MonarchInit/C3PO huggingface dataset:
Compound: chelidonine
SMILES: [H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21
Compound: bleomycin A2
SMILES: [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O
Compound: Chelilutine
SMILES: COc1cc(OC)c2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Compound: Cherylline
SMILES: COc1cc2[C@@H](CN(C)Cc2cc1O)c1ccc(O)cc1
Compound: Chlophedianol hydrochloride
SMILES: C=1C=C(C(Cl)=CC1)C(CCN(C)C)(C2=CC=CC=C2)O.Cl
Compound: Chlorhexidine hydrochloride
SMILES: C1(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)=CC=C(Cl)C=C1.Cl.Cl
Compound: Chlormadinone acetate
SMILES: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
Compound: Chlorobiocic acid
SMILES: CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O
Compound: Cibenzoline succinate
SMILES: OC(=O)CCC(=O)O.C1=CC=CC(=C1)C2(C(C2)C3=NCCN3)C=4C=CC=CC4
Compound: Ciclesonide
SMILES: C(COC(C(C)C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(O[C@H](O2)C4CCCCC4)[H])([C@]5([C@]([C@H](C3)O)([C@]6(C)C(CC5)=CC(C=C6)=O)[H])[H])[H]
Compound: ciclopirox olamine
SMILES: [NH3+]CCO.Cc1cc(C2CCCCC2)n([O-])c(=O)c1
Compound: cilnidipine
SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1
Compound: cilostazol
SMILES: O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
Compound: cinnamyl acetate
SMILES: CC(=O)OCC=Cc1ccccc1
Compound: cinnarizine
SMILES: C1CN(CCN1C\C=C\c1ccccc1)C(c1ccccc1)c1ccccc1
Compound: Citric acid monohydrate
SMILES: O.OC(=O)CC(O)(CC(O)=O)C(O)=O
Compound: Citronellyl formate
SMILES: CC(CCOC=O)CCC=C(C)C
Compound: Clebopride malate
SMILES: C1=CC=C(C=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(C(C(=O)[O-])O)C(=O)O
Compound: Clemizole hydrochloride
SMILES: C1=CC2=C(C=C1)N(C(=N2)CN3CCCC3)CC4=CC=C(C=C4)Cl.Cl
Compound: Blestriarene B
SMILES: COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc(OC)c2c1ccc1cc(O)ccc21
Compound: clenbuterol hydrochloride
SMILES: Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Compound: Clidanac
SMILES: C(O)(=O)C1C2=C(CC1)C=C(C(=C2)Cl)C3CCCCC3
Compound: Clinofibrate
SMILES: C1CCC(CC1)(C2=CC=C(C=C2)OC(C(O)=O)(C)CC)C=3C=CC(=CC3)OC(C(=O)O)(C)CC
Compound: clobazam
SMILES: CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc12
Compound: clobetasol propionate
SMILES: [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: Clobetasone butyrate
SMILES: O(C(CCC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@@](C(C2)=O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H]
Compound: Clobutinol hydrochloride
SMILES: Cl.C1=C(C=CC(=C1)CC(C(CN(C)C)C)(O)C)Cl
Compound: Clocapramine dihydrochloride
SMILES: C1CC=2C(N(C=3C1=CC(=CC3)Cl)CCCN4CCC(CC4)(N5CCCCC5)C(N)=O)=CC=CC2.Cl.Cl
Compound: Clofenamide
SMILES: S(N)(=O)(=O)C1=CC(S(N)(=O)=O)=CC=C1Cl
Compound: cloperastine fendizoate
SMILES: C=1C(=C(C=CC1)C(=O)C2=CC(=C(C=C2)O)C=3C=CC=CC3)C(=O)O.C(C=1C=CC=CC1)(C2=CC=C(C=C2)Cl)OCCN3CCCCC3
Compound: Cloperastine hydrochloride
SMILES: C(C=1C=CC=CC1)(C2=CC=C(C=C2)Cl)OCCN3CCCCC3.Cl
Compound: Clorexolone
SMILES: O=C1C2=C(CN1C3CCCCC3)C=C(C(=C2)S(N)(=O)=O)Cl
Compound: Clorprenaline hydrochloride
SMILES: C1=CC=C(C(CNC(C)C)O)C(Cl)=C1.Cl.O
Compound: Clospirazine hydrochloride
SMILES: Cl.C1=CC=C2C(=C1)N(C=3C(S2)=CC=C(C3)Cl)CCCN4CCC5(CC4)NC(CS5)=O
Compound: Clotiapine
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
Compound: Clotiazepam
SMILES: CN1C2=C(C(=NCC1=O)C3=C(Cl)C=CC=C3)C=C(S2)CC
Compound: cloxazolam
SMILES: Clc1ccc2NC(=O)CN3CCOC3(c3ccccc3Cl)c2c1
Compound: colforsin daropate hydrochloride
SMILES: Cl.[H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C
Compound: conivaptan hydrochloride
SMILES: Cl.Cc1nc2CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc3-c2[nH]1
Compound: Copper gluconate
SMILES: [Cu++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
Compound: corynebactin
SMILES: C[C@H]1OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@H]1NC(=O)CNC(=O)c1cccc(O)c1O
Compound: Coumermic acid
SMILES: Cc1c(c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O)C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O
Compound: Coumermycin D
SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](O)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
Compound: Coumeroic acid
SMILES: Cc1c(c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O)C(O)=O
Compound: Crinamidine
SMILES: COc1c2OCOc2cc2c1CN1CC[C@]22[C@H]3O[C@H]3[C@H](O)C[C@@H]12
Compound: Crinine
SMILES: O[C@@H]1C[C@H]2N3CC[C@]2(C=C1)c1cc2OCOc2cc1C3
Compound: Cromoglicate lisetil
SMILES: C12=C(OC(=CC1=O)C(OCC)=O)C=CC=C2OCC(COC=3C4=C(OC(C(=O)OCC)=CC4=O)C=CC3)OC([C@H](CCCCN)N)=O
Compound: crotamiton
SMILES: CCN(C(=O)C=CC)c1ccccc1C
Compound: copper(II) sulfate pentahydrate
SMILES: [Cu++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O
Compound: fluticasone propionate
SMILES: [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
Compound: cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: cyclacillin
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O
Compound: cyclic ADP-beta-D-ribose
SMILES: O[C@@H]1[C@H]2COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4n(cnc4c3=N)[C@H](O2)[C@@H]1O
Compound: Cyclofenil
SMILES: C(C1=CC=C(C=C1)OC(C)=O)(C2=CC=C(C=C2)OC(C)=O)=C3CCCCC3
Compound: Cyclohexyl acetate
SMILES: CC(=O)OC1CCCCC1
Compound: cyclothiazide
SMILES: NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
Compound: Cycotiamine hydrochloride
SMILES: Cl.N1=C(N=CC(=C1N)CN(C=O)/C(=C/2\SC(OCC2)=O)/C)C
Compound: cyphenothrin
SMILES: CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
Compound: DL-Isoprenaline hydrochloride
SMILES: Cl.C=1(C=C(C(O)=CC1)O)C(CNC(C)C)O
Compound: Dalcotidine
SMILES: C1CCCN(C1)CC2=CC=CC(=C2)OCCCNC(NCC)=O
Compound: darifenacin hydrobromide
SMILES: Br.[H][C@]1(CCN(CCc2ccc3OCCc3c2)C1)C(C(N)=O)(c1ccccc1)c1ccccc1
Compound: Daunorubicin hydrochloride
SMILES: C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(C)=O)O)O)=O)OC.Cl
Compound: decanal
SMILES: [H]C(=O)CCCCCCCCC
Compound: Decarboxytetracenomycin F1
SMILES: Cc1cc(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c12
Compound: 3,7,12-trioxo-5beta-cholanic acid
SMILES: [H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(=O)C2)[C@H](C)CCC(O)=O
Compound: N(alpha)-t-butoxycarbonyl-L-asparagine
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(O)=O
Compound: desferrioxamine B mesylate
SMILES: [H+].CS([O-])(=O)=O.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Compound: dehydrorabelomycin
SMILES: Cc1cc(O)c2c3C(=O)c4cccc(O)c4C(=O)c3c(O)cc2c1
Compound: Delapril hydrochloride
SMILES: Cl.N(C([C@@H](N[C@H](C(=O)OCC)CCC1=CC=CC=C1)C)=O)(CC(=O)O)C2CC3=C(C=CC=C3)C2
Compound: delphinidin 3-O-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 2-deoxyribose 5-triphosphate
SMILES: O[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Compound: Deprodone propionate
SMILES: [C@]1(C(C)=O)([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C2)O)[H])[H])(CC1)[H])C)OC(=O)CC
Compound: dequalinium chloride
SMILES: [Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
Compound: descarbamoylnovobiocin
SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Compound: deslanoside
SMILES: [H][C@@]1(C[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
Compound: desmethyldescarbamoylnovobiocin
SMILES: CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c2oc1=O
Compound: Boc-Asn-OPhNO2
SMILES: C=1(C=CC([N+](=O)[O-])=CC1)OC([C@@H](NC(OC(C)(C)C)=O)CC(N)=O)=O
Compound: Dexamethasone palmitate
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@H](C1)O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])(C[C@H]([C@@]2(C(COC(CCCCCCCCCCCCCCC)=O)=O)O)C)[H]
Compound: dexmedetomidine hydrochloride
SMILES: Cl.C[C@H](c1c[nH]cn1)c1cccc(C)c1C
Compound: Dialicor
SMILES: Cl.CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1
Compound: Diamthazole dihydrochloride
SMILES: C1=CC2=C(C=C1OCCN(CC)CC)SC(=N2)N(C)C.Cl.Cl
Compound: Dibenzepin hydrochloride
SMILES: C1(N(C=2C(N(C=3C1=CC=CC3)C)=CC=CC2)CCN(C)C)=O.Cl
Compound: Dibenzthion
SMILES: S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1
Compound: sodium dibunate
SMILES: C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S([O-])(=O)=O.[Na+]
Compound: Boldine
SMILES: COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
Compound: Diethylaminoethyl diphenylhydroxypropionate hydrochloride
SMILES: C=1C=C(C(CC(=O)OCCN(CC)CC)(C=2C=CC=CC2)O)C=CC1.Cl
Compound: Difenidol hydrochloride
SMILES: Cl.C(C=1C=CC=CC1)(C2=CC=CC=C2)(CCCN3CCCCC3)O
Compound: Difeterol hydrochloride
SMILES: C(C=1C=CC=CC1)(C2=CC=CC=C2)OCCN(C(C(C3=CC=CC=C3)O)C)C.Cl
Compound: diflorasone diacetate
SMILES: [H][C@@]12C[C@H](C)[C@](OC(C)=O)(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
Compound: Diflucortolone valerate
SMILES: C(OC(CCCC)=O)C([C@H]1[C@@H](C[C@]2([C@]3([C@@]([C@H](C[C@@]21C)O)(F)[C@]4(C=CC(C=C4[C@H](C3)F)=O)C)[H])[H])C)=O
Compound: Difluprednate
SMILES: CCCC(=O)O[C@@]1(CC[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@]12C)C(=O)COC(C)=O
Compound: dihydro-nogalonic acid methyl ester
SMILES: C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C(=C(C3)CC(OC)=O)C(CC(O)C)=O)O)=O)O
Compound: dihydro-alpha-ergocryptine mesylate
SMILES: CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
Compound: dihydrocodeine phosphate
SMILES: [C@@]123C=4C5=C(C=CC4C[C@@H](N(CC1)C)[C@]2([H])CC[C@@H]([C@@H]3O5)O)OC.P(O)(O)(O)=O
Compound: Bonafousine
SMILES: CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5c([C@H]6CC[C@H]7NCCc8c7n6c6ccccc86)c(O)ccc45)[C@](C2)([C@H]13)C(=O)OC
Compound: dihydroergocristine mesylate
SMILES: CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
Compound: Dihydrokalafungin
SMILES: C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O
Compound: Diisopropylamine dichloroacetate
SMILES: CC(NC(C)C)C.OC(C(Cl)Cl)=O
Compound: dilazep dihydrochloride
SMILES: Cl.Cl.COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN1CCCN(CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1
Compound: dilevalol hydrochloride
SMILES: Cl.C[C@H](CCC1=CC=CC=C1)NC[C@H](O)C1=CC(C(N)=O)=C(O)C=C1
Compound: Dimefline hydrochloride
SMILES: Cl.COc1ccc2c(oc(-c3ccccc3)c(C)c2=O)c1CN(C)C
Compound: dimemorfan phosphate
SMILES: [C@@]123C=4C=C(C=CC4C[C@H]([C@@]1([H])CCCC2)N(CC3)C)C.P(=O)(O)(O)O
Compound: Dimetacrine tartrate
SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12
Compound: dimethothiazine mesylate
SMILES: S1C2=C(N(CC(C)N(C)C)C3=C1C=CC=C3)C=C(C=C2)S(N(C)C)(=O)=O.S(=O)(=O)(C)O
Compound: Dimetindene maleate
SMILES: C=1C=C2C(=CC1)CC(=C2C(C3=CC=CC=N3)C)CCN(C)C.C(/C=C\C(O)=O)(O)=O
Compound: dimorpholamine
SMILES: N(C(=O)N1CCOCC1)(CCN(C(=O)N2CCOCC2)CCCC)CCCC
Compound: echinocandin B
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=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)c1ccc(O)cc1)[C@@H](C)O
Compound: cilofungin
SMILES: CCCCCCCCOc1ccc(cc1)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)c1ccc(O)cc1)[C@@H](C)O
Compound: Dinoprost tromethamine
SMILES: NC(CO)(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
Compound: dioncopeltine A
SMILES: COc1cc(CO)c(-c2ccc3C[C@@H](C)N[C@H](C)c3c2O)c2cccc(O)c12
Compound: 7-epi-dioncophylline A
SMILES: COc1cccc2c(c(C)cc(OC)c12)-c1ccc2C[C@@H](C)N[C@H](C)c2c1O
Compound: dioncophylline C
SMILES: COc1cc(C)c(-c2ccc(O)c3[C@@H](C)N[C@H](C)Cc23)c2cccc(O)c12
Compound: Dioncophyllinol B
SMILES: COc1cc(C)cc2ccc(c(O)c12)-c1ccc2[C@@H](O)[C@@H](C)N[C@H](C)c2c1O
Compound: 2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide
SMILES: [I-].O1C(COC1(C2=CC=CC=C2)C3=CC=CC=C3)C[N+]4(CCCCC4)C
Compound: diphenylpyraline hydrochloride
SMILES: [Cl-].C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1
Compound: (+)-bornyl acetate
SMILES: [C@@]12(C([C@H](CC1)C[C@@H]2OC(C)=O)(C)C)C
Compound: Diponium bromide
SMILES: [Br-].C1CCCC1C(C(OCC[N+](CC)(CC)CC)=O)C2CCCC2
Compound: distigmine bromide
SMILES: [Br-].[Br-].C1(=CC=C[N+](=C1)C)OC(N(CCCCCCN(C(OC=2C=[N+](C=CC2)C)=O)C)C)=O
Compound: Docarpamine
SMILES: O(C(OCC)=O)C1=C(OC(OCC)=O)C=C(C=C1)CCNC([C@H](CCSC)NC(C)=O)=O
Compound: Domiphen bromide
SMILES: C=1C=CC(OCC[N+](C)(C)CCCCCCCCCCCC)=CC1.[Br-]
Compound: domperidone
SMILES: Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Compound: Doramectin
SMILES: [C@@]12(O[C@@H]([C@@H](C)C=C1)C3CCCCC3)C[C@@H]4C[C@](O2)(CC=C([C@@H](O[C@H]5C[C@@H]([C@@H](O[C@H]6CC([C@@H](O)[C@@H](O6)C)OC)[C@@H](O5)C)OC)[C@H](C=CC=C7[C@]8([C@H](C(O4)=O)C=C(C)[C@H]([C@]8(OC7)[H])O)O)C)C)[H]
Compound: Doranidazole
SMILES: C=1N(C(=NC1)[N+](=O)[O-])CO[C@@H]([C@H](CO)O)CO
Compound: Doripenem hydrate
SMILES: O.[C@@H]1(SC2=C(N3C([C@]([C@]3([C@H]2C)[H])([H])[C@@H](C)O)=O)C(O)=O)CN[C@@H](C1)CNS(N)(=O)=O
Compound: dothiepin hydrochloride
SMILES: [Cl-].[H]C(CC[N+]([H])(C)C)=C1c2ccccc2CSc2ccccc12
Compound: doxapram hydrochloride monohydrate
SMILES: O.[Cl-].CCN1CC(CC[NH+]2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1
Compound: doxifluridine
SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Compound: Doxorubicin hydrochloride
SMILES: C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(CO)=O)O)O)=O)OC.Cl
Compound: dromostanolone propionate
SMILES: C1[C@]2([C@]3([C@@]([C@@]4([C@](CC([C@@H](C4)C)=O)(CC3)[H])C)(CC[C@@]2([C@H](C1)OC(CC)=O)C)[H])[H])[H]
Compound: droxidopa
SMILES: N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O
Compound: Dubiusine
SMILES: COc1cc2C(=O)O[C@@H]3[C@@H](OC(C)=O)C=C4CCN(C)[C@H]4[C@@H]3c2cc1OC(=O)CC(C)O
Compound: (S)-duloxetine hydrochloride
SMILES: Cl.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Compound: dydrogesterone
SMILES: [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
Compound: Ebastine
SMILES: C(OC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: ecgonine methyl ester
SMILES: [H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(=O)OC)N2C
Compound: Borrecapine
SMILES: CC(C)=C[C@@H]1C[C@](C)(C=C)[C@@H](N1)C(=O)c1c[nH]c2ccccc12
Compound: edaravone
SMILES: CC1=NN(C(=O)C1)c1ccccc1
Compound: Efloxate
SMILES: O=C1C=2C(OC(=C1)C3=CC=CC=C3)=CC(=CC2)OCC(OCC)=O
Compound: efonidipine hydrochloride
SMILES: Cl.C1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)C=5C=C(C=CC5)[N+](=O)[O-].CCO
Compound: Emorfazone
SMILES: O(CC)C1=C(C=NN(C1=O)C)N2CCOCC2
Compound: emtricitabine
SMILES: Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1
Compound: Enocitabine
SMILES: O[C@@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C(=O)N=C(C=C2)NC(CCCCCCCCCCCCCCCCCCCCC)=O
Compound: Enprostil
SMILES: COC(=O)CCC=C=CC[C@H]1[C@H](/C=C/[C@H](O)COC2=CC=CC=C2)[C@@H](O)CC1=O
Compound: epalrestat
SMILES: C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Compound: Borreline
SMILES: CC1=N[C@H](C(=O)c2c[nH]c3ccccc23)[C@](C)(C1)C=C
Compound: Eperisone hydrochloride
SMILES: C=1(C=CC(=CC1)C(=O)C(C)CN2CCCCC2)CC.Cl
Compound: Ephedrine hydrochloride
SMILES: C=1C=C([C@H]([C@@H](NC)C)O)C=CC1.Cl
Compound: epidihydrocholesterin
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H](O)C2
Compound: Epinorgalanthamine
SMILES: COc1cc2CCNCc2c(O)c1OC
Compound: Epinorlycoramine
SMILES: COc1ccc2CNCC[C@@]34CC[C@@H](O)C[C@@H]3Oc1c24
Compound: Epirizole
SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC
Compound: Epitiostanol
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)O)[H])(CC[C@]1(C[C@H]5[C@@H](C2)S5)[H])[H])[H]
Compound: eplerenone
SMILES: COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
Compound: Epoprostenol sodium
SMILES: [Na+].[C@@H]12[C@@H](O\C(\C1)=C/CCCC(=O)[O-])C[C@H]([C@@H]2/C=C/[C@H](CCCCC)O)O
Compound: epothilone A
SMILES: C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])[H])C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H]
Compound: Borrerine
SMILES: CN1CCc2c([nH]c3ccccc23)C1C=C(C)C
Compound: epothilone B
SMILES: C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])C)C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H]
Compound: eprazinone hydrochloride
SMILES: Cl.Cl.CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
Compound: Epristeride
SMILES: C1C[C@@]2([C@@]3([C@@](CC=C2C=C1C(O)=O)([C@]4([C@@]([C@H](CC4)C(NC(C)(C)C)=O)(CC3)C)[H])[H])[H])C
Compound: Eptazocine hydrobromide
SMILES: Br.[C@@]12(C3=CC(=CC=C3C[C@H](C1)CN(CC2)C)O)C
Compound: ergometrine maleate
SMILES: OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO)c34
Compound: erythromycin ethylsuccinate
SMILES: CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
Compound: esatenolol
SMILES: CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1
Compound: Esmeraldin B
SMILES: CC(OC(=O)c1c(C)cccc1O)c1cccc2nc3c(cc4N5c6cccc(C(O)=O)c6Nc6cccc(C(C)c4c3nc12)c56)C(O)=O
Compound: Esonarimod
SMILES: C=1C=C(C=CC1C)C(=O)CC(CSC(C)=O)C(O)=O
Compound: Borreverine
SMILES: CNCCc1c([nH]c2ccccc12)[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C
Compound: Estradiol dipropionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]12C
Compound: Estradiol valerate
SMILES: CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Compound: estramustine sodium phosphate
SMILES: [Na+].[Na+].[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP([O-])([O-])=O
Compound: Etamsylate
SMILES: C=1C(=C(C=CC1O)O)S(=O)(O)=O.C(C)NCC
Compound: ethenzamide
SMILES: CCOC1=CC=CC=C1C(N)=O
Compound: Ethiazide
SMILES: CCC1NC=2C=C(Cl)C(=CC2S(N1)(=O)=O)S(N)(=O)=O
Compound: Ethoheptazine citrate
SMILES: C1(C2(C(OCC)=O)CCCN(CC2)C)=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Compound: profenamine hydrochloride
SMILES: Cl.CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Compound: Ethyl L-cysteine hydrochloride
SMILES: [C@@H](C(OCC)=O)(CS)N.Cl
Compound: boschniakine
SMILES: C[C@@H]1CCc2c(C=O)cncc12
Compound: ethyl isovalerate
SMILES: CCOC(CC(C)C)=O
Compound: ethyl linoleate
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
Compound: Ethyl loflazepate
SMILES: FC1=C(C=2C=3C(NC(C(N2)C(OCC)=O)=O)=CC=C(C3)Cl)C=CC=C1
Compound: ethylparaben
SMILES: C(=O)(C1=CC=C(C=C1)O)OCC
Compound: ethyl piperidinoacetylaminobenzoate
SMILES: C(OCC)(=O)C1=CC=C(C=C1)NC(CN2CCCCC2)=O
Compound: ethylestrenol
SMILES: CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
Compound: Boschnialactone
SMILES: C[C@@H]1CC[C@@H]2CC(=O)OC[C@H]12
Compound: ethynodiol diacetate
SMILES: [H][C@]12CC[C@H](OC(C)=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C
Compound: Etifelmine hydrochloride
SMILES: Cl.C=1C=CC=CC1C(C2=CC=CC=C2)=C(CC)CN
Compound: Etilefrine hydrochloride (TN)
SMILES: C1(=CC=CC(C(CNCC)O)=C1)O.Cl
Compound: Etizolam
SMILES: CC=1N2C3=C(C(=NCC2=NN1)C4=C(Cl)C=CC=C4)C=C(S3)CC
Compound: Etomidoline
SMILES: N(C1C2=C(C(N1CC)=O)C=CC=C2)C3=CC=C(C=C3)OCCN4CCCCC4
Compound: exalamide
SMILES: CCCCCCOc1ccccc1C(N)=O
Compound: Exametazime
SMILES: CC(CN[C@@H](/C(=N/O)/C)C)(CN[C@@H](/C(=N/O)/C)C)C
Compound: Exatecan mesilate hydrate
SMILES: S(=O)(=O)(C)O.O.C=1(C(=CC=2C=3C1CC[C@@H](C3C4=C(N2)C=5N(C4)C(C6=C(C5)[C@](C(OC6)=O)(CC)O)=O)N)F)C.O
Compound: fabesetron
SMILES: N12C3=C(C(=C1CC[C@@H](C2=O)CC4=C(C)NC=N4)C)C=CC=C3
Compound: Fadrozole hydrochloride
SMILES: C1(=CC=C(C=C1)C#N)C2N3C(CCC2)=CN=C3.Cl
Compound: botrydial
SMILES: [H][C@@]12[C@H](C[C@@H](C)[C@H](C=O)[C@]1(O)[C@](C)(CC2(C)C)C=O)OC(C)=O
Compound: Falecalcitriol
SMILES: C\1(/C[C@H](C[C@@H](C1=C)O)O)=C/C=C/2\CCC[C@]3([C@]2(CC[C@@]3([C@](C)(CCCC(C(F)(F)F)(O)C(F)(F)F)[H])[H])[H])C
Compound: Faropenem sodium
SMILES: [Na+].C[C@@H](O)[C@@H]1[C@H]2SC(C3CCCO3)=C(N2C1=O)C([O-])=O
Compound: Fasoracetam
SMILES: O=C([C@H]1CCC(=O)N1)N1CCCCC1
Compound: fasudil hydrochloride
SMILES: Cl.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2
Compound: Fe(CN)2
SMILES: N#C[Fe]C#N
Compound: iron tricyanide
SMILES: N#C[Fe](C#N)C#N
Compound: febuxostat
SMILES: C1(=CC(=C(C=C1)OCC(C)C)C#N)C2=NC(=C(S2)C(=O)O)C
Compound: biphenyl-4-ylacetic acid
SMILES: OC(=O)Cc1ccc(cc1)-c1ccccc1
Compound: Felbinac ethyl
SMILES: C1(=CC=C(CC(=O)OCC)C=C1)C2=CC=CC=C2
Compound: fenbufen
SMILES: OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Compound: Fenipentol
SMILES: CCCCC(C1=CC=CC=C1)O
Compound: fenoterol hydrobromide
SMILES: Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Compound: fentanyl citrate
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=O)N(C1CCN(CC1)CCc1ccccc1)c1ccccc1
Compound: Feprazone
SMILES: O=C1N(N(C(C1CC=C(C)C)=O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: Ferric citrate (59 Fe)
SMILES: C(C(CC([O-])=O)(CC([O-])=O)O)(=O)[O-].[59Fe+3]
Compound: Ferrotrenine
SMILES: O.O.C/C=N/C(C(=O)[O-])C(C)O.[Fe+2].C/C=N/C(C(=O)[O-])C(C)O
Compound: Ferrous fumarate
SMILES: C(/C=C/C([O-])=O)([O-])=O.[Fe+2]
Compound: Ferrous gluconate
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[O-]C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O.[Fe+2].O.O
Compound: Bougainvillein-r-I
SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Fezatione
SMILES: C=1(N(C(SC1)=S)\N=C\C2=CC=C(C=C2)C)C3=CC=CC=C3
Compound: Floctafenine
SMILES: C(F)(F)(F)C1=C2C(C(NC3=C(C(OCC(CO)O)=O)C=CC=C3)=CC=N2)=CC=C1
Compound: Flomoxef sodium
SMILES: [C@]1([C@@]2(N(C(=C(CSC=3N(N=NN3)CCO)CO2)C(=O)[O-])C1=O)[H])(CC(=O)CSC(F)F)OC.[Na+]
Compound: Flopropione
SMILES: C(CC)(=O)C1=C(O)C=C(C=C1O)O
Compound: flucloxacillin sodium
SMILES: [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C([O-])=O
Compound: 2-deoxy-2-((18)F)fluoro-alpha-D-glucose
SMILES: [H][C@]1([18F])[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Compound: fludiazepam
SMILES: CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc12
Compound: bowdichione
SMILES: COC1=CC(=O)C(=CC1=O)c1coc2cc(O)ccc2c1=O
Compound: flumethasone pivalate
SMILES: [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Compound: Flunarizine hydrochloride
SMILES: C(C1=CC=C(F)C=C1)(C2=CC=C(C=C2)F)N3CCN(CC3)C/C=C/C4=CC=CC=C4.Cl.Cl
Compound: flunitrazepam
SMILES: C=12C(C=3C=CC=CC3F)=NCC(N(C1C=CC(=C2)[N+](=O)[O-])C)=O
Compound: fluocinolone acetonide
SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Compound: fluorescein (lactone form)
SMILES: OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1
Compound: fluorometholone
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12
Compound: Flurazepam monohydrochloride
SMILES: Cl.C1(=NCC(N(C=2C1=CC(=CC2)Cl)CCN(CC)CC)=O)C=3C=CC=CC3F
Compound: Flurbiprofen axetil
SMILES: C1=C(C(=CC(=C1)C(C(OC(OC(C)=O)C)=O)C)F)C2=CC=CC=C2
Compound: Flutazolam
SMILES: FC1=C(C23C=4C(N(C(CN2CCO3)=O)CCO)=CC=C(C4)Cl)C=CC=C1
Compound: Flutoprazepam
SMILES: C(N1C=2C(C(=NCC1=O)C3=C(F)C=CC=C3)=CC(=CC2)Cl)C4CC4
Compound: bracteatin
SMILES: Oc1cc(O)c2C(=O)C(Oc2c1)=Cc1cc(O)c(O)c(O)c1
Compound: flutropium bromide
SMILES: [N@+]1([C@]2(C[C@H](OC(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)=O)C[C@@]1(CC2)[H])[H])(CCF)C.[Br-]
Compound: Fominoben hydrochloride
SMILES: C1=CC(=C(C(=C1)NC(C2=CC=CC=C2)=O)CN(CC(N3CCOCC3)=O)C)Cl.Cl
Compound: fondaparinux sodium
SMILES: [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
Compound: Fosfluconazole
SMILES: OP(O)(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Compound: Fridamycin E
SMILES: C[C@](O)(CC(O)=O)Cc1ccc2C(=O)c3c(O)cccc3C(=O)c2c1O
Compound: Fudosteine
SMILES: [C@H](CSCCCO)(C(O)=O)N
Compound: fulvestrant
SMILES: C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O
Compound: Fungichromin
SMILES: CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O
Compound: Bracteoline
SMILES: COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(-c2cc1O)c34
Compound: Furazabol
SMILES: C1C=2C(C[C@@]3([C@@]4([C@@](CC[C@@]13[H])([C@]5([C@](C)(CC4)[C@](CC5)(O)C)[H])[H])[H])C)=NON2
Compound: gabexate methanesulfonate
SMILES: C1(=CC=C(C=C1)C(OCC)=O)OC(CCCCCNC(N)=N)=O.S(=O)(=O)(C)O
Compound: gadodiamide hydrate
SMILES: [H]O[H].CNC1=[O][Gd+3]234567[O-]C(=O)C[N]2(CC[N]3(CC(=O)[O-]4)C1)CC[N]5(CC(=O)[O-]6)CC(NC)=[O]7
Compound: gadoteridol
SMILES: [H][O]1C(C)C[N]23CC[N]45CC[N]67CC[N]8(CC2)CC(=O)[O-][Gd+3]13468([O-]C(=O)C5)[O-]C(=O)C7
Compound: gadoversetamide
SMILES: [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O
Compound: Gallium Citrate (67 Ga)
SMILES: C(CC([O-])=O)(CC([O-])=O)(C([O-])=O)O.[67Ga+3]
Compound: Gefarnate
SMILES: C(=C/CCC(OC/C=C(/CCC=C(C)C)\C)=O)(\CC/C=C(/CCC=C(C)C)\C)/C
Compound: gemcitabine hydrochloride
SMILES: [H+].[Cl-].Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
Compound: (E)-geranyl formate
SMILES: [H]C(=O)OC\C=C(/C)CCC=C(C)C
Compound: teprenone
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)=CCCC(C)=O
Compound: bradykinin
SMILES: N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Compound: Gestonorone caproate
SMILES: O(C(CCCCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])[H]
Compound: Gimeracil
SMILES: OC=1C(Cl)=CNC(C1)=O
Compound: glafenine
SMILES: OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12
Compound: gliclazide
SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
Compound: Glybuzole
SMILES: N(S(=O)(=O)C1=CC=CC=C1)C=2SC(=NN2)C(C)(C)C
Compound: Glyclopyramide
SMILES: C1=C(C=CC(=C1)S(NC(NN2CCCC2)=O)(=O)=O)Cl
Compound: glymidine sodium
SMILES: S([N-]C=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2.[Na+]
Compound: Gusperimus hydrochloride
SMILES: C(CCCCCNC(N)=N)C(NC(O)C(=O)NCCCCNCCCN)=O.Cl.Cl.Cl
Compound: Haemanthidine
SMILES: CO[C@H]1C[C@@H]2N3C[C@H](O)[C@@]2(C=C1)c1cc2OCOc2cc1C3O
Compound: Halcinonide
SMILES: C(CCl)(=O)[C@]12[C@@]3([C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(CC5)=O)[H])[H])C
Compound: Haloperidol decanoate
SMILES: O(C(CCCCCCCCC)=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
Compound: Halopredone acetate
SMILES: F[C@@]12[C@]([C@]3([C@@](C[C@@H]1O)(C)[C@](CC3)(C(COC(C)=O)=O)OC(C)=O)[H])(C[C@H](C=4[C@]2(C)C=C(C(C4)=O)Br)F)[H]
Compound: Haloxazolam
SMILES: FC1=C(C23C=4C(NC(CN2CCO3)=O)=CC=C(C4)Br)C=CC=C1
Compound: Hamayne
SMILES: O[C@H]1CN2Cc3cc4OCOc4cc3[C@]11C=C[C@H](O)C[C@H]21
Compound: Hepronicate
SMILES: C(COC(=O)C=1C=CC=NC1)(COC(=O)C=2C=CC=NC2)(COC(=O)C=3C=CC=NC3)CCCCCC
Compound: hexestrol
SMILES: C=1C=C(C=CC1O)C(CC)C(CC)C2=CC=C(C=C2)O
Compound: Brassicanal A
SMILES: CSc1[nH]c2ccccc2c1C=O
Compound: hexoprenaline sulfate
SMILES: C=1(C=C(C(O)=CC1)O)C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O.S(O)(O)(=O)=O
Compound: Homochlorcyclizine hydrochloride
SMILES: Cl.C1N(CCN(CC1)C)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
Compound: hydralazine hydrochloride
SMILES: Cl.NNc1nncc2ccccc12
Compound: cortisol 17-butyrate
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCC)C(=O)CO
Compound: Hydrocortisone butyrate propionate
SMILES: CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
Compound: hydrocortisone caproate
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCCCC
Compound: hydrocortisone succinate
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCC(O)=O
Compound: Hydroxysanguinarine
SMILES: Cn1c2c(ccc3cc4OCOc4cc23)c2ccc3OCOc3c2c1=O
Compound: brassicasterol
SMILES: [C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H]
Compound: hydroxyzine pamoate
SMILES: OCCOCC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccc(Cl)cc1.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C([O-])=O)C([O-])=O
Compound: Hyoscyamine methylbromide
SMILES: [Br-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
Compound: Hypadil (TN)
SMILES: O(CC(CNC(C)C)O)C1=C2C(CC(CO2)O[N+](=O)[O-])=CC=C1
Compound: I-123 BMIPP
SMILES: CC(CCCCCCCCCCCCc1ccc([123I])cc1)CC(O)=O
Compound: Ibudilast
SMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
Compound: Ibuprofen piconol
SMILES: C(C(OCC1=CC=CC=N1)=O)(C)C2=CC=C(C=C2)CC(C)C
Compound: Idarubicin hydrochloride
SMILES: Cl.C1=CC=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(C)=O)O)O)=O
Compound: idebenone
SMILES: COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
Compound: Ifenprodil tartrate
SMILES: C=1C=C(C=CC1O)C(O)C(C)N2CCC(CC2)CC3=CC=CC=C3.OC([C@@H]([C@H](C(O)=O)O)O)=O.C=1C=C(C=CC1O)C(O)C(C)N2CCC(CC2)CC3=CC=CC=C3
Compound: Iguratimod
SMILES: C1=C(C(=CC2=C1OC=C(C2=O)NC=O)OC3=CC=CC=C3)NS(C)(=O)=O
Compound: imatinib methanesulfonate
SMILES: CS(O)(=O)=O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Compound: Imidapril hydrochloride
SMILES: Cl.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: 1-deoxy-1-iminoerythritol 4-phosphate
SMILES: OC(COP(O)(O)=O)C(O)C=N
Compound: Improsulfan tosylate
SMILES: CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.C1=CC(=CC=C1S(O)(=O)=O)C
Compound: indigo carmine
SMILES: C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O.[Na+].[Na+]
Compound: indocyanine green
SMILES: [Na+].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C
Compound: indolin-2-one
SMILES: O=C1Cc2ccccc2N1
Compound: Indomethacin farnesil
SMILES: C1(CC(OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)=O)=C(C)N(C2=C1C=C(C=C2)OC)C(C3=CC=C(Cl)C=C3)=O
Compound: myo-inositol hexanicotinate
SMILES: O=C(O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1
Compound: brazilin
SMILES: [H][C@@]12c3ccc(O)cc3OC[C@]1(O)Cc1cc(O)c(O)cc21
Compound: Iobenzamic acid
SMILES: C(N(CCC(O)=O)C1=CC=CC=C1)(=O)C2=C(I)C(N)=C(C=C2I)I
Compound: iobitridol
SMILES: CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
Compound: Iocarmic acid
SMILES: N(C(CCCCC(NC1=C(I)C(C(NC)=O)=C(C(=C1I)C(O)=O)I)=O)=O)C2=C(I)C(C(NC)=O)=C(C(=C2I)C(O)=O)I
Compound: iodamide
SMILES: CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
Compound: iodipamide dimeglumine
SMILES: OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C([O-])=O)I)I)I)C([O-])=O)I
Compound: iodixanol
SMILES: CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Compound: Iodoxamic acid
SMILES: N(C(CCOCCOCCOCCOCCC(NC1=C(I)C(C(O)=O)=C(C=C1I)I)=O)=O)C2=C(I)C(C(O)=O)=C(C=C2I)I
Compound: Iofetamine hydrochloride I 123
SMILES: C(C(NC(C)C)C)C1=CC=C(C=C1)[123I]
Compound: iohexol
SMILES: CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Compound: bremazocine
SMILES: CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C
Compound: iomeprol
SMILES: CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Compound: iopamidol
SMILES: C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
Compound: Iotalamic acid
SMILES: C(NC)(=O)C1=C(I)C(C(O)=O)=C(C(=C1I)NC(C)=O)I
Compound: Iothalamate meglumine
SMILES: C=1(I)C(=C(C(=C(C1C(NC)=O)I)NC(C)=O)I)C(=O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Compound: Iotrolan
SMILES: N(C(CC(N(C)C1=C(I)C(C(NC(C(CO)O)CO)=O)=C(C(=C1I)C(NC(C(CO)O)CO)=O)I)=O)=O)(C)C2=C(I)C(C(NC(C(CO)O)CO)=O)=C(C(=C2I)C(NC(C(CO)O)CO)=O)I
Compound: Iotroxic acid
SMILES: N(C(COCCOCCOCC(NC1=C(I)C(C(O)=O)=C(C=C1I)I)=O)=O)C2=C(I)C(C(O)=O)=C(C=C2I)I
Compound: Ioversol
SMILES: C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
Compound: ioxaglic acid
SMILES: CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I
Compound: ipriflavone
SMILES: CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
Compound: bretylium
SMILES: CC[N+](C)(C)Cc1ccccc1Br
Compound: Iproheptine hydrochloride
SMILES: CC(CCCC(NC(C)C)C)C.Cl
Compound: Irsogladine maleate
SMILES: N1=C(N=C(N=C1N)C2=C(C=CC(=C2)Cl)Cl)N.C(/C=C\C(O)=O)(O)=O
Compound: isepamicin sulfate
SMILES: S(O)(O)(=O)=O.[C@@H]1(O[C@H](O[C@H]2[C@@H]([C@H]([C@@H](C[C@@H]2N)NC([C@H](CN)O)=O)O[C@H]3OC[C@@]([C@@H]([C@H]3O)NC)(O)C)O)[C@H](O)[C@@H](O)[C@@H]1O)CN
Compound: Ismine
SMILES: CNc1ccccc1-c1cc2OCOc2cc1CO
Compound: Isoaminile citrate
SMILES: C(CC(O)=O)(C(O)=O)(O)CC(O)=O.C(C)(C(C1=CC=CC=C1)(C#N)CC(N(C)C)C)C
Compound: isoamyl acetate
SMILES: CC(C)CCOC(C)=O
Compound: isoamyl formate
SMILES: [H]C(=O)OCCC(C)C
Compound: Isoamyl isovalerate
SMILES: CC(C)CCOC(=O)CC(C)C
Compound: Isoniazid calcium pyruvate
SMILES: C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O.[Ca+2].C1(=CC=NC=C1)C(N/N=C(/C([O-])=O)\C)=O
Compound: bretylium tosylate
SMILES: Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(C)Cc1ccccc1Br
Compound: Isopaque
SMILES: C=1(C(=C(C(=C(I)C1N(C(=O)C)C)NC(C)=O)I)C([O-])=O)I.[Na+]
Compound: isopropyl unoprostone
SMILES: CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
Compound: Isoshinanolone
SMILES: C[C@@H]1CC(=O)c2c(O)cccc2[C@@H]1O
Compound: Isothipendyl hydrochloride
SMILES: C=1C=C2C(SC3=C(N=CC=C3)N2CC(N(C)C)C)=CC1.Cl
Compound: Isoxsuprine hydrochloride
SMILES: C1(C(C(C)NC(COC2=CC=CC=C2)C)O)=CC=C(C=C1)O.Cl
Compound: Israpafant
SMILES: C1(=N[C@@H](C=2N(C3=C1C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=NN2)C)C)C=5C(Cl)=CC=CC5
Compound: jadomycin B
SMILES: C1=CC(=C2C(=C1)C(C3=C(C2=O)N4C(C5=C3C(=CC(=C5)C)O)(OC([C@@]4([C@H](CC)C)[H])=O)[H])=O)O[C@@H]6O[C@H]([C@@H]([C@@H](C6)O)O)C
Compound: josamycin
SMILES: CO[C@H]1[C@@H](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]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O
Compound: Brevicolline
SMILES: CN1CCC[C@H]1c1cnc(C)c2[nH]c3ccccc3c12
Compound: Kad 1229
SMILES: N1(C(=O)C[C@@H](C([O-])=O)CC2=CC=CC=C2)C[C@]3([H])[C@@]([H])(CCCC3)C1.[Ca+2].N4(C(=O)C[C@@H](C([O-])=O)CC5=CC=CC=C5)C[C@]6([H])[C@@]([H])(CCCC6)C4
Compound: kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Compound: kaempferol 3-O-beta-D-galactoside
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O
Compound: kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(oc5cc(O)cc(O)c5c4=O)-c4ccc(O)cc4)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](O)[C@@H]1O
Compound: kainic acid
SMILES: CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Compound: aldehydo-D-kanosamine
SMILES: [H]C(=O)[C@H](O)[C@@H](N)[C@H](O)[C@H](O)CO
Compound: 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose
SMILES: N[C@@H]1[C@@H](O)C(O)O[C@H](COP(O)(O)=O)[C@H]1O
Compound: kebuzone
SMILES: CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Compound: brimonidine
SMILES: Brc1c(NC2=NCCN2)ccc2nccnc12
Compound: ketotifen fumarate
SMILES: C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O.C(/C=C/C(O)=O)([O-])=O
Compound: kinamycin D
SMILES: CC(=O)O[C@@H]1[C@@H](O)c2c([C@@H](OC(C)=O)[C@@]1(C)O)c(=[N+]=[N-])c1c2c(=O)c2cccc(O)c2c1=O
Compound: kinobscurinone
SMILES: CC1=CC2=C(C3=C(C2=O)C(=O)C2=C(O)C=CC=C2C3=O)C(O)=C1
Compound: leucomycin V
SMILES: CO[C@H]1[C@H](O)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]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
Compound: Korupensamine A
SMILES: COc1cc(C)cc2c(ccc(O)c12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12
Compound: L-4-hydroxyphenylglycine
SMILES: N[C@H](C(O)=O)c1ccc(O)cc1
Compound: Lafutidine
SMILES: C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(CS(CC3=CC=CO3)=O)=O
Compound: brinzolamide
SMILES: CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Compound: Landiolol hydrochloride
SMILES: Cl.[C@@H]1(OC(OC1)(C)C)COC(CCC=2C=CC(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)=CC2)=O
Compound: Lanoconazole
SMILES: C(\C#N)(=C/1\SC(CS1)C2=C(C=CC=C2)Cl)/N3C=CN=C3
Compound: lanperisone hydrochloride
SMILES: Cl.C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F
Compound: laricitrin
SMILES: COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Compound: Laudanosoline
SMILES: CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Compound: Lazabemide hydrochloride
SMILES: C1=C(C=CC(C(NCCN)=O)=N1)Cl.Cl
Compound: lead diacetate
SMILES: CC1=[O][Pb]2(O1)OC(C)=[O]2
Compound: Lefetamine hydrochloride
SMILES: [Cl-].C=1(C[C@@H]([NH+](C)C)C2=CC=CC=C2)C=CC=CC1
Compound: Lemildipine
SMILES: C1(C2=C(C(=CC=C2)Cl)Cl)C(=C(NC(=C1C(OC(C)C)=O)COC(N)=O)C)C(OC)=O
Compound: Lercanidipine hydrochloride
SMILES: Cl.C1(C=2C=C(C=CC2)[N+](=O)[O-])C(=C(NC(C)=C1C(OC)=O)C)C(OC(CN(CCC(C=3C=CC=CC3)C=4C=CC=CC4)C)(C)C)=O
Compound: levobupivacaine hydrochloride (anhydrous)
SMILES: Cl.CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
Compound: Levomepromazine hydrochloride
SMILES: S1C2=C(N(C3=C1C=CC(=C3)OC)C[C@@H](CN(C)C)C)C=CC=C2.Cl
Compound: Liranaftate
SMILES: CN(C1=NC(=CC=C1)OC)C(=S)OC2=CC3=C(CCCC3)C=C2
Compound: lisuride maleate
SMILES: [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](CN2C)NC(=O)N(CC)CC)c34
Compound: Livostin (TN)
SMILES: C=1(C=CC(=CC1)F)[C@]2(CC[C@@H](CC2)N3CC[C@]([C@@H](C3)C)(C(=O)O)C4=CC=CC=C4)C#N.Cl
Compound: Lobenzarit disodium
SMILES: C=1C(=C(C=C(Cl)C1)NC2=CC=CC=C2C(=O)[O-])C([O-])=O.[Na+].[Na+]
Compound: lofepramine hydrochloride
SMILES: Cl[H].CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Compound: lopinavir
SMILES: CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Compound: lornoxicam
SMILES: CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
Compound: loteprednol etabonate
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)OCC)C(=O)OCCl
Compound: Loxiglumide
SMILES: C(C(N(CCCCC)CCCOC)=O)(NC(=O)C1=CC(Cl)=C(C=C1)Cl)CCC(O)=O
Compound: loxoprofen sodium hydrate
SMILES: O.O.[Na+].CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1
Compound: luteolin 7-O-neohesperidoside
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Lycoramine
SMILES: COc1ccc2CN(C)CC[C@@]34CC[C@H](O)C[C@@H]3Oc1c24
Compound: Lynestrenol
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Compound: Mabuterol hydrochloride
SMILES: C1(=C(C=C(C=C1C(F)(F)F)C(CNC(C)(C)C)O)Cl)N.Cl
Compound: Mafenide acetate
SMILES: C1(S(=O)(=O)N)=CC=C(CN)C=C1.C(C)(O)=O
Compound: magnesium carbonate
SMILES: [Mg++].[O-]C([O-])=O
Compound: magnesium sulfate heptahydrate
SMILES: [Mg++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O
Compound: gadopentetate dimeglumine
SMILES: [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
Compound: Malotilate
SMILES: C(C(OC(C)C)=O)(C(OC(C)C)=O)=C1SC=CS1
Compound: malvidin 3-O-beta-D-glucoside
SMILES: COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Manidipine dihydrochloride
SMILES: C=1C=C(C=C(C2C(=C(NC(=C2C(=O)OCCN3CCN(C(C4=CC=CC=C4)C5=CC=CC=C5)CC3)C)C)C(=O)OC)C1)[N+](=O)[O-].Cl.Cl
Compound: Maxacalcitol
SMILES: C[C@@]12[C@](/C(=C/C=C/3\C(=C)[C@@H](O)C[C@@H](C3)O)/CCC1)(CC[C@@]2([C@@H](OCCC(C)(C)O)C)[H])[H]
Compound: Mazaticol hydrochloride
SMILES: Cl.CN1C2CCC(C)(C)C1CC(C2)OC(=O)C(O)(c1cccs1)c1cccs1
Compound: Mebhydrolin napadisilate
SMILES: C=1C=C2C(N(C3=C2CN(C)CC3)CC4=CC=CC=C4)=CC1.C5=CC=C6C(=C5S(O)(=O)=O)C=CC=C6S(O)(=O)=O.C=7C=C8C(N(C9=C8CN(C)CC9)CC%10=CC=CC=C%10)=CC7
Compound: Mebutamate
SMILES: C(C(CC)C)(COC(N)=O)(COC(N)=O)C
Compound: Meclizine hydrochloride
SMILES: Cl.O.C1=C(C=CC(=C1)C(C=2C=CC=CC2)N3CCN(CC3)CC4=CC(=CC=C4)C)Cl.Cl
Compound: Mecysteine hydrochloride
SMILES: Cl.COC([C@H](CS)N)=O
Compound: Medazepam
SMILES: C1(=CC2=C(C=C1)N(CCN=C2C=3C=CC=CC3)C)Cl
Compound: Medermycin
SMILES: C12=C(C(C=3[C@@]4([C@](O[C@@H](C3C1=O)C)(CC(O4)=O)[H])[H])=O)C=CC(=C2O)[C@@]5(O[C@@H]([C@H]([C@@H](C5)N(C)C)O)C)[H]
Compound: Mefruside
SMILES: C(N(S(=O)(=O)C1=CC(S(N)(=O)=O)=C(C=C1)Cl)C)C2(C)CCCO2
Compound: bromocriptine
SMILES: [H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34
Compound: fleroxacin
SMILES: C12=C(N(C=C(C(O)=O)C1=O)CCF)C(=C(N3CCN(CC3)C)C(F)=C2)F
Compound: meglumine amidotrizoate
SMILES: C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I
Compound: Melinamide
SMILES: N(C(CCCCCCC/C=C\C/C=C\CCCCC)=O)C(C=1C=CC=CC1)C
Compound: Melitracen hydrochloride
SMILES: CC1(C)C2=CC=CC=C2C(=CCCN(C)C)C3=C1C=CC=C3.Cl
Compound: Meluadrine tartrate
SMILES: C1=C(C=CC([C@H](CNC(C)(C)C)O)=C1Cl)O.[C@@H]([C@H](C(O)=O)O)(C(O)=O)O
Compound: Mepitiostane
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC5(OC)CCCC5)[H])(CC[C@]1(C[C@]6([C@@](C2)(S6)[H])[H])[H])[H])[H]
Compound: Mepranoprofen arbamel
SMILES: C=1(N=C2C(CC=3C=C(C=CC3O2)C(C)C(OCC(N(C)C)=O)=O)=CC1)C
Compound: bromocriptine methanesulfonate
SMILES: CS(O)(=O)=O.[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34
Compound: Meprylcaine hydrochloride
SMILES: Cl.C=1C(=CC=CC1)C(=O)OCC(NCCC)(C)C
Compound: Mequitazine
SMILES: C(C1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12
Compound: mercaptopurine hydrate
SMILES: O.S=c1[nH]cnc2nc[nH]c12
Compound: mercury dichloride
SMILES: Cl[Hg]Cl
Compound: Mesna
SMILES: [Na+].S(=O)(CCS)(=O)[O-]
Compound: Mestanolone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](CC4)(C)O)[H])(CC[C@]1(CC(CC2)=O)[H])[H])[H]
Compound: Metenolone enanthate
SMILES: C1=C([C@]2(C)[C@]3([H])[C@](CC[C@@]2([H])CC1=O)([H])[C@@]4(CC[C@@H]([C@@]4(C)CC3)OC(=O)CCCCCC)[H])C
Compound: Metharbital
SMILES: C(C)C1(CC)C(=O)N(C)C(NC1=O)=O
Compound: Methenolone acetate
SMILES: C1=C([C@]2([C@](CC1=O)(CC[C@]3([H])[C@]2([H])CC[C@]4([C@]3(CC[C@@H]4OC(=O)C)[H])C)[H])C)C
Compound: brompheniramine
SMILES: CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
Compound: methoxyphenamine hydrochloride
SMILES: Cl.C1=CC=C(C(=C1)CC(NC)C)OC
Compound: Methyl acetyl ricinoleate
SMILES: CCCCCCC(C\C=C/CCCCCCCC(=O)OC)OC(C)=O
Compound: methyl salicylate
SMILES: COC(=O)c1ccccc1O
Compound: Methyl 5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate
SMILES: COC(=O)c1nnc(NCCC=C)o1
Compound: Methylbenactyzium bromide
SMILES: [Br-].CC[N+](CCOC(C(C1=CC=CC=C1)(C=2C=CC=CC2)O)=O)(CC)C
Compound: methylparaben
SMILES: COC(=O)c1ccc(O)cc1
Compound: methylphenidate hydrochloride
SMILES: [Cl-].COC(=O)C(C1CCCC[NH2+]1)c1ccccc1
Compound: Methyprylon
SMILES: C1(CNC(C(C1=O)(CC)CC)=O)(C)[H]
Compound: metiazinic acid
SMILES: CN1c2ccccc2Sc2ccc(CC(O)=O)cc12
Compound: Meticrane
SMILES: CC1=C(C=C2C(=C1)CCCS2(=O)=O)S(=O)(=O)N
Compound: brompheniramine maleate
SMILES: OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
Compound: Metrizamide
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)I)N(C)C(=O)C)I
Compound: mexazolam
SMILES: CC1COC2(N1CC(=O)Nc1ccc(Cl)cc21)c1ccccc1Cl
Compound: mianserin hydrochloride
SMILES: [H+].[Cl-].CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Compound: micronomicin sulfate
SMILES: [C@@H]1(O[C@@H]([C@@H](CC1)N)O[C@H]2[C@H](O)[C@H]([C@@H](C[C@@H]2N)N)O[C@H]3OC[C@]([C@@H]([C@H]3O)NC)(C)O)CNC.S(O)(=O)(=O)O
Compound: Midecamycin
SMILES: O([C@]1([C@H](O)[C@@H](N(C)C)[C@@H]([C@H](O1)C)O[C@]2(C[C@@](C)(O)[C@H]([C@@H](O2)C)OC(CC)=O)[H])[H])[C@@H]3[C@@H](OC)[C@](OC(CC)=O)(CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@@H](C[C@@H]3CC=O)C)O)[H]
Compound: Midecamycin acetate
SMILES: O(C1[C@@H](OC)[C@](OC(CC)=O)(CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@@H](C[C@@H]1CC=O)C)OC(C)=O)[H])[C@]2([C@H](O)[C@@H](N(C)C)[C@@H]([C@H](O2)C)O[C@]3(C[C@](OC(C)=O)(C)[C@H]([C@@H](O3)C)OC(CC)=O)[H])[H]
Compound: midodrine hydrochloride
SMILES: Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN
Compound: Migrenin (TN)
SMILES: C12=C(N(C(=O)N(C)C1=O)C)N=CN2C.N1(C=2C=CC=CC2)C(C=C(N1C)C)=O.C(CC(=O)O)(CC(=O)O)(C(=O)O)O
Compound: Milacainide tartrate
SMILES: N(CCCC1=CN=CC=C1)(C(=O)[C@H](C)N)C2=C(C)C=CC=C2C.OC([C@@H]([C@H](C(O)=O)O)O)=O
Compound: broussin
SMILES: COc1ccc(cc1)[C@@H]1CCc2ccc(O)cc2O1
Compound: militarinone A
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](O)CC1
Compound: Militarinone C
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(O)=C1/C(=O)NC(Cc2ccc(O)cc2)C1=O
Compound: Militarinone D
SMILES: CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(c[nH]c1=O)-c1ccc(O)cc1
Compound: Milnacipran hydrochloride
SMILES: C=1C=CC(=CC1)[C@]2(C[C@@H]2CN)C(=O)N(CC)CC.Cl
Compound: miproxifene phosphate
SMILES: C1=C(C=CC(=C1)\C(\C=2C=CC(=CC2)OCCN(C)C)=C(\C3=CC=C(C=C3)C(C)C)/CC)OP(O)(=O)O
Compound: mithramycin
SMILES: [H][C@]1(Cc2cc3cc(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@H](OC)C(=O)[C@@H](O)[C@@H](C)O
Compound: Mizolastine
SMILES: CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5
Compound: Mizoribine
SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N2C(O)=C(N=C2)C(N)=O
Compound: Broussonin C
SMILES: CC(C)=CCc1cc(CCCc2ccc(O)cc2O)ccc1O
Compound: Mofezolac (TN)
SMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O
Compound: molsidomine
SMILES: CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1
Compound: Monatepil maleate
SMILES: C1(C2=C(CSC3=C1C=CC=C3)C=CC=C2)NC(=O)CCCN4CCN(CC4)C5=CC=C(C=C5)F.C(/C=C\C(O)=O)(O)=O
Compound: Montirelin
SMILES: C=1(NC=NC1)C[C@@H](C(N2[C@@H](CCC2)C(=O)N)=O)NC([C@H]3NC([C@H](SC3)C)=O)=O
Compound: Moperone hydrochloride
SMILES: Cl.C(C(C=1C=CC(=CC1)F)=O)CCN2CCC(C=3C=CC(C)=CC3)(CC2)O
Compound: mosapramine dihydrochloride
SMILES: Cl.Cl.ClC1=CC=C2CCC3=CC=CC=C3N(CCCN3CCC4(CC3)N3CCCCC3NC4=O)C2=C1
Compound: mosapride citrate dihydrate
SMILES: O.O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
Compound: Moxisylyte hydrochloride
SMILES: C1(=C(C=C(OC(C)=O)C(=C1)C)C(C)C)OCCN(C)C.Cl
Compound: Mozavaptane hydrochloride
SMILES: C1(CCCN(C=2C1=CC=CC2)C(C3=CC=C(C=C3)NC(C4=C(C=CC=C4)C)=O)=O)N(C)C.Cl
Compound: browniine
SMILES: [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC
Compound: Mycobactin S
SMILES: CCCCCCCCCCCCCCC\C=C\C(=O)N(O)CCCCC(NC(=O)C1COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O
Compound: Mycolactone
SMILES: C[C@@H](O)C[C@@H](O)[C@H](C)\C=C(/C)C[C@H](C)[C@H]1C\C=C(C)\C[C@H](C)[C@H](CCCC(=O)O1)OC(=O)\C=C\C(C)=C\C(C)=C\C=C\C(C)=C\[C@H](O)[C@@H](O)C[C@H](C)O
Compound: Myxalamid A
SMILES: CCC(C)\C=C(/C)[C@H](O)[C@H](C)\C=C(C)\C=C\C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO
Compound: Myxalamid B
SMILES: CC(C)\C=C(/C)[C@H](O)[C@H](C)\C=C(C)\C=C\C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO
Compound: Myxalamid C
SMILES: CC\C=C(/C)[C@H](O)[C@H](C)\C=C(C)\C=C\C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO
Compound: Myxalamid D
SMILES: C\C=C(/C)[C@H](O)[C@H](C)\C=C(C)\C=C\C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO
Compound: Myxalamid S
SMILES: CC(C)\C=C(/C)[C@H](O)[C@H](C)\C=C(C)\C=C\C(O)C\C=C\C=C(/C)C(=O)N[C@@H](C)CO
Compound: Myxochelin A
SMILES: OCC(CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O
Compound: N,N,N-Trimethylserotonin
SMILES: C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12
Compound: Bruceantin
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Compound: N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid
SMILES: COc1ccc2-c3ccc4cc(OC)c(OC)cc4c3N(C)[C@@H](CC(O)=O)c2c1OC
Compound: N-methyl-D-aspartic acid
SMILES: CN[C@H](CC(O)=O)C(O)=O
Compound: N-oleoyldopamine
SMILES: C=1(C=CC(=CC1O)CCNC(CCCCCCC/C=C\CCCCCCCC)=O)O
Compound: N-methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one
SMILES: COc1ccc2c3ccc4cc(OC)c(OC)cc4c3n(C)c(=O)c2c1OC
Compound: N-acetyl-L-2-aminoadipic acid
SMILES: CC(=O)N[C@@H](CCCC(O)=O)C(O)=O