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 Adipic acid
5 spectra     
 C6H10O4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  146.05791   
  
   
 Agmatine
5 spectra     
 C5H14N4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  130.12186   
  
   
 Albendazole
3 spectra     
 C12H15N3O2S  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  265.08850   
  
   
 Allantoic acid
5 spectra     
 C4H8N4O4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  176.05455   
  
   
 Alliin
5 spectra     
 C6H11NO3S  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  177.04596   
  
   
 allo-Threonine
9 spectra     
 C4H9NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  119.05824   
  
   
 Allocryptopine
12 spectra     
 C21H23NO5  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  369.15762   
  
   
 alpha-D-(+)-mannose 1-phosphate
5 spectra     
 C6H13O9P  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  260.02972   
  
   
 alpha-Methylserine
5 spectra     
 C4H9NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  119.05824   
  
   
 Amantadine
5 spectra     
 C10H17N  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  151.13609   
  
   
 Amidopyrine
9 spectra     
 C13H17N3O  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  231.13716   
  
   
 Amifostine
5 spectra     
 C5H15N2O3PS  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  214.05409   
  
   
 Amikacin
5 spectra     
 C22H43N5O13  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  585.28577   
  
   
 Amiloride
8 spectra     
 C6H8ClN7O  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  229.04790   
  
   
 Aminophylline
10 spectra     
 C7H8N4O2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  180.06473   
  
   
 Ampicillin
5 spectra     
 C16H19N3O4S  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  349.10962   
  
   
 Anabasine
5 spectra     
 C10H14N2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  162.11571   
  
   
 Aniline
10 spectra     
 C6H7N  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  93.05785   
  
   
 Anthranilic acid
10 spectra     
 C7H7NO2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  137.04768   
  
   
 Apramycin
11 spectra     
 C21H41N5O11  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  539.28027   
  
   
 Arginine ethyl ester
5 spectra     
 C8H18N4O2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  202.14297   
  
   
 Argininosuccinic acid
18 spectra     
 C10H18N4O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  290.12262   
  
   
 Atropine
7 spectra     
 C17H23NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  289.16779   
  
   
 Azelaic acid
5 spectra     
 C9H16O4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  188.10486   
  
   
 Azetidine-2-carboxylic acid
3 spectra     
 C4H7NO2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  101.04768   
         
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