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groups.txt
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groups.txt
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cid; iupac; groups (semicolon delimited);
mobley_1017962; methyl hexanoate ; carboxylic acid ester
mobley_1019269; butan-1-ol ; primary alcohol
mobley_1034539; 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene ; aryl chloride; aromatic
mobley_1036761; cyclohexanamine ; primary amine; primary aliphatic amine (alkylamine)
mobley_1046331; phenyl formate ; carboxylic acid ester; aromatic
mobley_1075836; methyl propanoate ; carboxylic acid ester
mobley_1079207; 1,3-dichlorobenzene ; aryl chloride; aromatic
mobley_1107178; iodoethane ; alkyl iodide
mobley_1139153; 2,2,4-trimethylpentane ;
mobley_1144156; ethoxyethane ; dialkyl ether
mobley_1160109; (2R,5R)-2-methyl-5-(1-methylethenyl)-cyclohexanone ; ketone; alkene
mobley_1178614; 2-chlorophenol ; phenol or hydroxyhetarene; aryl chloride; aromatic
mobley_1189457; methylsulfanylbenzene ; thioether; aromatic
mobley_1199854; 1-iodopropane ; alkyl iodide
mobley_1231151; 2-chloropropane ; alkyl chloride
mobley_1235151; 1-nitropentane ; nitro
mobley_1244778; cycloheptanol ; secondary alcohol
mobley_1261349; neopentane ;
mobley_1278715; hexachloroethane ; halogen derivative
mobley_129464; 1-butoxybutane ; dialkyl ether
mobley_1323538; triethylphosphate ; phosphoric acid ester
mobley_1328465; 1,1,2-trichloroethane ; alkyl chloride
mobley_1328936; methyl 4-nitrobenzoate ; carboxylic acid ester; nitro; aromatic
mobley_1352110; pebulate ; thiocarbamic acid ester
mobley_1363784; 3,5-dimethylpyridine ; aromatic; heterocyclic
mobley_1396156; pentachloronitrobenzene ; aryl chloride; nitro; aromatic
mobley_1417007; captan ; halogen derivative; carboxylic acid imide, N-substituted; alkene; heterocyclic
mobley_1424265; m-xylene ; aromatic
mobley_1449384; 1-isopropyl-4-methyl-benzene ; aromatic
mobley_1469079; 2,3-dichlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_1502181; nonan-2-one ; ketone
mobley_1520842; 4-methylpyridine ; aromatic; heterocyclic
mobley_1527293; flurbiprofen ; aryl fluoride; carboxylic acid; aromatic
mobley_1563176; butane-1-thiol ; thiol (sulfanyl); alkylthiol
mobley_1571523; 2,3-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_1592519; ethyl hexanoate ; carboxylic acid ester
mobley_1615431; 2-isopropoxypropane ; dialkyl ether
mobley_1636752; methanol ; primary alcohol
mobley_1650157; 2-methylpropan-2-ol ; tertiary alcohol
mobley_1659169; morpholine ; dialkyl ether; secondary amine; secondary aliphatic amine (dialkylamine); heterocyclic
mobley_1662128; but-1-ene ; alkene
mobley_1674094; hex-1-yne ; alkyne
mobley_1708457; methylsulfonylmethane ; sulfone
mobley_1717215; methyl formate ; carboxylic acid ester
mobley_1722522; ethyl butanoate ; carboxylic acid ester
mobley_1723043; octafluorocyclobutane ; alkyl fluoride
mobley_1728386; benzamide ; primary carboxylic acid amide; aromatic
mobley_172879; dibenzo-p-dioxin ; diaryl ether; aromatic; heterocyclic
mobley_1733799; 4-bromophenol ; phenol or hydroxyhetarene; aryl bromide; aromatic
mobley_1735893; hexanoic acid ; carboxylic acid
mobley_1743409; diethyl butanedioate ; carboxylic acid ester
mobley_1755375; 2,6-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_1760914; 1-chloro-2-methyl-benzene ; aryl chloride; aromatic
mobley_1770205; 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one ; oxo(het)arene; thiophosphoric acid ester; aromatic; heterocyclic
mobley_1781152; methyl 2,2-dimethylpropanoate ; carboxylic acid ester
mobley_1792062; 1,2-dibromoethane ; alkyl bromide
mobley_1800170; ethanethiol ; thiol (sulfanyl); alkylthiol
mobley_1803862; isopentane ;
mobley_1821184; 3-methyl-1H-indole ; aromatic; heterocyclic
mobley_1827204; hexanal ; aldehyde
mobley_1838110; 1,1,2-trichloro-1,2,2-trifluoro-ethane ; halogen derivative
mobley_1849020; 4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane ; aryl chloride; thiophosphoric acid ester; aromatic
mobley_1855337; 1,2,3,5-tetrachlorobenzene ; aryl chloride; aromatic
mobley_1857976; 1,2-dichloroethane ; alkyl chloride
mobley_1858644; 2-phenylethanol ; primary alcohol; aromatic
mobley_186894; propanethiol ; thiol (sulfanyl); alkylthiol
mobley_1873346; toluene ; aromatic
mobley_1875719; pentan-3-one ; ketone
mobley_1881249; pentan-2-one ; ketone
mobley_1893815; 1,1,1,2-tetrachloroethane ; alkyl chloride
mobley_1893937; 1-chlorohexane ; alkyl chloride
mobley_1896013; (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol ; hemiacetal; secondary alcohol; 1,2-diol; heterocyclic
mobley_1899443; 2-methylpent-1-ene ; alkene
mobley_1903702; butan-2-ol ; secondary alcohol
mobley_1905088; benzyl bromide ; alkyl bromide; aromatic
mobley_1922649; methylparathion ; nitro; thiophosphoric acid ester; aromatic
mobley_1923244; n-butane ;
mobley_1929982; hydrogen sulfide ;
mobley_194273; bromacil ; aryl bromide; oxo(het)arene; aromatic; heterocyclic
mobley_1944394; [2-benzhydryloxyethyl]-dimethyl-amine ; dialkyl ether; tertiary amine; tertiary aliphatic amine (trialkylamine); aromatic
mobley_1952272; nitromethane ; nitro
mobley_1963873; N-methylacetamide ; secondary carboxylic acid amide
mobley_1967551; acetaldehyde ; aldehyde
mobley_197466; 1-cyclopropylethanone ; ketone
mobley_1976156; nonanal ; aldehyde
mobley_1977493; 1-chloropropane ; alkyl chloride
mobley_1987439; mesitylene ; aromatic
mobley_2005792; biphenyl ; aromatic
mobley_2008055; ethane ;
mobley_2023925; 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-ethane ; alkyl chloride; orthocarboxylic acid derivative
mobley_2043882; 1-cyclohexylethanone ; ketone
mobley_2049967; methylsulfanylethane ; thioether
mobley_20524; phenol ; phenol or hydroxyhetarene; aromatic
mobley_2068538; propane ;
mobley_2078467; ibuprofen ; carboxylic acid; aromatic
mobley_2099370; ketoprofen ; ketone; carboxylic acid; aromatic
mobley_210639; 2-iodopropane ; alkyl iodide
mobley_2123854; 4-hydroxybenzonitrile ; phenol or hydroxyhetarene; carbonitrile; aromatic
mobley_2126135; 2-ethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_2143011; 3-methylbut-1-ene ; alkene
mobley_2146331; formaldehyde ; aldehyde
mobley_2178600; 1-chloro-pentane ; alkyl chloride
mobley_2183616; sec-butylbenzene ; aromatic
mobley_2197088; decane ;
mobley_2198613; chloroethane ; alkyl chloride
mobley_2213823; 3-methylpentane ;
mobley_2245668; 2-methylpropan-1-ol ; primary alcohol
mobley_2261979; acenaphthene ; aromatic
mobley_2269032; naproxen ; alkyl aryl ether; carboxylic acid; aromatic
mobley_2279874; trimethoxymethane ; orthocarboxylic acid derivative; orthoester
mobley_2294995; ethyl formate ; carboxylic acid ester
mobley_2295058; methyl paraben ; phenol or hydroxyhetarene; carboxylic acid ester; aromatic
mobley_2310185; ethanol ; primary alcohol
mobley_2316618; 1-(2-hydroxyethylamino)-9,10-anthraquinone ; ketone; primary alcohol; 1,2-aminoalcohol; secondary amine; secondary aliphatic/aromatic amine (alkylarylamine); aromatic
mobley_2328633; pentylcyclopentane ;
mobley_2341732; methyl pentanoate ; carboxylic acid ester
mobley_2354112; 3-ethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_2364370; butyl acetate ; carboxylic acid ester
mobley_2371092; 3,4-dimethylpyridine ; aromatic; heterocyclic
mobley_2390199; heptan-4-one ; ketone
mobley_2402487; diethyl propanedioate ; carboxylic acid ester
mobley_2410897; ethanamine ; primary amine; primary aliphatic amine (alkylamine)
mobley_2422586; 1-methoxypropane ; dialkyl ether
mobley_242480; 1,4-diamino-9,10-anthracenedione ; ketone; primary amine; primary aromatic amine; aromatic
mobley_2451097; benzonitrile ; carbonitrile; aromatic
mobley_2457863; 3-methoxyphenol ; phenol or hydroxyhetarene; alkyl aryl ether; aromatic
mobley_2481002; trichloro(nitro)methane ; halogen derivative
mobley_2484519; benzyl chloride ; alkyl chloride; aromatic
mobley_2487143; hexan-2-one ; ketone
mobley_2489709; 1,2-dichlorobenzene ; aryl chloride; aromatic
mobley_2492140; 1,1,1,2,2-pentachloroethane ; alkyl chloride
mobley_2493732; 1,1-dichloroethylene ; ketene acetal or derivative; halogen derivative
mobley_2501588; profluralin ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); halogen derivative; nitro; aromatic
mobley_2517158; 1-bromoheptane ; alkyl bromide
mobley_2518989; dialifor ; alkyl chloride; carboxylic acid imide, N-substituted; thiophosphoric acid ester; aromatic; heterocyclic
mobley_2523689; 5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one ; primary amine; primary aromatic amine; aryl chloride; oxo(het)arene; aromatic; heterocyclic
mobley_252413; 2,2-dimethylpentane ;
mobley_2577969; pyrene ; aromatic
mobley_2607611; hexyl acetate ; carboxylic acid ester
mobley_2609604; 3,3-dimethylpentane ;
mobley_2613240; 1,2-dimethoxybenzene ; alkyl aryl ether; aromatic
mobley_2636578; 3-nitrooxypropyl nitrate ; anion
mobley_2659552; N,N-4-trimethylbenzamide ; tertiary carboxylic acid amide; aromatic
mobley_2661134; 3-hydroxybenzonitrile ; phenol or hydroxyhetarene; carbonitrile; aromatic
mobley_2681549; 1,3,5-trichlorobenzene ; aryl chloride; aromatic
mobley_2689721; cyclohexane ;
mobley_2693089; 2-isobutylpyrazine ; aromatic; heterocyclic
mobley_2725215; nitralin ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); nitro; sulfone; aromatic
mobley_2725802; 1-pyrrolidin-1-ylethanone ; tertiary carboxylic acid amide; heterocyclic
mobley_2727678; 5-iodouracil ; aryl iodide; oxo(het)arene; aromatic; heterocyclic
mobley_2751110; 4-nitrophenol ; phenol or hydroxyhetarene; nitro; aromatic
mobley_2763835; ethoxybenzene ; alkyl aryl ether; aromatic
mobley_2771569; 1-methylpiperazine ; secondary amine; secondary aliphatic amine (dialkylamine); tertiary amine; tertiary aliphatic amine (trialkylamine); heterocyclic
mobley_2782339; phthalimide ; carboxylic acid imide, N-unsubstituted; aromatic; heterocyclic
mobley_2784376; cyclopropane ;
mobley_2789243; 3-chloropyridine ; aryl chloride; aromatic; heterocyclic
mobley_2792521; (2E)-hex-2-enal ; aldehyde; alkene
mobley_2802855; 1-bromobutane ; alkyl bromide
mobley_282648; naphthalene ; aromatic
mobley_2837389; pyrrole ; aromatic; heterocyclic
mobley_2844990; 1,2,3,7-tetrachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_2845466; 2,3,7,8-tetrachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_2850833; 2-hydroxybenzaldehyde ; aldehyde; phenol or hydroxyhetarene; aromatic
mobley_2859600; styrene ; alkene; aromatic
mobley_2864987; pentan-2-ol ; secondary alcohol
mobley_2881590; isobutyl nitrate ; nitrate
mobley_2913224; acetylsalicylic acid ; carboxylic acid; carboxylic acid ester; aromatic
mobley_2923700; 4-ethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_2925352; p-cresol ; phenol or hydroxyhetarene; aromatic
mobley_2929847; 3-methylbutanoic acid ; carboxylic acid
mobley_2958326; N-propylpropan-1-amine ; secondary amine; secondary aliphatic amine (dialkylamine)
mobley_2960202; 1,2,3,4,7,8-hexachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_296847; pyridine ; aromatic; heterocyclic
mobley_2972345; 9,10-dihydroanthracene ; aromatic
mobley_2972906; thiophene ; aromatic; heterocyclic
mobley_299266; 2-methylprop-1-ene ; alkene
mobley_2996632; chloroform ; halogen derivative
mobley_3006808; 2,2,2-trifluoroethanol ; primary alcohol; halogen derivative
mobley_303222; prop-1-ene ; alkene
mobley_3034976; acetic acid ; carboxylic acid
mobley_3040612; 1-ethyl-2-methylbenzene ; aromatic
mobley_3047364; 2-N-ethyl-6-(methylsulfanyl)-4-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine ; thioether; secondary amine; secondary aliphatic/aromatic amine (alkylarylamine); aromatic; heterocyclic
mobley_3053621; benzene ; aromatic
mobley_3060426; 2,2,5-trimethylhexane ;
mobley_3083321; dimethoxymethane ; acetal
mobley_3105103; terbacil ; aryl chloride; oxo(het)arene; aromatic; heterocyclic
mobley_313406; propan-1-ol ; primary alcohol
mobley_3144334; 2,5-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_3151666; decan-1-ol ; primary alcohol
mobley_3167746; octane ;
mobley_3169935; 2-chloroaniline ; primary amine; primary aromatic amine; aryl chloride; aromatic
mobley_3183805; 1,2,4-trimethylbenzene ; aromatic
mobley_3187514; 2-methylaniline ; primary amine; primary aromatic amine; aromatic
mobley_3201701; pirimor ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); carbamic acid ester (urethane); aromatic; heterocyclic
mobley_3210206; 1,2-dinitroxypropane ; nitrate
mobley_3211679; cyclohexene ; alkene
mobley_3234716; p-xylene ; aromatic
mobley_3259411; glycerol ; primary alcohol; secondary alcohol; 1,2-diol
mobley_3264884; naphthalen-2-amine ; primary amine; primary aromatic amine; aromatic
mobley_3265457; 2-chlorosyringaldehyde ; aldehyde; phenol or hydroxyhetarene; alkyl aryl ether; aryl chloride; aromatic
mobley_3266352; N-methyl-N-(2,2,2-trifluoroethyl)aniline ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); halogen derivative; aromatic
mobley_3269565; 2-methoxypropane ; dialkyl ether
mobley_3269819; 1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene ; aryl chloride; aromatic
mobley_3274817; 2-[(1R)-1-methylpropyl]-4,6-dinitro-phenolate ; phenol or hydroxyhetarene; nitro; aromatic
mobley_3318135; nonan-5-one ; ketone
mobley_3323117; sulfolane ; cation; heterocyclic
mobley_3325209; trimethoxymethylbenzene ; orthocarboxylic acid derivative; orthoester; aromatic
mobley_3359593; 4-propylguaiacol ; phenol or hydroxyhetarene; alkyl aryl ether; aromatic
mobley_3370989; 1,1-difluoroethane ; alkyl fluoride
mobley_337666; 5-fluorouracil ; aryl fluoride; oxo(het)arene; aromatic; heterocyclic
mobley_3378420; nonan-1-ol ; primary alcohol
mobley_3395921; tetrahydropyran ; dialkyl ether; heterocyclic
mobley_3398536; iodobenzene ; aryl iodide; aromatic
mobley_3414356; 2-methylpentan-2-ol ; tertiary alcohol
mobley_3425174; chloro-fluoro-methane ; alkyl fluoride; alkyl chloride
mobley_3452749; 1,2,3-trimethylbenzene ; aromatic
mobley_349850; 1-(p-tolyl)ethanone ; ketone; aromatic
mobley_3515580; 2-methoxyphenol ; phenol or hydroxyhetarene; alkyl aryl ether; aromatic
mobley_352111; 2-acetoxyethyl acetate ; carboxylic acid ester
mobley_3525176; pentylbenzene ; aromatic
mobley_3546460; hexan-1-ol ; primary alcohol
mobley_3572203; pentyl propanoate ; carboxylic acid ester
mobley_3573480; heptan-2-one ; ketone
mobley_3589456; 2-chloro-1,1,1-trimethoxy-ethane ; alkyl chloride; orthocarboxylic acid derivative; orthoester
mobley_36119; octan-1-ol ; primary alcohol
mobley_3639400; 1-chlorobutane ; alkyl chloride
mobley_3663158; naphthalen-2-ol ; phenol or hydroxyhetarene; aromatic
mobley_3682850; cyclohexanone ; ketone
mobley_3686115; 1,1-diethoxyethane ; acetal
mobley_3690931; propyl butanoate ; carboxylic acid ester
mobley_3709920; non-1-ene ; alkene
mobley_3715043; 1,4-dimethylnaphthalene ; aromatic
mobley_3727287; quinone ; ketone; alkene
mobley_3738859; 1-bromo-pentane ; alkyl bromide
mobley_3746675; isopropenylbenzene ; alkene; aromatic
mobley_3761215; 1,1,1-trichloroethane ; halogen derivative
mobley_3762186; dichloromethane ; alkyl chloride
mobley_3775790; 1-methylpyrrole ; aromatic; heterocyclic
mobley_3777264; 3-nitroaniline ; primary amine; primary aromatic amine; nitro; aromatic
mobley_3802803; hexyl nitrate ; nitrate
mobley_3843583; naphthalen-1-amine ; primary amine; primary aromatic amine; aromatic
mobley_3867265; acetone ; ketone
mobley_3968043; cyclopentanone ; ketone
mobley_3968739; methyl benzoate ; carboxylic acid ester; aromatic
mobley_3969312; benzaldehyde ; aldehyde; aromatic
mobley_397645; ethyl benzoate ; carboxylic acid ester; aromatic
mobley_3976574; 1,2,3,4,7-pentachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_3980099; 1,2,3-trichlorobenzene ; aryl chloride; aromatic
mobley_3982371; methyl acetate ; carboxylic acid ester
mobley_3999471; 1,1-dichloroethane ; alkyl chloride
mobley_4013838; 2,4-dimethylpentan-3-one ; ketone
mobley_4035953; o-cresol ; phenol or hydroxyhetarene; aromatic
mobley_4039055; 5-bromouracil ; aryl bromide; oxo(het)arene; aromatic; heterocyclic
mobley_4043951; pent-1-ene ; alkene
mobley_4043987; 2-methylhexane ;
mobley_4059279; 1,4-dimethylpiperazine ; tertiary amine; tertiary aliphatic amine (trialkylamine); heterocyclic
mobley_4149784; 2,7-dichlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_4177472; 2,3,4-trimethylpentane ;
mobley_4188615; N,N-dimethylbenzamide ; tertiary carboxylic acid amide; aromatic
mobley_4193752; nitrobenzene ; nitro; aromatic
mobley_4218209; 4-methoxyaniline ; alkyl aryl ether; primary amine; primary aromatic amine; aromatic
mobley_4219614; 1,2,3,4-tetrachlorobenzene ; aryl chloride; aromatic
mobley_4252724; isobutylbenzene ; aromatic
mobley_4287564; 2-methylpyridine ; aromatic; heterocyclic
mobley_4291494; 2-chloropyridine ; aryl chloride; aromatic; heterocyclic
mobley_430089; pent-1-yne ; alkyne
mobley_4305650; propanenitrile ; carbonitrile
mobley_4338603; 6-chlorouracil ; aryl chloride; oxo(het)arene; aromatic; heterocyclic
mobley_4364398; iodomethane ; alkyl iodide
mobley_4371692; 1-amino-4-hydroxy-9,10-anthracenedione ; ketone; phenol or hydroxyhetarene; primary amine; primary aromatic amine; aromatic
mobley_4375719; nonane ;
mobley_4395315; 4-chloro-3-methyl-phenol ; phenol or hydroxyhetarene; aryl chloride; aromatic
mobley_4434915; chloromethane ; alkyl chloride
mobley_4463913; 1-acetoxyethyl acetate ; carboxylic acid ester
mobley_4465023; (Z)-1,2-dichloroethylene ; halogen derivative; alkene
mobley_4479135; 1,1-diphenylethene ; alkene; aromatic
mobley_4483973; fluorobenzene ; aryl fluoride; aromatic
mobley_4494568; 1-bromo-4-methyl-benzene ; aryl bromide; aromatic
mobley_4506634; 2-bromo-2-chloro-1,1,1-trifluoro-ethane ; alkyl chloride; alkyl bromide
mobley_4553008; 1,4-dichlorobenzene ; aryl chloride; aromatic
mobley_4561957; 2,3-dimethylbutane ;
mobley_4584540; 2,6-dimethylpyridine ; aromatic; heterocyclic
mobley_4587267; (2R,3R,4R,5R)-Hexan-1,2,3,4,5,6-hexol ; primary alcohol; secondary alcohol; 1,2-diol
mobley_4603202; 1-chloro-2-(2-chloroethoxy)ethane ; dialkyl ether; alkyl chloride
mobley_4609460; ethyl paraben ; phenol or hydroxyhetarene; carboxylic acid ester; aromatic
mobley_4613090; 1-benzylimidazole ; aromatic; heterocyclic
mobley_4620651; methyl cyclopropanecarboxylate ; carboxylic acid ester
mobley_4630641; 1,2-dimethoxyethane ; dialkyl ether
mobley_4639255; ethylene glycol ; primary alcohol; 1,2-diol
mobley_4678740; m-bis(trifluoromethyl)benzene ; halogen derivative; aromatic
mobley_4683624; 4-propylphenol ; phenol or hydroxyhetarene; aromatic
mobley_4687447; 2-propoxyethanol ; primary alcohol; dialkyl ether
mobley_468867; heptachlor ; alkyl chloride; alkene
mobley_4690963; 1,2-diethoxyethane ; dialkyl ether
mobley_4694328; octanal ; aldehyde
mobley_4699732; 1,2-dichloropropane ; alkyl chloride
mobley_4715906; 1,2-dimethylcyclohexane ;
mobley_4759887; 1-iodoheptane ; alkyl iodide
mobley_4762983; hept-1-ene ; alkene
mobley_4780078; 2,4-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_4792268; pentanoic acid ; carboxylic acid
mobley_4845722; hexachlorobenzene ; aryl chloride; aromatic
mobley_4850657; methanesulfonyl chloride ; sulfonyl halide
mobley_486214; 2,6-dimethoxyphenol ; phenol or hydroxyhetarene; alkyl aryl ether; aromatic
mobley_4883284; aniline ; primary amine; primary aromatic amine; aromatic
mobley_4884177; 3-ethylpyridine ; aromatic; heterocyclic
mobley_4893032; pentanenitrile ; carbonitrile
mobley_4924862; isopentyl formate ; carboxylic acid ester
mobley_49274; hept-1-yne ; alkyne
mobley_4934872; diethoxymethoxybenzene ; orthocarboxylic acid derivative; orthoester; aromatic
mobley_4936555; 2-(2,3-dimethylphenyl)aminobenzoic acid ; secondary amine; secondary aromatic amine (diarylamine); carboxylic acid; aromatic
mobley_4964807; nitroxyacetone ; ketone; nitrate
mobley_4983965; ethylsulfanylethane ; thioether
mobley_5003962; 2-amino-9,10-anthraquinone ; ketone; primary amine; primary aromatic amine; aromatic
mobley_5006685; 4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde ; aldehyde; alkene
mobley_5026370; pyridine-4-carbonitrile ; carbonitrile; aromatic; heterocyclic
mobley_5052949; 1-propylsulfanylpropane ; thioether
mobley_5056289; 2-methyltetrahydrofuran ; dialkyl ether; heterocyclic
mobley_5063386; 2-nitrophenol ; phenol or hydroxyhetarene; nitro; aromatic
mobley_5072416; 2-methoxyaniline ; alkyl aryl ether; primary amine; primary aromatic amine; aromatic
mobley_5076071; 1-N,1-N-diethyl-2,6-dinitro-4-(trifluoromethyl)benzene-1,3-diamine ; primary amine; primary aromatic amine; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); halogen derivative; nitro; aromatic
mobley_5079234; heptan-1-ol ; primary alcohol
mobley_5094777; indane ; aromatic
mobley_5110043; 2,6-dimethylnaphthalene ; aromatic
mobley_511661; butadiene ; alkene
mobley_5123639; 4-methylpentan-2-ol ; secondary alcohol
mobley_5157661; isobutane ;
mobley_5200358; aldicarb ; thioether; carbamic acid
mobley_5220185; 2-ethylpyrazine ; aromatic; heterocyclic
mobley_525934; methanethiol ; thiol (sulfanyl); alkylthiol
mobley_5263791; 1-ethylnaphthalene ; aromatic
mobley_52782; 1,2-dinitroxyethane ; nitrate
mobley_5282042; Amitriptyline ; tertiary amine; tertiary aliphatic amine (trialkylamine); alkene; aromatic
mobley_5286200; 1,4-dichlorobutane ; alkyl chloride
mobley_5310099; hex-1-ene ; alkene
mobley_5311804; phenylmethanol ; primary alcohol; aromatic
mobley_5326154; N,N-dimethylaniline ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); aromatic
mobley_5346580; 3,3-dimethylbutan-2-one ; ketone
mobley_5347550; 2,2-dichloro-1,1-difluoro-1-methoxy-ethane ; alkyl chloride; orthocarboxylic acid derivative
mobley_5371840; 2-chlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_5390332; methyl butanoate ; carboxylic acid ester
mobley_5393242; diazinon ; thiophosphoric acid ester; aromatic; heterocyclic
mobley_5445548; cumene ; aromatic
mobley_5449201; n-pentane ;
mobley_5456566; 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene ; aryl chloride; aromatic
mobley_5467162; 4-tert-butylphenol ; phenol or hydroxyhetarene; aromatic
mobley_5471704; isopentyl acetate ; carboxylic acid ester
mobley_547634; 2,3-dimethylnaphthalene ; aromatic
mobley_5494918; 1,1,2,3,3,3-hexafluoroprop-1-ene ; halogen derivative
mobley_5499659; 1-methylimidazole ; aromatic; heterocyclic
mobley_550662; 1,1,1-trimethoxyethane ; orthocarboxylic acid derivative; orthoester
mobley_5510474; 1,2,3,4-tetrachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_5518547; 4-methylaniline ; primary amine; primary aromatic amine; aromatic
mobley_5520946; benzenethiol ; thiol (sulfanyl); arylthiol (thiophenol); aromatic
mobley_5538249; 1,3,5-trichloro-2-phenyl-benzene ; aryl chloride; aromatic
mobley_5561855; 1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene ; aryl chloride; aromatic
mobley_5571660; 2,6-dimethylaniline ; primary amine; primary aromatic amine; aromatic
mobley_5600967; 4-methoxy-N,N-dimethyl-benzamide ; alkyl aryl ether; tertiary carboxylic acid amide; aromatic
mobley_5616693; (2S,5R)-2-isopropyl-5-methylcyclohexanone ; ketone
mobley_5627459; 2-methylpropanal ; aldehyde
mobley_5631798; ammonia ;
mobley_5665561; 1,3-dimethylnaphthalene ; aromatic
mobley_5690766; hexa-1,5-diene ; alkene
mobley_5692472; N-methylmethanamine ; secondary amine; secondary aliphatic amine (dialkylamine)
mobley_5708811; dicamba ; alkyl aryl ether; aryl chloride; carboxylic acid; aromatic
mobley_5732611; 4-methyl-1H-imidazole ; aromatic; heterocyclic
mobley_5747188; 1-methyl-2-nitro-benzene ; nitro; aromatic
mobley_5747981; 1,1,1,2-tetramethoxyethane ; dialkyl ether; orthocarboxylic acid derivative; orthoester
mobley_5759258; pentan-1-ol ; primary alcohol
mobley_5760563; dimethyl sulfate ; sulfuric acid diester
mobley_5816127; 2-methoxyethanol ; primary alcohol; dialkyl ether
mobley_5852491; methylcyclopentane ;
mobley_5857; quinoline ; aromatic; heterocyclic
mobley_5880265; 2-butoxyethanol ; primary alcohol; dialkyl ether
mobley_588781; hexylbenzene ; aromatic
mobley_5890803; propyl propanoate ; carboxylic acid ester
mobley_590519; ethyldisulfanylethane ; disulfide
mobley_5917842; 4-methyl-2-methoxyphenol ; phenol or hydroxyhetarene; alkyl aryl ether; aromatic
mobley_5935995; 2,2-dimethylbutane ;
mobley_5948990; 2-nitroaniline ; primary amine; primary aromatic amine; nitro; aromatic
mobley_5952846; 1,1,2,2-tetrachloroethylene ; halogen derivative
mobley_5973402; 3-methylbutan-1-ol ; primary alcohol
mobley_5977084; 3-methylpyridine ; aromatic; heterocyclic
mobley_6006813; 1-nitrobutane ; nitro
mobley_6055410; diflunisal ; phenol or hydroxyhetarene; aryl fluoride; carboxylic acid; aromatic
mobley_6060301; hexan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_6081058; oct-2-enal ; aldehyde; alkene
mobley_6082662; 4-nitroaniline ; primary amine; primary aromatic amine; nitro; aromatic
mobley_6091882; ethylene ; alkene
mobley_6102880; diphenyl ether ; diaryl ether; aromatic
mobley_6115639; trimethyl phosphate ; phosphoric acid ester
mobley_6175884; 4-methylbenzaldehyde ; aldehyde; aromatic
mobley_6190089; 1,1,2,2-tetrachloroethane ; alkyl chloride
mobley_6195751; 2,6-dichlorosyringaldehyde ; aldehyde; phenol or hydroxyhetarene; alkyl aryl ether; aryl chloride; aromatic
mobley_6198745; 2,3-diacetoxypropyl acetate ; carboxylic acid ester
mobley_6201330; propyl paraben ; phenol or hydroxyhetarene; carboxylic acid ester; aromatic
mobley_6232400; pyridine-3-carbaldehyde ; aldehyde; aromatic; heterocyclic
mobley_6235784; 2-chlorobutane ; alkyl chloride
mobley_6239320; cyanuric acid ; oxo(het)arene; aromatic; heterocyclic
mobley_6248915; octan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_6250025; 1-iodohexane ; alkyl iodide
mobley_6257907; 3-chloroaniline ; primary amine; primary aromatic amine; aryl chloride; aromatic
mobley_6266306; azetidine ; secondary amine; secondary aliphatic amine (dialkylamine); heterocyclic
mobley_627267; 1-bromo-2-methyl-propane ; alkyl bromide
mobley_628086; 1,1,1-trifluoropropan-2-ol ; secondary alcohol; halogen derivative
mobley_628951; 1,3-dichloro-2-(2,6-dichlorophenyl)benzene ; aryl chloride; aromatic
mobley_6303022; 4-ethylpyridine ; aromatic; heterocyclic
mobley_6309289; piperidine ; secondary amine; secondary aliphatic amine (dialkylamine); heterocyclic
mobley_632905; 1-(4-methoxyphenyl)ethanone ; ketone; alkyl aryl ether; aromatic
mobley_6334915; (1R)-2,2,2-trichloro-1-dimethoxyphosphoryl-ethanol ; halogen derivative; phosphonic acid derivative; phosphonic acid ester
mobley_6338073; terbutryn ; thioether; secondary amine; secondary aliphatic/aromatic amine (alkylarylamine); aromatic; heterocyclic
mobley_6353617; 1-(3-pyridyl)ethanone ; ketone; aromatic; heterocyclic
mobley_6358463; 1,2-bis(trifluoromethyl)benzene ; halogen derivative; aromatic
mobley_6359135; carbon tetrachloride ; halogen derivative
mobley_6359156; 1,4-dichloro-2-phenyl-benzene ; aryl chloride; aromatic
mobley_63712; 1-methylpiperidine ; tertiary amine; tertiary aliphatic amine (trialkylamine); heterocyclic
mobley_637522; anthracene ; aromatic
mobley_6416775; propylcyclopentane ;
mobley_6430250; propylbenzene ; aromatic
mobley_6456034; isobutyl 2-methylpropanoate ; carboxylic acid ester
mobley_646007; pyrrolidine ; secondary amine; secondary aliphatic amine (dialkylamine); heterocyclic
mobley_6474572; chloroethylene ; halogen derivative; alkene
mobley_6497672; but-2-enal ; aldehyde; alkene
mobley_6522117; 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate ; aryl chloride; phosphoric acid ester; alkene; aromatic
mobley_6571751; 1-methylcyclohexene ; alkene
mobley_6619554; ethyl pentanoate ; carboxylic acid ester
mobley_6620221; carbofuran ; alkyl aryl ether; carbamic acid ester (urethane); aromatic; heterocyclic
mobley_6632459; propanal ; aldehyde
mobley_664966; diiodomethane ; alkyl iodide
mobley_667278; 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene ; aryl chloride; aromatic
mobley_6688723; 3,5-dichloro-2,6-dimethoxyphenol ; phenol or hydroxyhetarene; alkyl aryl ether; aryl chloride; aromatic
mobley_6714389; methanamine ; primary amine; primary aliphatic amine (alkylamine)
mobley_6727159; 2-(nitrooxy)ethan-1-ol ; primary alcohol; nitrate
mobley_6733657; chlordane ; alkyl chloride; alkene
mobley_6739648; 1,4-dioxane ; dialkyl ether; heterocyclic
mobley_6743808; 3,4-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_676247; tetrafluoromethane ; halogen derivative
mobley_6794076; 1-(4-pyridyl)ethanone ; ketone; aromatic; heterocyclic
mobley_6804509; 1,2,4,5-tetrachlorobenzene ; aryl chloride; aromatic
mobley_6812653; hexane ;
mobley_6843802; 1,2,2-trifluoroethoxybenzene ; alkyl fluoride; aromatic
mobley_6854178; isopropyl formate ; carboxylic acid ester
mobley_6861308; fenuron ; urea; aromatic
mobley_6896128; 3-methylheptane ;
mobley_6911232; methoxyethane ; dialkyl ether
mobley_6917738; 2-methoxyethanamine ; dialkyl ether; primary amine; primary aliphatic amine (alkylamine)
mobley_6929123; methyl 2-chloroacetate ; alkyl chloride; carboxylic acid ester
mobley_6935906; (3R)-3,7-Dimethylocta-1,6-dien-3-yl acetate ; carboxylic acid ester; alkene
mobley_6973347; ethyl acetate ; carboxylic acid ester
mobley_6978427; methyl cyclohexanecarboxylate ; carboxylic acid ester
mobley_6981465; isopropyl acetate ; carboxylic acid ester
mobley_6988468; 2-ethylpyridine ; aromatic; heterocyclic
mobley_7009711; 3,5-dimethylphenol ; phenol or hydroxyhetarene; aromatic
mobley_7010316; cyclohexanol ; secondary alcohol
mobley_7015518; methoxymethane ; dialkyl ether
mobley_7017274; phenanthrene ; aromatic
mobley_7039935; naphthalen-1-ol ; phenol or hydroxyhetarene; aromatic
mobley_7047032; 2-chloro-2-methyl-propane ; alkyl chloride
mobley_7066554; 4-chlorophenol ; phenol or hydroxyhetarene; aryl chloride; aromatic
mobley_7099614; 3-chloroprop-1-ene ; alkyl chloride; alkene
mobley_7106722; isohexane ;
mobley_7142697; pentan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_7150646; 1,4-dibromobenzene ; aryl bromide; aromatic
mobley_7157427; 1-chloroheptane ; alkyl chloride
mobley_7176248; trifluralin ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); halogen derivative; nitro; aromatic
mobley_7176290; 3-nitrophenol ; phenol or hydroxyhetarene; nitro; aromatic
mobley_718988; heptan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_7200804; 2-fluorophenol ; phenol or hydroxyhetarene; aryl fluoride; aromatic
mobley_7203421; hexanamide ; primary carboxylic acid amide
mobley_7227357; pentan-3-ol ; secondary alcohol
mobley_7239499; 1-chlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_7261305; hydrazine ; hydrazine derivative
mobley_7295828; anisole ; alkyl aryl ether; aromatic
mobley_7298388; 1-methyl-3-nitro-benzene ; nitro; aromatic
mobley_7326706; chlorpyrifos ; aryl chloride; thiophosphoric acid ester; aromatic; heterocyclic
mobley_7326982; propan-2-ol ; secondary alcohol
mobley_7360181; 1,1,1-trifluoro-2,2,2-trimethoxyethane ; halogen derivative; orthocarboxylic acid derivative; orthoester
mobley_7364468; 3,5,5-trimethylcyclohex-2-en-1-one ; ketone; alkene
mobley_7375018; undecan-2-one ; ketone
mobley_7378987; caffeine ; oxo(het)arene; aromatic; heterocyclic
mobley_7393673; methyl 4-methoxybenzoate ; alkyl aryl ether; carboxylic acid ester; aromatic
mobley_7415647; N,N-dimethyl-4-nitro-benzamide ; tertiary carboxylic acid amide; nitro; aromatic
mobley_7417968; 2-ethoxyethyl acetate ; dialkyl ether; carboxylic acid ester
mobley_7455579; isobutyl formate ; carboxylic acid ester
mobley_7463408; N-(3,4-dichlorophenyl)propanimidic acid ; aryl chloride; secondary carboxylic acid amide; aromatic
mobley_7463799; 3-phenylpropan-1-ol ; primary alcohol; aromatic
mobley_7497999; 1-phenylethanone ; ketone; aromatic
mobley_7532833; acetonitrile ; carbonitrile
mobley_7542832; 1-propoxypropane ; dialkyl ether
mobley_755351; 3-methoxyaniline ; alkyl aryl ether; primary amine; primary aromatic amine; aromatic
mobley_7573149; propyl acetate ; carboxylic acid ester
mobley_7578802; bromoform ; halogen derivative
mobley_7599023; bromobenzene ; aryl bromide; aromatic
mobley_7608435; methyl octanoate ; carboxylic acid ester
mobley_7608462; chlorobenzene ; aryl chloride; aromatic
mobley_7610437; 2-methylpentan-3-ol ; secondary alcohol
mobley_766666; 1,1,2-trichloroethylene ; halogen derivative
mobley_7676709; 6-isopropyl-3-methyl-1-cyclohex-2-enone ; ketone; alkene
mobley_7688753; 3-hydroxybenzaldehyde ; aldehyde; phenol or hydroxyhetarene; aromatic
mobley_7690440; methyldisulfanylmethane ; disulfide
mobley_7708038; 1-bromopropane ; alkyl bromide
mobley_7732703; bromo-trifluoro-methane ; halogen derivative
mobley_7735340; imidazole ; aromatic; heterocyclic
mobley_7754849; ethion ; thiophosphoric acid ester
mobley_7758918; propionic acid ; carboxylic acid
mobley_7768165; 1-bromo-2-chloro-ethane ; alkyl chloride; alkyl bromide
mobley_7769613; 2-bromo-2-methyl-propane ; alkyl bromide
mobley_7774695; N-methylaniline ; secondary amine; secondary aliphatic/aromatic amine (alkylarylamine); aromatic
mobley_778352; 2-methylbut-2-ene ; alkene
mobley_7794077; 5-trifluoromethyluracil ; halogen derivative; oxo(het)arene; aromatic; heterocyclic
mobley_7814642; 1,2,4-trichlorobenzene ; aryl chloride; aromatic
mobley_7829570; N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline ; tertiary amine; tertiary aliphatic/aromatic amine (alkylarylamine); halogen derivative; nitro; aromatic
mobley_7859387; heptanal ; aldehyde
mobley_7860938; N-butylbutan-1-amine ; secondary amine; secondary aliphatic amine (dialkylamine)
mobley_7869158; [(2S)-butan-2-yl] nitrate ; nitrate
mobley_7893124; tert-butylbenzene ; aromatic
mobley_7912193; butyl paraben ; phenol or hydroxyhetarene; carboxylic acid ester; aromatic
mobley_7913234; 1-butoxy-2-propanol ; secondary alcohol; dialkyl ether
mobley_7943327; ethyl propanoate ; carboxylic acid ester
mobley_7977115; hexan-3-ol ; secondary alcohol
mobley_7983227; 2-methylbutan-1-ol ; primary alcohol
mobley_7988076; 4-hydroxybenzaldehyde ; aldehyde; phenol or hydroxyhetarene; aromatic
mobley_8006582; cyclopentane ;
mobley_8011706; N,N-dimethylformamide ; tertiary carboxylic acid amide
mobley_8048190; acetamide ; primary carboxylic acid amide
mobley_8052240; 1-amino-9,10-anthracenedione ; ketone; primary amine; primary aromatic amine; aromatic
mobley_8057732; 3-chlorophenol ; phenol or hydroxyhetarene; aryl chloride; aromatic
mobley_8117218; endrin ; dialkyl ether; alkyl chloride; alkene; heterocyclic
mobley_8118832; prop-2-en-1-ol ; primary alcohol; alkene
mobley_8124669; alachlor ; hemiaminal; alkyl chloride; tertiary carboxylic acid amide; aromatic
mobley_8127829; ethylbenzene ; aromatic
mobley_819018; (2E)-3,7-dimethylocta-2,6-dien-1-ol ; primary alcohol; alkene
mobley_8191186; 2-chloro-1,1,1-trifluoro-ethane ; alkyl chloride
mobley_8207196; simazine ; secondary amine; secondary aliphatic/aromatic amine (alkylarylamine); aryl chloride; aromatic; heterocyclic
mobley_820789; butyric acid ; carboxylic acid
mobley_8208692; 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene ; aryl chloride; aromatic
mobley_8221999; butanenitrile ; carbonitrile
mobley_8260524; prop-1-yne ; alkyne
mobley_8311303; 1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene ; aryl chloride; aromatic
mobley_8311321; chloro-difluoro-methane ; halogen derivative
mobley_8320545; 1-nitroethane ; nitro
mobley_8337722; (1R,2S,5R)-2-isopropyl-5-methylcyclohexanol ; secondary alcohol
mobley_8337977; 4-methylpentan-2-one ; ketone
mobley_8426916; N-ethylethanamine ; secondary amine; secondary aliphatic amine (dialkylamine)
mobley_8427539; propionamide ; primary carboxylic acid amide
mobley_8436428; 2,4-dimethylpentane ;
mobley_8449031; N,N-diethylethanamine ; tertiary amine; tertiary aliphatic amine (trialkylamine)
mobley_8467917; hept-2-ene ; alkene
mobley_8492526; pentanal ; aldehyde
mobley_8514745; pentyl acetate ; carboxylic acid ester
mobley_8522124; oct-1-yne ; alkyne
mobley_8525830; 1-iodopentane ; alkyl iodide
mobley_852937; 4-fluorophenol ; phenol or hydroxyhetarene; aryl fluoride; aromatic
mobley_8558116; 4-methylmorpholine ; dialkyl ether; tertiary amine; tertiary aliphatic amine (trialkylamine); heterocyclic
mobley_8573194; butanal ; aldehyde
mobley_8578590; methylsulfinylmethane ; sulfoxide
mobley_859464; isobutyl acetate ; carboxylic acid ester
mobley_8614858; heptane ;
mobley_8668219; 2,3-dimethylpentane ;
mobley_8685905; 2-bromo-1,1,1,2-tetrafluoro-ethane ; alkyl fluoride; alkyl bromide
mobley_8691603; m-cresol ; phenol or hydroxyhetarene; aromatic
mobley_8705848; N-isopropylpropan-2-amine ; secondary amine; secondary aliphatic amine (dialkylamine)
mobley_8713762; N,N-dipropyl(propylsulfanyl)formamide ; thiocarbamic acid ester
mobley_8723116; 4-chloroaniline ; primary amine; primary aromatic amine; aryl chloride; aromatic
mobley_8739734; 3-methylbutan-2-one ; ketone
mobley_8746821; 2,3-dimethylpyridine ; aromatic; heterocyclic
mobley_8754702; propyl formate ; carboxylic acid ester
mobley_8764620; pyridine-3-carbonitrile ; carbonitrile; aromatic; heterocyclic
mobley_8765203; isoprene ; alkene
mobley_8772587; 1-iodobutane ; alkyl iodide
mobley_8785107; 2,5-dimethyltetrahydrofuran ; dialkyl ether; heterocyclic
mobley_8789465; 2-iodophenol ; phenol or hydroxyhetarene; aryl iodide; aromatic
mobley_8789864; 3,3,3-trimethoxypropanenitrile ; carbonitrile; orthocarboxylic acid derivative; orthoester
mobley_8798016; pyridine-4-carbaldehyde ; aldehyde; aromatic; heterocyclic
mobley_8809190; butylbenzene ; aromatic
mobley_8809274; trifluoromethylbenzene ; halogen derivative; aromatic
mobley_8823527; 1,2,3-trichloro-5-(2,5-dichlorophenyl)benzene ; aryl chloride; aromatic
mobley_8827942; 1,2,4-trichlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_8861672; 2,4-dimethylpyridine ; aromatic; heterocyclic
mobley_8882696; tetrahydrofuran ; dialkyl ether; heterocyclic
mobley_8883511; 2-methylbenzaldehyde ; aldehyde; aromatic
mobley_8885088; cyclopentene ; alkene
mobley_8899867; cyclopentanol ; secondary alcohol
mobley_8916409; diethyl (2R)-2-dimethoxyphosphinothioylsulfanylbutanedioate ; carboxylic acid ester; thiophosphoric acid ester
mobley_8966374; 2-methylpyrazine ; aromatic; heterocyclic
mobley_8983100; bromomethane ; alkyl bromide
mobley_900088; 2,3-dimethylbuta-1,3-diene ; alkene
mobley_9007496; naphthalen-1-yl N-methylcarbamate ; carbamic acid ester (urethane); aromatic
mobley_9015240; 1-bromooctane ; alkyl bromide
mobley_9028462; methyl 2,2,2-trifluoroacetate ; halogen derivative; carboxylic acid ester
mobley_902954; butyl nitrate ; nitrate
mobley_9029594; fluoromethane ; alkyl fluoride
mobley_9055303; methane ;
mobley_9073553; methylsulfanylmethane ; thioether
mobley_9100956; methylcyclohexane ;
mobley_9112978; pent-2-ene ; alkene
mobley_9114381; methyl 2-cyanoacetate ; carboxylic acid ester; carbonitrile
mobley_9121449; but-1-yne ; alkyne
mobley_9139060; 1,4-dimethylcyclohexane ;
mobley_9185328; propan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_9197172; oct-1-ene ; alkene
mobley_9201263; methyl methanesulfonate ; sulfonic acid ester
mobley_9209581; N,N-dimethylmethanamine ; tertiary amine; tertiary aliphatic amine (trialkylamine)
mobley_9246215; penta-1,4-diene ; alkene
mobley_9246351; dibromomethane ; alkyl bromide
mobley_9257453; 3,4-dichlorophenol ; phenol or hydroxyhetarene; aryl chloride; aromatic
mobley_9281946; diethoxy-(4-nitrophenoxy)-thioxo-$l^{5}-phosphane ; nitro; thiophosphoric acid ester; aromatic
mobley_929676; 1-bromohexane ; alkyl bromide
mobley_9407874; octan-2-one ; ketone
mobley_9414831; 1-methylnaphthalene ; aromatic
mobley_9434451; 2-bromopropane ; alkyl bromide
mobley_9460824; diethoxy-(ethylsulfanylmethylsulfanyl)-thioxo-$l^{5}-phosphane ; thiophosphoric acid ester
mobley_9478823; o-xylene ; aromatic
mobley_9507933; 2,5-dimethylpyridine ; aromatic; heterocyclic
mobley_9510785; 1,2,3,4-tetrachloro-5-phenyl-benzene ; aryl chloride; aromatic
mobley_951560; piperazine ; secondary amine; secondary aliphatic amine (dialkylamine); heterocyclic
mobley_9534740; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol ; hemiacetal; primary alcohol; secondary alcohol; 1,2-diol; heterocyclic
mobley_9557440; 5-chlorouracil ; aryl chloride; oxo(het)arene; aromatic; heterocyclic
mobley_9565165; 9H-fluorene ; aromatic
mobley_9571888; endosulfan alpha ; alkyl chloride; alkene; heterocyclic
mobley_9617923; decan-2-one ; ketone
mobley_9624458; 1,3-dichloropropane ; alkyl chloride
mobley_9626434; 2-ethoxyethanol ; primary alcohol; dialkyl ether
mobley_9653690; (1S,5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol ; secondary alcohol; alkene
mobley_967099; 2-nitropropane ; nitro
mobley_9671033; 1-nitropropane ; nitro
mobley_9705941; 2-methylthiophene ; aromatic; heterocyclic
mobley_9717937; 1-chloro-2-phenyl-benzene ; aryl chloride; aromatic
mobley_9729792; cyclohepta-1,3,5-triene ; alkene
mobley_9733743; butan-1-amine ; primary amine; primary aliphatic amine (alkylamine)
mobley_9740891; dichlobenil ; aryl chloride; carbonitrile; aromatic
mobley_9741965; 1,3-bis-(nitrooxy)butane ; nitrate
mobley_9794857; 2-methoxy-2-methyl-propane ; dialkyl ether
mobley_9821936; 1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin ; diaryl ether; aryl chloride; aromatic; heterocyclic
mobley_9838013; 2-methylbutan-2-ol ; tertiary alcohol
mobley_9883303; 3-methylhexane ;
mobley_9897248; (2Z)-3,7-dimethylocta-2,6-dien-1-ol ; primary alcohol; alkene
mobley_9913368; (E)-1,2-dichloroethylene ; halogen derivative; alkene
mobley_9942801; 1-ethyl-4-methyl-benzene ; aromatic
mobley_994483; bromoethane ; alkyl bromide
mobley_9974966; 2-isopropylsulfanylpropane ; thioether
mobley_9979854; 111-trifluoropropan-2-ol ; secondary alcohol; halogen derivative