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perhaps more specificity is needed. The favourite molecule of the brain I would say is glucose as it can only eat glucose and therefore craves it. However you may be asking about neurotransmitters which is not an area I am familiar with. Glucose is a Carbohydrate, more specificially it is a monosaccharide. It is also an aldohexose (6 carbon molecule with an aldehyde group).

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Q: What group contains the favorite molecule of the brain?
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