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Sample structures from the NCI database
121664 2-Amino-5-nitrothiazole
117793 2-Aminoanthraquinone
95454 Dimethylglyoxime
603350 Triphenylphosphine
88584 2,5-Di-tert-butylhydroquinone
89258 3-Methyl-1-phenyl-2-pyrazolin-5-one
642319 9-Anthraldehyde
638460 n-Butyl ethyl sulphide
5350414 Benzyl trimethylammonium bromide
599677 1,1-Diphenylethanol
3431627 3-Nitrobenzaldoxime
5350572 Benzophenone hydrazone
50044 Cortisone-21-acetate
595915 Triphenylacetic acid
620326 Dibenzyl sulphone
779511 alpha-Methylstilbene
879721 beta-Dimethylaminopropiophenone hydrochloride
1563902 N,N-Di-n-butylacetamide
89952 2-Methylbenzyl alcohol
3002231 6-Methylheptane-2,4-dione
104472 4-Methoxyphenylacetonitrile
1122549 4-Acetylpyridine
76379 2,2,3,3-Tetrafluoro-1-propanol
355806 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
5325202 (2H)1,4-Benzothiazin-3(4H)-one
79118 Chloroacetic acid
118923 2-Aminobenzoic acid
65850 Benzoic acid
99605 2-Chloro-4-nitrobenzoic acid
81118 4,4'-Diaminostilbene-2,2'-disulphonic acid
5325439 Disodium 1,2-ethanedisulphonate
79141 Glycolic acid
565742 2-Bromoisovaleric acid
532547 Isonitrosoacetophenone
98986 2-Picolinic acid
598721 2-Bromopropionic acid
598787 2-Chloropropionic acid
107948 3-Chloropropionic acid
499832 Pyridine-2,6-dicarboxylic acid
100265 Pyridine-2,5-dicarboxylic acid
490119 Pyridine-3,4-dicarboxylic acid
127173 Pyruvic acid
69727 Salicylic acid
609994 3,5-Dinitrosalicylic acid
96979 5-Nitrosalicylic acid
584930 2-Bromovaleric acid
592358 n-Butyl carbamate
466375 Benzopinacolone
599666 Di-p-tolyl sulphone
119802 2,2'-Dithiosalicylic acid
3368216 4-Isopropylcinnamic acid
99309 2,6-Dichloro-4-nitroaniline
1738256 3-Dimethylaminopropionitrile
95761 3,4-Dichloroaniline
996985 Oxalyl dihydrazide
5326238 6-Chloronicotinic acid
570241 2-Methyl-6-nitroaniline
5326341 4-Bromo-3-nitrotoluene
5326385 2-Iodo-5-nitrotoluene
1821121 4-Phenylbutyric acid
1011923 alpha-Cyanocinnamic acid
581964 2-Naphthylacetic acid
5326476 2-Amino-5-iodobenzoic acid
608300 2,6-Dibromoaniline
80115 N-Methyl-N-nitroso-p-toluenesulphonamide
3299647 N,N'-Dicyclohexyloxamide
5153402 Bromopentamethylbenzene
603690 Ethyl diacetoacetate
607352 8-Nitroquinoline
533675 2-Deoxy-D-ribose
2942598 2-Chloronicotinic acid
533686 Ethyl 2-bromobutyrate
5336903 9-Acridinecarboxylic acid hydrate
791286 Triphenylphosphine oxide
451821 2-Fluorophenylacetic acid
405505 4-Fluorophenylacetic acid
2312154 4-n-Dodecyloxybenzoic acid
105282 2-n-Heptadecylimidazoline
75525 Nitromethane
623767 1,3-Diethylurea
504290 2-Aminopyridine
100607 N-Methylcyclohexylamine
76835 Chlorotriphenylmethane
107960 3-Mercaptopropionic acid
623789 N-Ethylurethane
124685 2-Amino-2-methylpropanol
96297 Methyl ethyl ketoxime
111400 Diethylenetriamine
4263529 2-Bromoethanesulphonic acid sodium salt
1603403 2-Amino-3-methylpyridine
75898 2,2,2-Trifluoroethanol
98895 Cyclohexanecarboxylic acid
110203 Acetone semicarbazone
82451 1-Aminoanthraquinone
108758 2,4,6-Collidine
111411 N-(2-Hydroxyethyl)ethylenediamine
60333 Linoleic acid
110850 Piperazine anhydrous
603327 Triphenylarsine
2700223 Benzylidenemalononitrile
3893230 alpha-Cyclohexylphenylacetonitrile
629118 1,6-Hexanediol
1505506 3-(4-Methylphenyl)propionic acid
867447 S-Methylisothiouronium sulphate
115195 2-Methyl-3-butyn-2-ol
583608 2-Methylcyclohexanone
537451 2,6-Dibromoquinone-4-chloroimide
117806 2,3-Dichloro-1,4-naphthoquinone
1594565 2,4-Dinitrophenyl thiocyanate
5332730 3-Methoxypropylamine
1155620 N-Benzyloxycarbonyl-L-glutamic acid
824555 2,4-Dimethylbenzyl chloride
5394183 N-(4-Bromobutyl)phthalimide
50840 2,4-Dichlorobenzoic acid
371404 4-Fluoroaniline
5332967 4-Nitrophenylacetone
86986 4,7-Dichloroquinoline
818235 8-Pentadecanone
2458120 3-Amino-4-methylbenzoic acid
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