mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(C)(C)Nc1nc(N)nc(Cl)n1</smiles> is A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine. It has the role of marine xenobiotic metabolite. It is also related to or classified as chloro-1,3,5-triazine, diamino-1,3,5-triazine.
The molecule <smiles>CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I</smiles> is an  organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium. It has the role of xenobiotic. It has the role of radioopaque medium. It has the role of environmental contaminant.    It is also related to or classified as organoiodine compound . It is also related to or classified as acetamides, benzoic acids, dicarboxylic acid monoamide.
The molecule <smiles>CC1=CC(=O)NS(=O)(=O)O1</smiles> is A sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6. It has the role of xenobiotic. It has the role of sweetening agent. It has the role of environmental contaminant. It is also related to or classified as organic heteromonocyclic compound, organonitrogen heterocyclic compound, oxacycle, sulfamate ester.
The molecule <smiles>CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1</smiles> is A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. It has the role of antidepressant. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite.  It is also related to or classified as phenols . It is also related to or classified as cyclohexanols, tertiary amino compound.
The molecule <smiles>CNCC(c1ccc(OC)cc1)C1(O)CCCCC1</smiles> is A monomethoxybenzene that is the N-desmethyl derivative of venlafaxine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as cyclohexanols, monomethoxybenzene, secondary amino compound.
The molecule <smiles>CC1C(C)(C)c2cc3C(C)COC(=O)c3cc2C1(C)C</smiles> is an  organic heterotricyclic compound that is 4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a metabolite of the synthetic musk galaxolide. It has the role of marine xenobiotic metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as organic heterotricyclic compound, isochromenes.
The molecule <smiles>Cc1c(NC=O)c(=O)n(-c2ccccc2)n1C</smiles> is A  pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as formamides, pyrazolone.
The molecule <smiles>CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1</smiles> is A nitrile that is pentanenitrile substituted by a 3,4-dimethoxyphenyl group at position 2, a methylamino group at position 4 and an isopropyl group at position 2. It is a metabolite of the drug verapamil. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as nitrile . It is also related to or classified as secondary amino compound, dimethoxybenzene.
The molecule <smiles>CNCC(c1ccc(O)cc1)C1(O)CCCCC1</smiles> is A secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite.  It is also related to or classified as phenols . It is also related to or classified as cyclohexanols, secondary amino compound.
The molecule <smiles>CCCCCCCCn1sc(Cl)c(Cl)c1=O</smiles> is A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. It has the role of fungicide. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as organochlorine compound . It is also related to or classified as 1,2-thiazoles.
The molecule <smiles>CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O</smiles> is A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops. It has the role of proherbicide. It has the role of agrochemical. It has the role of xenobiotic. It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It has the role of environmental contaminant. Its functional parent is pinoxaden acid.  It is also related to or classified as pivalate ester . It is also related to or classified as pyrazolooxadiazepine.
The molecule <smiles>CN=CNc1ccc(C)cc1C</smiles> is A member of the class of  formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a  2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. It has the role of marine xenobiotic metabolite.  It is also related to or classified as formamidines . It is also related to or classified as benzenes.
The molecule <smiles>NCC(O)COc1ccc(CC(N)=O)cc1</smiles> is A member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as propanolamine . It is also related to or classified as ethanolamines, aromatic ether, primary amino compound.
The molecule <smiles>Clc1ccc(cc1)C(=O)NCCN1CCOCC1</smiles> is A member of the class of  benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. It has the role of antidepressant. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as benzamides, morpholines, monochlorobenzenes.
The molecule <smiles>NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc12</smiles> is A  dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as diol . It is also related to or classified as dibenzoazepine . It is also related to or classified as ureas.
The molecule <smiles>C[C@H]1OC([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(F)c(N)nc1=O</smiles> is A member of the class of cytidines that is a metabolite of the drug capecitabine. It has the role of marine xenobiotic metabolite.  It is also related to or classified as organofluorine compound . It is also related to or classified as acetate ester . It is also related to or classified as cytidines.
The molecule <smiles>CC(C)N(C(=O)C(O)=O)c1ccccc1</smiles> is A monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has the role of marine xenobiotic metabolite. It is also related to or classified as anilide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C</smiles> is an  organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon. It has the role of marine xenobiotic metabolite. It is also related to or classified as organic phosphate, pyrimidines.
The molecule <smiles>CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1</smiles> is A monocarboxylic acid amide that is N,N-dimethyl-2-oxoacetamide substituted by a 2-acetyl-2-methyl-1-phenylhydrazinyl group at position 2. It is a metabolite of the drug aminopyrine. It has the role of drug metabolite. It has the role of marine xenobiotic metabolite. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as carbohydrazide .
The molecule <smiles>COc1cc(O)c2C(=O)c3c(O)c4[C@H](O)[C@@H](O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1</smiles> is Pradimicinone II.  It is also related to or classified as carboxylic acid . It is also related to or classified as p-quinones, tetracenes.
The molecule <smiles>OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A monoalkyl phosphate in which the alkyl group specified is perfluorodecyl. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as monoalkyl phosphate.
The molecule <smiles>NC(=O)N=C1SCCN1Cc1ccc(Cl)nc1</smiles> is A monochloropyridine that is 2-chloropyridine substituted by a [2-(carbamoylimino)-1,3-thiazolidin-3-yl]methyl group at position 5. It is a metabolite of the insecticide thiacloprid. It has the role of marine xenobiotic metabolite.  It is also related to or classified as monochloropyridine . It is also related to or classified as thiazolidines, ureas.
The molecule <smiles>OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A dialkyl phosphate in which the alkyl group specified is perfluorodecyl. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as organofluorine compound . It is also related to or classified as dialkyl phosphate.
The molecule <smiles>C1=C(C(F)(F)F)C=CC=C1N2CCNCC2</smiles> is A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. It has the role of psychotropic drug. It has the role of xenobiotic. It has the role of serotonergic agonist. It has the role of environmental contaminant. It is also related to or classified as N-arylpiperazine, (trifluoromethyl)benzenes.
The molecule <smiles>CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O</smiles> is A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has the role of marine xenobiotic metabolite. It is also related to or classified as sulfoxide . It is also related to or classified as carbamate ester.
The molecule <smiles>Clc1ccc(CN2CCNC2=O)cn1</smiles> is A imidazolidinone that is imidazolidin-2-one substituted by a (6-chloropyridin-3-yl)methyl group at position 1. It is a metabolite of the insecticide imidacloprid. It has the role of marine xenobiotic metabolite. It is also related to or classified as monochloropyridine . It is also related to or classified as ureas, imidazolidinone.
The molecule <smiles>C(N1CCNCC1)c1ccccc1</smiles> is A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a  serotonergic agonist used as a recreational drug. It has the role of psychotropic drug. It has the role of xenobiotic. It has the role of serotonergic agonist. It has the role of environmental contaminant. It is also related to or classified as N-alkylpiperazine.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A cholesteryl glycoside in which cholesterol is linked glycosidically via its 3-hydroxy group to  6-O-myristoyl-alpha-D-glucose. Produced naturally by Helicobacter pylori, a bacteria that colonizes the stomach and which is associated with protection against asthma, it is also chemically synthesized as PI57. It is also related to or classified as cholesteryl glycoside.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC</smiles> is A 1-acyl-2-tetradecanoyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of both phosphate OH groups of 1,2-ditetradecanoyl-sn-glycerol-3-phosphate(; major species at pH 7.3. It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) .
The molecule <smiles>CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1</smiles> is the ethyl ester of 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylic acid. It is also related to or classified as dichlorobenzene . It is also related to or classified as ethyl ester . It is also related to or classified as dicarboximide . It is also related to or classified as oxazolidinone.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino octasaccharide consisting of a D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Man-(1->3)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage. It is also related to or classified as glucosamine oligosaccharide, amino octasaccharide.
The molecule <smiles>COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O</smiles> is A member of the  dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. It has the role of xenobiotic. It has the role of sweetening agent. It has the role of plant metabolite. It has the role of environmental contaminant. It is also related to or classified as neohesperidoside . It is also related to or classified as dihydrochalcones, disaccharide derivative.
The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is A branched amino heptasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Man-(1->3)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage. It is also related to or classified as glucosamine oligosaccharide, amino heptasaccharide.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC</smiles> is A 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as tetradecanoyl (myristoyl). It is a conjugate acid of 1,2-ditetradecanoyl-sn-glycerol-3-phosphate(2-). It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is the pentaanion of 2-carboxytetracosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-) .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 2-monolysocardiolipin(2-) obtained by deprotonation of the phosphate OH groups of trilinoleoyl 2-monolysocardiolipin; major species at pH 7.3. It is also related to or classified as trininoleoyl-monolysocardiolipin(2-) . It is also related to or classified as 2-monolysocardiolipin(2-) .
The molecule <smiles>[Cl-].C[n+]1ccccc1\C=N\O</smiles> is pralidoxime chloride. It has the role of cholinergic drug. It has the role of cholinesterase reactivator. It is also related to or classified as organic chloride salt, pyridinium salt.
The molecule <smiles>CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCC</smiles> is A glycosylceramide in which alpha-D-glucuronic acid is linked glycosidically to a 3-hydroxy-2-{[(2R)-2-hydroxynonadecanoyl]amino}icosyl moiety. Present in the cell walls of Sphingomonas bacteria. It is also related to or classified as glycosylceramide.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is the pentaanion of 2-carboxyhexacosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-) .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A cardiolipin 72:8(2-) obtained by deprotonation of the phosphate OH groups of tetralinoleoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 72:8(2-) .
The molecule <smiles>CCCCOc1ccc(OCCCN2CCOCC2)cc1</smiles> is A member of the class of morpholines that is morpholine substituted at the nitrogen atom by a 3-(4-butoxyphenoxy)propyl group. It has the role of local anaesthetic. It is also related to or classified as aromatic ether, morpholines.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 72:7(2-) .
The molecule <smiles>CCCOc1nc2ccc(I)cc2c(=O)n1CCC</smiles> is A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has the role of antifungal agrochemical.  It is also related to or classified as organoiodine compound . It is also related to or classified as aromatic ether, quinazolines.
The molecule <smiles>CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1</smiles> is A carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate. It is also related to or classified as amino acid amide, carbamate ester, valine derivative.
The molecule <smiles>[H+].Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1</smiles> is an organic cation obtained by protonation of the imidazole group of (R)-eberconazole. It is a conjugate acid of (R)-eberconazole. It is also related to or classified as organic cation.
The molecule <smiles>OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles> is A dialkyl phosphate in which the alkyl group specified is perfluorooctyl. It has the role of xenobiotic. It has the role of environmental contaminant.  It is also related to or classified as organofluorine compound . It is also related to or classified as dialkyl phosphate.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A cardiolipin 70:6(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin; major species at pH 7.3. It is also related to or classified as cardiolipin 70:6(2-) .
The molecule <smiles>Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1</smiles> is A pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5. Its functional parent is CTP. It is also related to or classified as pyrimidine 2'-deoxyribonucleoside 5'-triphosphate.
The molecule <smiles>O[N+]([O-])=O.Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1</smiles> is an organic nitrate salt obtained by reaction of equimolar amounts of (S)-eberconazole and nitric acid. It is also related to or classified as organic nitrate salt.
The molecule <smiles>O[N+]([O-])=O.Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> is an organic nitrate salt obtained by reaction of equimolar amounts of (S)-fenticonazole and nitric acid. It is also related to or classified as organic nitrate salt.
The molecule <smiles>Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> is A member of the class of imidazoles that carries a 2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl group at position 1. It is also related to or classified as dichlorobenzene .  It is also related to or classified as ether . It is also related to or classified as imidazoles, aryl sulfide.
The molecule <smiles>Clc1cc(Cl)c2C(c3ccccc3CCc2c1)n1ccnc1</smiles> is A member of the class of dibenzannulenes that is 10,11-dihydrodibenzo[a,d][7]annulene carrying two chloro substituents at positions 2 and 4 as well as an imidazol-1-yl substituent at position 5.  It is also related to or classified as dibenzannulene . It is also related to or classified as organochlorine compound . It is also related to or classified as imidazoles.
The molecule <smiles>CCOC(=O)C1=C(C)NC(C)=C(C1C)C(=O)OCC</smiles> is A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5. It has the role of hepatic steatosis inducing agent. It is also related to or classified as ethyl ester . It is also related to or classified as dihydropyridine .
The molecule <smiles>[H+].Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1</smiles> is an organic cation obtained by protonation of the imidazole group of (S)-eberconazole. It is a conjugate acid of (S)-eberconazole. It is also related to or classified as organic cation.
The molecule <smiles>COC(=O)CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1</smiles> is A carboxamide resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)valine with the amino group of methyl 3-amino-3-(4-chlorophenyl)propanoate.  It is also related to or classified as methyl ester .  It is also related to or classified as carboxamide . It is also related to or classified as carbamate ester, valine derivative, monochlorobenzenes.
The molecule <smiles>[Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC</smiles> is an organic sodium salt that is the sodium salt of pravastatin. A reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA), it is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. It has the role of anticholesteremic drug. It is also related to or classified as organic sodium salt, statin (semi-synthetic).