mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCOC(=O)NCCCN(C)C</smiles> is A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly  Phytophthora and Pythium species. It has the role of xenobiotic. It has the role of environmental contaminant. It has the role of antifungal agrochemical. Its functional parent is propan-1-ol. It is also related to or classified as tertiary amino compound, carbamate fungicide, carbamate ester.
The molecule <smiles>ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O</smiles> is A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. It has the role of antifungal agrochemical. Its functional parent is phthalimide.  It is also related to or classified as organochlorine compound . It is also related to or classified as organosulfur compound, phthalimide fungicide.
The molecule <smiles>CC(C)OC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC(C)C</smiles> is Nitrothal-isopropyl.  It is also related to or classified as isopropyl ester . It is also related to or classified as diester . It is also related to or classified as nitrobenzoic acid.
The molecule <smiles>CN(C)C(=O)Nc1ccc(C)c(Cl)c1</smiles> is A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms. It has the role of herbicide. It has the role of agrochemical. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as phenylureas, monochlorobenzenes.
The molecule <smiles>CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1</smiles> is the stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1S)-1-(p-tolyl)ethylamine. It is also related to or classified as isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate .
The molecule <smiles>CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccc(C)cc1</smiles> is the stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1R)-1-(p-tolyl)ethylamine. It is also related to or classified as isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate .
The molecule <smiles>C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C</smiles> is A quinoxaline derivative used as systemic herbicide for annual and perennial grasses. It has the role of agrochemical. It has the role of xenobiotic. It has the role of phenoxy herbicide. It has the role of environmental contaminant. It is also related to or classified as carboxylic ester .  It is also related to or classified as organochlorine compound . It is also related to or classified as oxime O-ether . It is also related to or classified as aromatic ether, quinoxaline derivative.
The molecule <smiles>Cc1cnc2c(C(O)=O)c(Cl)ccc2c1</smiles> is A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. It has the role of herbicide. It has the role of synthetic auxin. 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 quinolinemonocarboxylic acid.
The molecule <smiles>CC(C)OC(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccc(C)cc1</smiles> is A diastereoisomeric mixture comprising equimolar amounts of L-(R)- and L-(S)-iprovalicarb. It is a systemic fungicide, specific to oomycetes, used on potatoes and grape vines. It has the role of xenobiotic. It has the role of environmental contaminant. It has the role of antifungal agrochemical. It is also related to or classified as diastereoisomeric mixture, valinamide fungicide, carbamate fungicide.
The molecule <smiles>Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1</smiles> is A member of the class of quinolines carrying two chloro substituents at positions 5 and 7 together with a 4-fluorophenoxy substituent at position 4. A fungicide used mainly to control powdery mildew in cereals. It has the role of antifungal agrochemical.   It is also related to or classified as organochlorine compound . It is also related to or classified as monofluorobenzenes . It is also related to or classified as quinolines, aromatic ether.
The molecule <smiles>CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O</smiles> is Oxyfluorfen. It has the role of herbicide. It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is also related to or classified as aromatic ether.
The molecule <smiles>C1=CC=C(C(=C1C(OC)=O)S(NC(NC2=NC(=NC(=N2)N(C)C)OCC(F)(F)F)=O)(=O)=O)C</smiles> is A methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron. It has the role of proherbicide. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor. It has the role of agrochemical. Its functional parent is triflusulfuron. It is also related to or classified as methyl ester .    It is also related to or classified as organofluorine compound .  It is also related to or classified as N-sulfonylurea . It is also related to or classified as 1,3,5-triazines, aromatic ether, benzoate ester, tertiary amino compound.
The molecule <smiles>O[C@@](Cc1ccccc1Cl)(Cn1nc[nH]c1=S)C1(Cl)CC1</smiles> is A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (S)-enantiomer of prothioconazole. It is also related to or classified as 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione .
The molecule <smiles>C1(=NC(C)=NC(OC)=N1)N(C(=O)NS(C=2C(C(O)=O)=CC=CC2)(=O)=O)C</smiles> is an N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant. It has the role of herbicide.   It is also related to or classified as N-sulfonylurea . It is also related to or classified as benzoic acids, methoxy-1,3,5-triazine.
The molecule <smiles>CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl</smiles> is A 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide that is the (S)-enantiomer of zoxamide. It is also related to or classified as 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide .
The molecule <smiles>CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C</smiles> is A monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide. It has the role of herbicide. It has the role of agrochemical. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as monocarboxylic acid amide .
The molecule <smiles>O[C@](Cc1ccccc1Cl)(Cn1nc[nH]c1=S)C1(Cl)CC1</smiles> is A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (R)-enantiomer of prothioconazole. It is also related to or classified as 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione .
The molecule <smiles>[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl</smiles> is A C-nitro compound that is nitrobenzene in which the four hydrogens located ortho- and para- to the nitro group have been replaced by chlorines. A fungicide used to control dry rot, it is no longer approved for use within the European Union. It has the role of antifungal agrochemical. Its functional parent is 1,2,4,5-tetrachlorobenzene. It is also related to or classified as tetrachlorobenzene . It is also related to or classified as C-nitro compound, aromatic fungicide.
The molecule <smiles>CON(C1CCCCC1)C(=O)c1cc(C)oc1C</smiles> is Furmecyclox. It is also related to or classified as hydroxamic acid ester . It is also related to or classified as furamide fungicide.
The molecule <smiles>CC1=C(CCCO1)C(=O)Nc1ccccc1</smiles> is Pyracarbolid. It is also related to or classified as anilide . It is also related to or classified as anilide fungicide.
The molecule <smiles>FC(F)(F)CO[C@H]1CC[C@@](Cn2cncn2)(O1)c1ccc(Cl)cc1Cl</smiles> is Furconazole-cis. It is also related to or classified as dichlorobenzene . It is also related to or classified as conazole fungicide, triazole fungicide.
The molecule <smiles>Ic1ccccc1C(=O)Nc1ccccc1</smiles> is A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of aniline. An obsolete fungicide once used mainly to control rust diseases. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It has the role of antifungal agrochemical. It is also related to or classified as anilide .  It is also related to or classified as organoiodine compound . It is also related to or classified as benzamides, benzanilide fungicide.
The molecule <smiles>Cc1nc(C)c(s1)C(=O)Nc1ccccc1</smiles> is Metsulfovax. It is also related to or classified as anilide . It is also related to or classified as anilide fungicide.
The molecule <smiles>Clc1ccccc1Nc1nc(Cl)nc(Cl)n1</smiles> is A member of the class of triazenes that is dichlorotriazene in which the hydrogen is replaced by an o-chloroanilino group. A fungicide formerly used to control leaf spots and downy mildew, it is no longer approved for use within the European Union. It has the role of antifungal agrochemical. It is also related to or classified as triazines, organochlorine pesticide, secondary amino compound, monochlorobenzenes.
The molecule <smiles>CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl</smiles> is A 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide that is the (R)-enantiomer of zoxamide. It is also related to or classified as 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide .
The molecule <smiles>C1(=C(C=C(C(=C1)OC(NC)=O)Cl)C)C</smiles> is A carbamate ester that is phenyl methylcarbamate which is substituted by a chloro group at position 2 and by methyl groups at positions 4 and 5, respectively. It is an insecticide used in the the control of poultry ectoparasites. It has the role of acaricide. It has the role of carbamate insecticide. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is also related to or classified as carbamate ester, monochlorobenzenes.
The molecule <smiles>CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC</smiles> is A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. It has the role of antifungal drug. Its functional parent is 1,2-phenylenediamine. It is also related to or classified as thioureas, benzimidazole precursor fungicide, carbamate fungicide, carbamate ester.
The molecule <smiles>CCOP(=S)(Oc1ccc(cc1)C#N)c1ccccc1</smiles> is Cyanofenphos. It is also related to or classified as nitrile . It is also related to or classified as benzenes.
The molecule <smiles>CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N</smiles> is Cyanthoate. It is also related to or classified as secondary carboxamide . It is also related to or classified as nitrile . It is also related to or classified as organic thiophosphate.
The molecule <smiles>Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1</smiles> is A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. It has the role of H1-receptor antagonist. It has the role of serotonergic antagonist. It has the role of dopaminergic antagonist. It has the role of first generation antipsychotic. It has the role of antidyskinesia agent.  It is also related to or classified as organofluorine compound . It is also related to or classified as benzimidazoles, heteroarylpiperidine.
The molecule <smiles>COP(=O)(OC)O\C(C)=C\C(=O)OC(C)c1ccccc1</smiles> is Crotoxyphos. Its functional parent is benzyl alcohol. It is also related to or classified as carboxylic ester .
The molecule <smiles>C1=CC=CC(=C1)NC(OC(C)C)=O</smiles> is A carbamate ester that is the isopropyl ester of phenylcarbamic acid. It is a selective herbicide used for the control of annual grasses and some broad-leaf weeds and is also a growth regulator for control of sprouting in stored potatoes. It has the role of herbicide. It has the role of plant growth retardant. It is also related to or classified as benzenes, carbamate ester.
The molecule <smiles>Clc1c(Cl)c(Cl)c2nccnc2c1Cl</smiles> is chlorquinox. It has the role of antifungal agrochemical. It is also related to or classified as organochlorine compound . It is also related to or classified as quinoxaline antifungal agent.
The molecule <smiles>CCSC(=O)NCCCN(C)C</smiles> is A monothiocarbamic ester that is ethanethiol in which the hydrogen attached to the sulfur is replaced by a [3-(dimethylamino)propyl]carbamoyl group. Formerly used (generally as the hydrochloride salt) as an agricultural fungicide, it is not approved for use within the European Union. It has the role of antifungal agrochemical. It is also related to or classified as monothiocarbamic ester, tertiary amino compound.
The molecule <smiles>Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)cc1Cl</smiles> is Chloraniformethan. It is also related to or classified as dichlorobenzene . It is also related to or classified as amide fungicide.
The molecule <smiles>CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC</smiles> is Butonate. It is also related to or classified as butyrate ester . It is also related to or classified as fatty acid ester .
The molecule <smiles>CC[C@H](C)c1cc(cc(c1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O</smiles> is A 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate that is the (S)-enantiomer of binapacryl. It is also related to or classified as 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate .
The molecule <smiles>CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C</smiles> is Malonoben. It has the role of geroprotector. It is also related to or classified as alkylbenzene .
The molecule <smiles>Clc1ccc(S\N=N\c2cc(Cl)c(Cl)cc2Cl)cc1</smiles> is Chlorfensulphide. It is also related to or classified as trichlorobenzene . It is also related to or classified as monochlorobenzenes.
The molecule <smiles>OS(=O)(=O)OCCOc1ccc(Cl)cc1Cl</smiles> is Disul. It has the role of phenoxy herbicide. It is also related to or classified as aromatic ether.
The molecule <smiles>CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(O)=O)=N1</smiles> is an N-sulfonylurea that is urea substituted by 4,6-dimethylpyrimidin-2-yl and (2-carboxyphenyl)sulfonyl groups at positions 1 and 3, respectively. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor. It has the role of herbicide.    It is also related to or classified as N-sulfonylurea . It is also related to or classified as benzoic acids, monocarboxylic acid, pyrimidines.
The molecule <smiles>CC[C@@H](C)c1cc(cc(c1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O</smiles> is A 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate that is the (R)-enantiomer of binapacryl. It is also related to or classified as 2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate .
The molecule <smiles>CC(=O)Oc1c(cc(c(C)c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O</smiles> is Medinoterb acetate. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C1CCCCC1</smiles> is Dinex.  It is also related to or classified as alkylbenzene . It is also related to or classified as ring assembly.
The molecule <smiles>CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1</smiles> is A member of the class of phenylureas that is N,N-dimethylurea in which a hydrogen of the amino group is replaced by a 4-(4-chlorophenoxy)phenyl group. It is a phenylurea herbicide used for the control of annual grasses, mosses and broad-leaved weeds. Common crop plants for which the herbicicide is useful are soy beans, onions, strawberries, and celery. It has the role of herbicide. It is also related to or classified as phenylureas, aromatic ether, monochlorobenzenes.
The molecule <smiles>CC(Oc1cccc(Oc2ccc(Cl)cc2)c1)C(O)=O</smiles> is Clofop. It has the role of phenoxy herbicide. It is also related to or classified as aromatic ether.
The molecule <smiles>Oc1c(Br)cc(\C=N\Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1Br</smiles> is Bromofenoxim. It has the role of phenoxy herbicide. It is also related to or classified as C-nitro compound.
The molecule <smiles>CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1</smiles> is Isoxapyrifop. It has the role of phenoxy herbicide. It is also related to or classified as aromatic ether.
The molecule <smiles>CC(Cl)(Cl)C(=O)OCCOc1cc(Cl)c(Cl)cc1Cl</smiles> is Erbon. It has the role of phenoxy herbicide. It is also related to or classified as aromatic ether.
The molecule <smiles>CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC</smiles> is Ethidimuron. It is also related to or classified as organonitrogen heterocyclic compound, organosulfur heterocyclic compound.
The molecule <smiles>CCC(C)c1cc(cc(c1OC(C)=O)[N+]([O-])=O)[N+]([O-])=O</smiles> is Dinoseb acetate. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>C1=C(C(=C(C(=C1Cl)OC)C(O)=O)Cl)Cl</smiles> is A methoxybenzoic acid that is 2-methoxybenzoic acid which is substituted at position 3, 5, and 6 by chlorines. It has the role of herbicide. It has the role of synthetic auxin. It has the role of agrochemical.  It is also related to or classified as trichlorobenzene . It is also related to or classified as methoxybenzoic acid.
The molecule <smiles>CNC(=O)N(C)c1nnc(s1)C(F)(F)F</smiles> is Thiazafluron. It is also related to or classified as organonitrogen heterocyclic compound, organosulfur heterocyclic compound.
The molecule <smiles>CC(Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1)C(O)=O</smiles> is Fenthiaprop. It has the role of phenoxy herbicide. It is also related to or classified as aromatic ether.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is  pinocembrin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is pinocembrin. It is also related to or classified as (2S)-flavan-4-one . It is also related to or classified as neohesperidoside . It is also related to or classified as monohydroxyflavanone, flavanone glycoside, disaccharide derivative.
The molecule <smiles>ClC(Cl)(Cl)C(=O)OCCOC(=O)C(Cl)(Cl)Cl</smiles> is TCA-ethadyl. Its functional parent is ethylene glycol. Its functional parent is trichloroacetic acid. It is also related to or classified as diester .
The molecule <smiles>C1(=C(C(=C(C(=N1)F)Cl)O)Cl)F</smiles> is A hydroxyyridine that is 4-hydroxypyridine which is substituted by fluorines at positions 2 and 6, and by chlorines at positions 3 and 5. An obsolete herbicide, formerly used to control selective broad-leaved and grass weeds in crops such as potatoes. It has the role of EC 2.5.1.117 (homogentisate solanesyltransferase) inhibitor. It has the role of herbicide. It has the role of agrochemical.  It is also related to or classified as organochlorine compound . It is also related to or classified as organofluorine compound . It is also related to or classified as hydroxypyridine.
The molecule <smiles>CC(C)n1c(=O)[nH]c(C)c(Br)c1=O</smiles> is Isocil. It is also related to or classified as organohalogen compound . It is also related to or classified as pyrimidines.
The molecule <smiles>Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O</smiles> is A pentahydroxyflavone that is  quercetin substituted by a methyl group at position 6. It has the role of metabolite. It has the role of plant metabolite. Its functional parent is quercetin.  It is also related to or classified as 7-hydroxyflavonol . It is also related to or classified as pentahydroxyflavone.
The molecule <smiles>CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1</smiles> is A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity. It has the role of ferroptosis inhibitor. It has the role of geroprotector. It has the role of antidepressant. It has the role of hypoglycemic agent. It has the role of xenobiotic. It has the role of insulin-sensitizing drug. It has the role of PPARgamma agonist. It has the role of EC 2.7.1.33 (pantothenate kinase) inhibitor. It has the role of cardioprotective agent. It has the role of EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor. It is also related to or classified as pyridines, aromatic ether, thiazolidinediones.
The molecule <smiles>OC(=O)CC1(O)CC(=O)NNC1=O</smiles> is Pydanon. It is also related to or classified as organic heteromonocyclic compound, organonitrogen heterocyclic compound.
The molecule <smiles>ClCOCCl</smiles> is an ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine. It has the role of alkylating agent. It has the role of carcinogenic agent. It is also related to or classified as ether . It is also related to or classified as organochlorine compound .
The molecule <smiles>CCNc1nc(NC(C)C)nc(OC)n1</smiles> is A diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide. It has the role of herbicide. It has the role of agrochemical. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as diamino-1,3,5-triazine, methoxy-1,3,5-triazine.
The molecule <smiles>CN(C)C(Cl)=O</smiles> is Dimethylcarbamoyl chloride. Its functional parent is carbamic acid. It is also related to or classified as halide.
The molecule <smiles>C1=CC=CC(=C1N)OC</smiles> is A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes. It has the role of reagent. It has the role of genotoxin. It is also related to or classified as monomethoxybenzene, substituted aniline, primary amino compound.
The molecule <smiles>C1=CC=CC(=C1)C(Cl)(Cl)Cl</smiles> is an organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry. It has the role of carcinogenic agent.   It is also related to or classified as organochlorine compound . It is also related to or classified as volatile organic compound, benzenes.
The molecule <smiles>CN(C)c1cc(C)nc(Cl)n1</smiles> is Crimidine. It is also related to or classified as organohalogen compound . It is also related to or classified as pyrimidines.
The molecule <smiles>[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)\N=N\c1ccc(cc1C)-c1ccc(\N=N/c2c(O)ccc3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is CI Acid red 114. It is also related to or classified as organic molecular entity.