Compound: fedrilate
SMILES: C(OC(CCN1CCOCC1)C)(=O)C2(CCOCC2)C3=CC=CC=C3
Compound: benzpiperylone
SMILES: C(C1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3)C4=CC=CC=C4
Compound: indoramin
SMILES: C(CN1CCC(CC1)NC(=O)C2=CC=CC=C2)C=3C4=C(NC3)C=CC=C4
Compound: clanobutin
SMILES: N(C(=O)C1=CC=C(C=C1)Cl)(CCCC(O)=O)C2=CC=C(C=C2)OC
Compound: embramine
SMILES: C(OCCN(C)C)(C)(C1=CC=C(C=C1)Br)C2=CC=CC=C2
Compound: succisulfone
SMILES: S(=O)(=O)(C1=CC=C(C=C1)NC(CCC(O)=O)=O)C2=CC=C(C=C2)N
Compound: intoplicine
SMILES: N(CCCN(C)C)C=1C=2C3=C4C(=CC=C3NC2C(=CN1)C)C=C(C=C4)O
Compound: leiopyrrole
SMILES: CC=1N(C(=CC1)C2=CC=CC=C2)C3=C(OCCN(CC)CC)C=CC=C3
Compound: ethyl dibunate
SMILES: S(OCC)(=O)(=O)C=1C=2C(C=C(C1)C(C)(C)C)=CC(=CC2)C(C)(C)C
Compound: halocarban
SMILES: C(NC1=CC=C(C=C1)Cl)(NC2=CC=C(C(=C2)C(F)(F)F)Cl)=O
Compound: cinmetacin
SMILES: C(C(O)=O)C=1C2=C(N(C1C)C(/C=C/C3=CC=CC=C3)=O)C=CC(=C2)OC
Compound: dipipanone
SMILES: C(CC(C)N1CCCCC1)(C(CC)=O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: disofenin
SMILES: N(C(CN(CC(O)=O)CC(O)=O)=O)C1=C(C(C)C)C=CC=C1C(C)C
Compound: loretin
SMILES: S(=O)(=O)(O)C1=C2C(=C(C(=C1)I)O)N=CC=C2
Compound: moquizone
SMILES: C(CN1CCOCC1)(=O)N2C=3C(C(N(C2)C4=CC=CC=C4)=O)=CC=CC3
Compound: pipoxolan
SMILES: O=C1C(OC(O1)CCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: phenadoxone
SMILES: C(CC(C)N1CCOCC1)(C(CC)=O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: sulmarin
SMILES: CC=1C=2C(=CC(=C(C2)OS(=O)(=O)O)OS(=O)(=O)O)OC(C1)=O
Compound: posatirelin
SMILES: C([C@](NC(=O)[C@]1(NC(=O)CCC1)[H])([H])CC(C)C)(N2[C@@H](CCC2)C(=O)N)=O
Compound: betoxycaine
SMILES: C(OCCOCCN(CC)CC)(=O)C1=CC(N)=C(C=C1)OCCCC
Compound: quinbolone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC=5CCCC5)[H])(CCC1=CC(C=C2)=O)[H])[H]
Compound: dioxaphetyl butyrate
SMILES: C(CCN1CCOCC1)(C(OCC)=O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: motretinide
SMILES: C(=C/C(=C/C=C/C(=C/C(NCC)=O)/C)/C)\C1=C(C)C(C)=C(C=C1C)OC
Compound: acetylmethadol
SMILES: C(C(OC(C)=O)CC)(CC(N(C)C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: butizide
SMILES: O=S1(=O)C2=C(NC(N1)CC(C)C)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: quinfamide
SMILES: C(C(Cl)Cl)(=O)N1C=2C(=CC(=CC2)OC(=O)C3=CC=CO3)CCC1
Compound: isofezolac
SMILES: C(C(O)=O)C1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: bevonium
SMILES: C(C(OCC1[N+](C)(C)CCCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: benzilonium
SMILES: C(C(OC1C[N+](CC1)(CC)CC)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: eprozinol
SMILES: C(CN1CCN(CC1)CCC(O)C2=CC=CC=C2)(OC)C3=CC=CC=C3
Compound: rioprostil
SMILES: C([C@@]1([C@@](/C=C/CC(CCCC)(O)C)([C@@](CC1=O)(O)[H])[H])[H])CCCCCCO
Compound: xipamide
SMILES: C(NC1=C(C)C=CC=C1C)(=O)C2=CC(S(N)(=O)=O)=C(C=C2O)Cl
Compound: moperone
SMILES: OC1(C2=CC=C(C=C2)C)CCN(CC1)CCCC(=O)C3=CC=C(C=C3)F
Compound: benzomethamine
SMILES: C(C(N(CC[N+](CC)(CC)C)C)=O)(O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: tinofedrine
SMILES: C(=CCN[C@H]([C@H](O)C1=CC=CC=C1)C)(C=2C=CSC2)C=3C=CSC3
Compound: plafibride
SMILES: O(C(C(NC(NCN1CCOCC1)=O)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: tiaramide
SMILES: C(C(=O)N1CCN(CC1)CCO)N2C3=C(SC2=O)C=CC(=C3)Cl
Compound: niaprazine
SMILES: C(CC(NC(=O)C=1C=CC=NC1)C)N2CCN(CC2)C3=CC=C(C=C3)F
Compound: quinestradol
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OC5CCCC5)[H])[H])(C[C@H]([C@@H]2O)O)[H]
Compound: dopexamine
SMILES: C(CNCCCCCCNCCC1=CC=CC=C1)C2=CC(O)=C(C=C2)O
Compound: tevenel
SMILES: [C@@H]([C@H](NC(C(Cl)Cl)=O)CO)(O)C1=CC=C(C=C1)S(N)(=O)=O
Compound: etersalate
SMILES: O(C(C)=O)C1=C(C(OCCOC2=CC=C(C=C2)NC(C)=O)=O)C=CC=C1
Compound: cafedrine
SMILES: C(CN[C@H]([C@H](O)C1=CC=CC=C1)C)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: rebeccamycin
SMILES: CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12
Compound: clometacin
SMILES: C(=O)(C=1C2=C(N(C1C)CC(O)=O)C=C(C=C2)OC)C3=CC=C(C=C3)Cl
Compound: setastine
SMILES: C(OCCN1CCCCCC1)(C)(C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Compound: chlorisondamine
SMILES: ClC=1C2=C(C(=C(C1Cl)Cl)Cl)C[N+](C2)(CC[N+](C)(C)C)C
Compound: bendamustine
SMILES: CN1C=2C(N=C1CCCC(O)=O)=CC(=CC2)N(CCCl)CCCl
Compound: cimetropium
SMILES: C[N+]1(CC2CC2)[C@H]3C[C@@H](C[C@@H]1[C@H]4O[C@@H]34)OC(=O)[C@H](CO)C5=CC=CC=C5
Compound: dimethoxanate
SMILES: CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC3=C1C=CC=C3
Compound: feclemine
SMILES: C(C(CN(CC)CC)CN(CC)CC)(C1CCCCC1)C2=CC=CC=C2
Compound: phentetramine
SMILES: CN1C2=C(N(C(=N2)N(CC(O)C3=CC(O)=CC=C3)C)C)C(N(C1=O)C)=O
Compound: cyclomethycaine
SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(OC3CCCCC3)C=C2
Compound: captodiame
SMILES: C(SCCN(C)C)(C1=CC=C(C=C1)SCCCC)C2=CC=CC=C2
Compound: (S)-nitrendipine
SMILES: C(OCC)(=O)C=1[C@H](C(C(OC)=O)=C(NC1C)C)C2=CC([N+]([O-])=O)=CC=C2
Compound: cetalkonium chloride
SMILES: C([N+](CCCCCCCCCCCCCCCC)(C)C)C1=CC=CC=C1
Compound: haletazole
SMILES: O(CCN(CC)CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl
Compound: carbocromen
SMILES: CC=1C=2C(=CC(=CC2)OCC(OCC)=O)OC(C1CCN(CC)CC)=O
Compound: octocrylene
SMILES: C(=C(C(OCC(CCCC)CC)=O)C#N)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: prenoxdiazine
SMILES: C(CC=1N=C(ON1)CCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: phthalylsulfacetamide
SMILES: C(NC1=CC=C(C=C1)S(NC(C)=O)(=O)=O)(=O)C2=C(C(O)=O)C=CC=C2
Compound: revaprazan
SMILES: C1=CC=C2C(=C1)C(N(CC2)C3=C(C(=NC(=N3)NC=4C=CC(=CC4)F)C)C)C
Compound: solifenacin
SMILES: C(O[C@@H]1C2CCN(C1)CC2)(=O)N3[C@H](C=4C(CC3)=CC=CC4)C5=CC=CC=C5
Compound: dexetimide
SMILES: O=C1[C@@](CCC(N1)=O)(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
Compound: viminol
SMILES: C(N1C(C(CN(C(CC)C)C(CC)C)O)=CC=C1)C2=C(Cl)C=CC=C2
Compound: talinolol
SMILES: O(CC(CNC(C)(C)C)O)C1=CC=C(C=C1)NC(NC2CCCCC2)=O
Compound: lapyrium chloride
SMILES: C(C(NCCOC(CCCCCCCCCCC)=O)=O)[N+]=1C=CC=CC1
Compound: etofibrate
SMILES: O(C(C(OCCOC(=O)C=1C=CC=NC1)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: tribuzone
SMILES: O=C1N(N(C(C1CCC(C(C)(C)C)=O)=O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: benzoxonium chloride
SMILES: [N+](CC1=CC=CC=C1)(CCCCCCCCCCCC)(CCO)CCO
Compound: propyphenazone
SMILES: CC(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Compound: suclofenide
SMILES: O=C1N(C(CC1C2=CC=CC=C2)=O)C3=C(Cl)C=C(C=C3)S(N)(=O)=O
Compound: alkofanone
SMILES: C(S(=O)(=O)C1=CC=C(C=C1)N)(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: caroverine
SMILES: C(CN(CC)CC)N1C2=C(N=C(C1=O)CC3=CC=C(C=C3)OC)C=CC=C2
Compound: ridogrel
SMILES: C(=N\OCCCCC(O)=O)(\C1=CC(C(F)(F)F)=CC=C1)/C=2C=CC=NC2
Compound: cyclovalone
SMILES: C(=C1C(=O)C(=CC2=CC(OC)=C(C=C2)O)CCC1)C3=CC(OC)=C(C=C3)O
Compound: ilaprazole
SMILES: S(CC1=C(C)C(OC)=CC=N1)(=O)C2=NC3=C(N2)C=CC(=C3)N4C=CC=C4
Compound: glibornuride
SMILES: C[C@@]12C(C)(C)[C@@H]([C@@H]([C@@H]1O)NC(NS(=O)(=O)C3=CC=C(C=C3)C)=O)CC2
Compound: piminodine
SMILES: C(OCC)(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3
Compound: pitofenone
SMILES: C(=O)(C1=C(C(OC)=O)C=CC=C1)C2=CC=C(C=C2)OCCN3CCCCC3
Compound: dioxyline
SMILES: C(C=1C=2C(=CC(=C(C2)OC)OC)C=C(N1)C)C3=CC(OC)=C(C=C3)OCC
Compound: tiracizine
SMILES: C(CN(C)C)(=O)N1C=2C(CCC3=C1C=CC=C3)=CC=C(C2)NC(OCC)=O
Compound: phenoperidine
SMILES: C(OCC)(=O)C1(CCN(CC1)CCC(O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: fenbutrazate
SMILES: CC1C(OCCN1CCOC(C(CC)C2=CC=CC=C2)=O)C3=CC=CC=C3
Compound: prucalopride
SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(Cl)=C(N)C3=C2OCC3
Compound: cyclarbamate
SMILES: C(OC(NC1=CC=CC=C1)=O)C2(COC(NC3=CC=CC=C3)=O)CCCC2
Compound: pyritinol
SMILES: C(SSCC=1C(CO)=C(O)C(=NC1)C)C=2C(CO)=C(O)C(=NC2)C
Compound: cethexonium
SMILES: [N+](CCCCCCCCCCCCCCCC)(C)(C)C1C(O)CCCC1
Compound: ketazolam
SMILES: O=C1N2C(C=3C(N(C(C2)=O)C)=CC=C(C3)Cl)(OC(=C1)C)C4=CC=CC=C4
Compound: sulfadiasulfone
SMILES: S(=O)(=O)(C1=C(S(NC(C)=O)(=O)=O)C=C(C=C1)N)C2=CC=C(C=C2)N
Compound: bulaquine
SMILES: N(C(CCCN/C(=C/1\C(OCC1)=O)/C)C)C2=C3C(=CC(=C2)OC)C=CC=N3
Compound: diprafenone
SMILES: C(CCC1=CC=CC=C1)(=O)C2=C(OCC(CNC(CC)(C)C)O)C=CC=C2
Compound: prajmalium
SMILES: O[C@H]1[C@]23[C@]([C@]4([N@+]5([C@]([C@@H]1[C@@H](C4)[C@@H]([C@H]5O)CC)(C2)[H])CCC)[H])(N(C=6C3=CC=CC6)C)[H]
Compound: flavodic acid
SMILES: O(CC(O)=O)C1=C2C(OC(=CC2=O)C3=CC=CC=C3)=CC(=C1)OCC(O)=O
Compound: hydroxyestrone diacetate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OC(C)=O)[H])[H])(C[C@H](C2=O)OC(C)=O)[H]
Compound: elcometrine
SMILES: O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1=C)([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])[H]
Compound: nomegestrol acetate
SMILES: C[C@@]12[C@@](OC(C)=O)(C(C)=O)CC[C@]1([C@]3([C@](CC2)([C@@]4(C(C(=C3)C)=CC(CC4)=O)[H])[H])[H])[H]
Compound: oxypendyl
SMILES: C(CCN1CCN(CC1)CCO)N2C3=C(SC=4C2=NC=CC4)C=CC=C3
Compound: rimexolone
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(C[C@H]([C@@]2(C(CC)=O)C)C)[H]
Compound: penmesterol
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])(CC[C@]2(C)O)[H]
Compound: lorcainide
SMILES: N(C(CC1=CC=CC=C1)=O)(C2CCN(CC2)C(C)C)C3=CC=C(C=C3)Cl
Compound: arotinolol
SMILES: C(N)(=O)C=1SC(=CC1)C=2N=C(SC2)SCC(CNC(C)(C)C)O
Compound: camazepam
SMILES: CN1C=2C(C(=NC(C1=O)OC(N(C)C)=O)C3=CC=CC=C3)=CC(=CC2)Cl
Compound: medroxalol
SMILES: C(CC(NCC(O)C1=CC(C(N)=O)=C(C=C1)O)C)C2=CC3=C(C=C2)OCO3
Compound: prednylidene
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC([C@@]2(C(CO)=O)O)=C)[H]
Compound: meprednisone
SMILES: C[C@@]12[C@]([C@]3([C@](C(C1)=O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(C[C@@H]([C@@]2(C(CO)=O)O)C)[H]
Compound: nabilone
SMILES: OC1=C2C3(C(C(OC2=CC(=C1)C(CCCCCC)(C)C)(C)C)(CCC(C3)=O)[H])[H]
Compound: anagestone acetate
SMILES: O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C([C@H](C3)C)=CCCC4)[H])[H])[H]
Compound: bunazosin
SMILES: NC=1C=2C(N=C(N1)N3CCN(CCC3)C(CCC)=O)=CC(=C(C2)OC)OC
Compound: trospectomycin
SMILES: N(C)[C@@H]1[C@@]2([C@](O[C@]3([C@](O2)(O)C(=O)C[C@H](O3)CCCC)[H])([C@H]([C@@H]([C@@H]1O)NC)O)[H])[H]
Compound: cicaprost
SMILES: C(#C[C@H]([C@H](CC#CCC)C)O)[C@@H]1[C@@]2([C@](C[C@H]1O)(C\C(\C2)=C/COCC(O)=O)[H])[H]
Compound: artisone acetate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@H](CC4)O)[H])[H])(CC[C@@H]2C(COC(C)=O)=O)[H]
Compound: theodrenaline
SMILES: C(CNCC(O)C1=CC(O)=C(C=C1)O)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: fluocortolone
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C([C@H](C3)F)=CC(C=C4)=O)[H])[H])(C[C@H]([C@@H]2C(CO)=O)C)[H]
Compound: hexcarbacholine
SMILES: C([N+](C)(C)C)COC(NCCCCCCNC(OCC[N+](C)(C)C)=O)=O
Compound: lauroguadine
SMILES: N(C(=N)N)C1=C(OCCCCCCCCCCCC)C=CC(=C1)NC(=N)N
Compound: morazone
SMILES: C1=CC=CC(=C1)N2N(C(=C(C2=O)CN3C(C(OCC3)C=4C=CC=CC4)C)C)C
Compound: sulfinalol
SMILES: C(CNC(CCC1=CC=C(C=C1)OC)C)(O)C2=CC(S(C)=O)=C(C=C2)O
Compound: domitroban
SMILES: N(S(=O)(=O)C1=CC=CC=C1)[C@@H]2[C@@H](C/C=C\CCCC(O)=O)[C@H]3C[C@@H]2CC3
Compound: famprofazone
SMILES: C1(N(N(C(=C1C(C)C)CCN(C)C(CC=2C=CC=CC2)C)C)C3=CC=CC=C3)=O
Compound: ronifibrate
SMILES: O(C(C(OCCCOC(=O)C=1C=CC=NC1)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: etoperidone
SMILES: C(C)N1C(CC)=NN(C1=O)CCCN2CCN(CC2)C3=CC(Cl)=CC=C3
Compound: ambroxol
SMILES: C(N[C@H]1CC[C@@H](CC1)O)C2=C(N)C(Br)=CC(=C2)Br
Compound: coumetarol
SMILES: C(COC)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=C(O)C=4C(OC3=O)=CC=CC4
Compound: amosulalol
SMILES: S(N)(=O)(=O)C1=CC(C(CNCCOC2=C(OC)C=CC=C2)O)=CC=C1C
Compound: ecabet
SMILES: C[C@@]12C=3C(=CC(=C(C3)S(=O)(=O)O)C(C)C)CC[C@]1([C@@](C(O)=O)(C)CCC2)[H]
Compound: limaprost
SMILES: C(CCC/C=C/C(O)=O)[C@@H]1[C@@H](/C=C/[C@H](C[C@H](CCCC)C)O)[C@@H](CC1=O)O
Compound: fendosal
SMILES: C(O)(=O)C=1C=C(N2C3=C(C=C2C4=CC=CC=C4)C=5C(CC3)=CC=CC5)C=CC1O
Compound: micinicate
SMILES: C=1N=CC=CC1C(=O)OC(C(O[C@]2(CC(C[C@](C2)(C)[H])(C)C)[H])=O)(C3=CC=CC=C3)[H]
Compound: mebutizide
SMILES: O=S1(=O)C2=C(NC(N1)C(C(CC)C)C)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: tetrofosmin
SMILES: P(CCP(CCOCC)CCOCC)(CCOCC)CCOCC
Compound: alpiropride
SMILES: C(NCC1N(CC=C)CCC1)(=O)C2=C(OC)C=C(C(=C2)S(NC)(=O)=O)N
Compound: veralipride
SMILES: C(NCC1N(CC=C)CCC1)(=O)C2=C(OC)C(OC)=CC(=C2)S(N)(=O)=O
Compound: denaverine
SMILES: C(OCC(CC)CC)(C(OCCN(C)C)=O)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: zipeprol
SMILES: C(C(CN1CCN(CC1)CC(OC)C2=CC=CC=C2)O)(OC)C3=CC=CC=C3
Compound: perimetazine
SMILES: COC1=CC2=C(SC3=CC=CC=C3N2CC(C)CN4CCC(O)CC4)C=C1
Compound: estradiol enanthate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)O)[H])[H])(CC[C@@H]2OC(CCCCCC)=O)[H]
Compound: bamifylline
SMILES: C(CN(CCO)CC)N1C2=C(N=C1CC3=CC=CC=C3)N(C)C(N(C2=O)C)=O
Compound: piposulfan
SMILES: C(CCOS(C)(=O)=O)(=O)N1CCN(CC1)C(CCOS(C)(=O)=O)=O
Compound: medibazine
SMILES: C(N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)(C4=CC=CC=C4)C5=CC=CC=C5
Compound: mebrofenin
SMILES: N(C(CN(CC(O)=O)CC(O)=O)=O)C1=C(C)C(Br)=C(C=C1C)C
Compound: gusperimus
SMILES: N(C(C(NCCCCNCCCN)=O)O)C(CCCCCCNC(=N)N)=O
Compound: oxantel
SMILES: C=1C=C(C=C(C1)O)/C=C/C=2N(CCCN2)C
Compound: benzododecinium
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
Compound: reproterol
SMILES: C(CCNCC(O)C1=CC(O)=CC(=C1)O)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: regadenoson
SMILES: NC1=C2C(N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)=NC(=N1)N4C=C(C=N4)C(NC)=O
Compound: oxamarin
SMILES: CC=1C=2C(=CC(=C(C2)OCCN(CC)CC)OCCN(CC)CC)OC(C1)=O
Compound: biriperone
SMILES: C(CCC(=O)C1=CC=C(C=C1)F)N2CC3(CC=4C=5C(NC4CN3CC2)=CC=CC5)[H]
Compound: dimetotiazine
SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C
Compound: cinepazet
SMILES: O(C)C1=C(OC)C(OC)=CC(=C1)/C=C/C(=O)N2CCN(CC2)CC(OCC)=O
Compound: chloroprednisone
SMILES: C[C@@]12[C@]([C@]3([C@](C(C1)=O)([C@]4(C)C([C@H](C3)Cl)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Compound: cloprednol
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(C(=C3)Cl)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Compound: sulfaloxic acid
SMILES: C(NC1=CC=C(C=C1)S(NC(NCO)=O)(=O)=O)(=O)C2=C(C(O)=O)C=CC=C2
Compound: metaclazepam
SMILES: CN1C=2C(C(=NCC1COC)C3=C(Cl)C=CC=C3)=CC(=CC2)Br
Compound: besifloxacin
SMILES: ClC1=C2N(C=C(C(C2=CC(=C1N3C[C@H](N)CCCC3)F)=O)C(O)=O)C4CC4
Compound: ambuside
SMILES: S(NCC=C)(=O)(=O)C1=C(N=CC=C(C)O)C=C(C(=C1)S(N)(=O)=O)Cl
Compound: diflucortolone
SMILES: F[C@@]12[C@]([C@]3([C@@](C[C@@H]1O)(C)[C@H]([C@@H](C3)C)C(CO)=O)[H])(C[C@@H](C=4[C@]2(C)C=CC(C4)=O)F)[H]
Compound: fluacizine
SMILES: CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
Compound: gemeprost
SMILES: C(=C/[C@H](C(CCCC)(C)C)O)\[C@@H]1[C@@H](CCCC/C=C/C(OC)=O)C(C[C@H]1O)=O
Compound: quinagolide
SMILES: C(CC)N1[C@]2([C@@](CC3=C(C2)C=CC=C3O)(C[C@@H](C1)NS(N(CC)CC)(=O)=O)[H])[H]
Compound: cloricromen
SMILES: CC=1C=2C(=C(Cl)C(=CC2)OCC(OCC)=O)OC(C1CCN(CC)CC)=O
Compound: cefetamet
SMILES: C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C3=CSC(=N3)N)=O)(SCC1C)[H]
Compound: drotaverine
SMILES: C(=C\1/C=2C(=CC(=C(C2)OCC)OCC)CCN1)\C3=CC(OCC)=C(C=C3)OCC
Compound: timiperone
SMILES: S=C1N(C2=C(N1)C=CC=C2)C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
Compound: camostat
SMILES: CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1
Compound: beraprost
SMILES: [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1
Compound: pentagestrone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Compound: pipazetate
SMILES: C(OCCOCCN1CCCCC1)(=O)N2C3=C(SC=4C2=NC=CC4)C=CC=C3
Compound: fursultiamine
SMILES: C=1(N=C(N=CC1CN(/C(=C(/SSCC2OCCC2)\CCO)/C)C=O)C)N
Compound: tiocarlide
SMILES: N(C(NC1=CC=C(C=C1)OCCC(C)C)=S)C2=CC=C(C=C2)OCCC(C)C
Compound: oxyphenisatine acetate
SMILES: O=C1C(C2=C(N1)C=CC=C2)(C3=CC=C(C=C3)OC(C)=O)C4=CC=C(C=C4)OC(C)=O
Compound: fominoben
SMILES: C(N(CC(=O)N1CCOCC1)C)C2=C(NC(=O)C3=CC=CC=C3)C=CC=C2Cl
Compound: bemetizide
SMILES: O=S1(=O)C2=C(NC(N1)C(C)C3=CC=CC=C3)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: pipamazine
SMILES: NC(=O)C1CCN(CCCN2C3=CC=CC=C3SC4=CC=C(Cl)C=C24)CC1
Compound: cinitapride
SMILES: C(NC1CCN(CC1)CC2CCC=CC2)(=O)C3=C(OCC)C=C(C(=C3)[N+]([O-])=O)N
Compound: ethinylestradiol sulfonate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OS(C(C)C)(=O)=O)[H])[H])(CC[C@@]2(O)C#C)[H]
Compound: sulforidazine
SMILES: C1CCCN(C1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(C)(=O)=O)C
Compound: delmadinone acetate
SMILES: O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(=C3)Cl)=CC(C=C4)=O)[H])[H])[H]
Compound: lorajmine
SMILES: O(C(CCl)=O)[C@H]1[C@]23[C@]([C@]4(N5[C@]([C@@H]1[C@@H](C4)[C@@H]([C@H]5O)CC)(C2)[H])[H])(N(C6=C3C=CC=C6)C)[H]
Compound: clocinizine
SMILES: C(N1CCN(CC1)C/C=C/C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)C4=CC=CC=C4
Compound: aminoxytriphene
SMILES: C(=C(CN(C)C)C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
Compound: alpidem
SMILES: C(C(N(CCC)CCC)=O)C1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl
Compound: nicocodine
SMILES: O(C(=O)C=1C=CC=NC1)[C@@H]2[C@]3([C@]45C6=C(O3)C(OC)=CC=C6C[C@]([C@@]4(C=C2)[H])(N(CC5)C)[H])[H]
Compound: aldesulfone
SMILES: S(=O)(=O)(C1=CC=C(C=C1)NCS(=O)O)C2=CC=C(C=C2)NCS(=O)O
Compound: flunarizine
SMILES: C(N1CCN(CC1)C/C=C/C2=CC=CC=C2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Compound: taltirelin
SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(N)=O
Compound: imidapril
SMILES: C1=CC=CC(=C1)CC[C@H](N[C@H](C(N2C(N(C[C@H]2C(O)=O)C)=O)=O)C)C(=O)OCC
Compound: febarbamate
SMILES: C(C)C1(C(=O)N(CC(COCCCC)OC(N)=O)C(NC1=O)=O)C2=CC=CC=C2
Compound: mazaticol
SMILES: C(C(OC1CC2N(C)C(CCC2(C)C)C1)=O)(O)(C3=CC=CS3)C4=CC=CS4
Compound: morclofone
SMILES: O(CCN1CCOCC1)C2=C(OC)C=C(C=C2OC)C(=O)C3=CC=C(C=C3)Cl
Compound: bidisomide
SMILES: C(CCN1CCCCC1)(CCN(C(C)C)C(C)=O)(C(N)=O)C2=C(Cl)C=CC=C2
Compound: ethyl biscoumacetate
SMILES: C(C(OCC)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=C(O)C=4C(OC3=O)=CC=CC4
Compound: omapatrilat
SMILES: C(O)(=O)[C@H]1N2[C@](CCC1)(SCC[C@@H](C2=O)NC([C@H](CC3=CC=CC=C3)S)=O)[H]
Compound: quingestanol acetate
SMILES: O(C(C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])[H])[H]
Compound: trifluperidol
SMILES: OC1(C2=CC(C(F)(F)F)=CC=C2)CCN(CC1)CCCC(=O)C3=CC=C(C=C3)F
Compound: butaperazine
SMILES: CCCC(=O)C1=CC=C2SC3=CC=CC=C3N(CCCN4CCN(C)CC4)C2=C1
Compound: methestrol dipropionate
SMILES: C(C(CC)C1=CC(C)=C(C=C1)OC(CC)=O)(CC)C2=CC(C)=C(C=C2)OC(CC)=O
Compound: iomazenil ((123)I)
SMILES: C(OCC)(=O)C1=C2N(C=N1)C=3C(C(N(C2)C)=O)=C([123I])C=CC3
Compound: tasosartan
SMILES: C(N1C=2C(CCC1=O)=C(C)N=C(N2)C)C3=CC=C(C=C3)C4=C(C=CC=C4)C=5NN=NN5
Compound: reserpiline
SMILES: C(OC)(=O)C=1[C@]2(C[C@@]3(C4=C(C5=C(N4)C=C(C(=C5)OC)OC)CCN3C[C@]2([C@@H](OC1)C)[H])[H])[H]
Compound: nizofenone
SMILES: C(=O)(C1=C(C=CC(=C1)[N+](=O)[O-])N2C(CN(CC)CC)=NC=C2)C3=C(Cl)C=CC=C3
Compound: thiamphenicol glycinate
SMILES: [C@@H]([C@H](O)C1=CC=C(C=C1)S(C)(=O)=O)(NC(C(Cl)Cl)=O)COC(CN)=O
Compound: dichlorisone
SMILES: Cl[C@@]12[C@]([C@]3([C@@](C[C@@H]1Cl)(C)[C@](CC3)(C(COC(C)=O)=O)O)[H])(CCC=4[C@]2(C)C=CC(C4)=O)[H]
Compound: sancycline
SMILES: O[C@]12[C@]([C@H](N(C)C)C(=C(C1=O)C(N)=O)O)(C[C@]3(C(=C2O)C(=O)C4=C(C3)C=CC=C4O)[H])[H]
Compound: teclothiazide
SMILES: O=S1(=O)C2=C(NC(N1)C(Cl)(Cl)Cl)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: rupatadine
SMILES: ClC=1C=C2C(=CC1)C(C3=C(CC2)C=CC=N3)=C4CCN(CC4)CC=5C=C(C)C=NC5
Compound: guaiacol phosphate
SMILES: P(OC1=C(OC)C=CC=C1)(OC2=C(OC)C=CC=C2)(OC3=C(OC)C=CC=C3)=O
Compound: pyrinoline
SMILES: C(O)(C1=CC(C=C1)=C(C2=CC=CC=N2)C3=CC=CC=N3)(C4=CC=CC=N4)C5=CC=CC=N5
Compound: cinepazide
SMILES: O(C)C1=C(OC)C(OC)=CC(=C1)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3
Compound: etodroxizine
SMILES: C(N1CCN(CC1)CCOCCOCCO)(C2=CC=C(C=C2)Cl)(C3=CC=CC=C3)[H]
Compound: amtolmetin guacil
SMILES: C(=O)(C=1N(C)C(=CC1)CC(NCC(OC2=C(OC)C=CC=C2)=O)=O)C3=CC=C(C=C3)C
Compound: levocabastine
SMILES: C1C[C@@](CC[C@@]1(N2C[C@]([C@@](CC2)(C(=O)O)C=3C=CC=CC3)(C)[H])[H])(C#N)C4=CC=C(C=C4)F
Compound: pipebuzone
SMILES: C(C1(CCCC)C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCN(CC4)C
Compound: etofylline clofibrate
SMILES: C(COC(C(OC1=CC=C(C=C1)Cl)(C)C)=O)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O
Compound: mopidamol
SMILES: N(CCO)(CCO)C=1N=C2C(=NC(=NC2=CN1)N(CCO)CCO)N3CCCCC3
Compound: pentacynium chloride
SMILES: C(CCCC[N+](CC[N+]1(C)CCOCC1)(C)C)(C#N)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: nandrolone cyclotate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(CC[C@@H]2OC(=O)C56CCC(CC5)(C=C6)C)[H]
Compound: omoconazole
SMILES: C1=CC(=CC=C1OCCO/C(=C(\N2C=CN=C2)/C)/C3=CC=C(C=C3Cl)Cl)Cl
Compound: alvimopan
SMILES: C[C@@]1([C@@H](C)CN(CC1)C[C@H](CC2=CC=CC=C2)C(NCC(O)=O)=O)C3=CC(O)=CC=C3
Compound: pifarnine
SMILES: CC(C)=CCCC(C)=CCCC(C)=CCN1CCN(CC2=CC3=C(OCO3)C=C2)CC1
Compound: epitizide
SMILES: O=S1(=O)C2=C(NC(N1)CSCC(F)(F)F)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: sozoiodolic acid
SMILES: S(=O)(=O)(O)C1=CC(I)=C(C(=C1)I)O
Compound: fenbenicillin
SMILES: N(C(C(OC1=CC=CC=C1)C2=CC=CC=C2)=O)[C@H]3[C@@]4(N(C3=O)[C@H](C(S4)(C)C)C(O)=O)[H]
Compound: cetotiamine
SMILES: C(N(/C(=C(\SC(OCC)=O)/CCOC(OCC)=O)/C)C=O)C=1C(N)=NC(=NC1)C
Compound: etofamide
SMILES: C(N(CCOCC)C(C(Cl)Cl)=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
Compound: salazosulfadimidine
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)/N=N/C2=CC(C(O)=O)=C(C=C2)O)C=3N=C(C)C=C(N3)C
Compound: mozavaptan
SMILES: C(=O)(N1C=2C(C(CCC1)N(C)C)=CC=CC2)C3=CC=C(C=C3)NC(=O)C4=C(C)C=CC=C4
Compound: dixyrazine
SMILES: CC(CN1CCN(CCOCCO)CC1)CN2C3=CC=CC=C3SC4=C2C=CC=C4
Compound: altropane
SMILES: C(OC)(=O)[C@@H]1[C@@H]2N(C/C=C/I)[C@H](C[C@@H]1C3=CC=C(C=C3)F)CC2
Compound: sarpogrelate
SMILES: C(C(=O)O)CC(OC(COC=1C=CC=CC1CCC=2C=CC=C(C2)OC)([H])CN(C)C)=O
Compound: carbifene
SMILES: C(C(N(CCN(CCC1=CC=CC=C1)C)C)=O)(OCC)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: piritramide
SMILES: C(CCN1CCC(CC1)(C(N)=O)N2CCCCC2)(C#N)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: fluprednidene acetate
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@H](C1)O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])(CC([C@@]2(C(COC(C)=O)=O)O)=C)[H]
Compound: brovincamine
SMILES: C(C)[C@@]12[C@]3(C=4N([C@](C1)(C(OC)=O)O)C=5C(C4CCN3CCC2)=CC=C(C5)Br)[H]
Compound: belotecan
SMILES: O=C1N2C(C=3C(C2)=C(CCNC(C)C)C=4C(N3)=CC=CC4)=CC5=C1COC([C@@]5(CC)O)=O
Compound: lubeluzole
SMILES: N(C)(C1=NC2=C(S1)C=CC=C2)C3CCN(CC3)C[C@@H](COC4=CC(F)=C(C=C4)F)O
Compound: sivelestat
SMILES: C(NCC(O)=O)(=O)C1=C(NS(=O)(=O)C2=CC=C(C=C2)OC(C(C)(C)C)=O)C=CC=C1
Compound: fluperolone
SMILES: F[C@@]12[C@]([C@]3([C@@](C[C@@H]1O)(C)[C@](CC3)(C([C@H](C)OC(=O)C)=O)O)[H])(CCC=4[C@]2(C)C=CC(C4)=O)[H]
Compound: niperotidine
SMILES: C(NC(NCCSCC=1OC(=CC1)CN(C)C)=C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3
Compound: glisolamide
SMILES: S(NC(NC1CCCCC1)=O)(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=NOC(=C3)C
Compound: chlorbenzoxamine
SMILES: C(OCCN1CCN(CC1)CC2=C(C)C=CC=C2)(C3=C(Cl)C=CC=C3)C4=CC=CC=C4
Compound: exatecan
SMILES: N[C@@H]1C2=C3C(C=4N(C3)C(=O)C5=C(C4)[C@](CC)(O)C(OC5)=O)=NC=6C2=C(CC1)C(=C(C6)F)C
Compound: trimazosin
SMILES: O(C)C1=C2C(=CC(=C1OC)OC)C(N)=NC(=N2)N3CCN(CC3)C(OCC(C)(C)O)=O
Compound: cloxotestosterone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC(C(Cl)(Cl)Cl)O)[H])(CCC1=CC(CC2)=O)[H])[H]
Compound: bialamicol
SMILES: C(N(CC)CC)C=1C=C(C=C(C1O)CC=C)C2=CC(CN(CC)CC)=C(C(=C2)CC=C)O
Compound: tigemonam
SMILES: N(C(/C(=N\OCC(O)=O)/C=1N=C(SC1)N)=O)[C@H]2C(C)(C)N(C2=O)OS(=O)(=O)O
Compound: triparanol
SMILES: C(CC1=CC=C(C=C1)Cl)(O)(C2=CC=C(C=C2)OCCN(CC)CC)C3=CC=C(C=C3)C
Compound: flusalan
SMILES: C(NC1=CC(C(F)(F)F)=CC=C1)(=O)C2=C(O)C(Br)=CC(=C2)Br
Compound: ceftezole
SMILES: C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CN3C=NN=N3)=O)(SCC1CSC4=NN=CS4)[H]
Compound: flumedroxone acetate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C([C@H](C3)C(F)(F)F)=CC(CC4)=O)[H])[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]
Compound: pentagestrone acetate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]
Compound: estradiol undecylate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)O)[H])[H])(CC[C@@H]2OC(CCCCCCCCCC)=O)[H]
Compound: deflazacort
SMILES: C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(=N2)C)[H])([C@]4([C@]([C@H](C3)O)([C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H])[H]
Compound: mazipredone
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(CN5CCN(CC5)C)=O)O)[H]
Compound: zuclopenthixol acetate
SMILES: CC(=O)OCCN1CCN(CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(Cl)C=C4)CC1