Hi, I had some questions about Morgan fingerprint counts. I used 
AllChem.GetHashedMorganFingerprint(mol, 2, nBits=2048) to get counts as 
descriptors for ML models. I am looking at the feature importance and some of 
these bits came up as important. I had a few questions on understanding these 
hashed fingerprints.


  1.  Are the structures the bits represent the same for 
GetHashedMorganFingerprint and GetMorganFingerprintasBitVect?

  1.  How can I visualize what a specific bit in the hashed morgan fingerprint 
looks like? Can I use DrawMorganBit to visualize it the same way I would for 
the normal fingerprint?

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