[Cdk-user] fingerprints generated differently for same molecules using different methods - smileparser and reading the sdf file using IteratingMDLReader

[Gauri S <she...@ya...>]

I have used SmilesParser to parse through the smile and generate the
fingerprint , it prints
fingerprints of query:{0, 1, 17, 87, 95, 142, 168, 273, 274, 294, 299, 300,
301, 306}

when i used sdf file of same molecule and generated fingerprint , it prints
bitsetarray: [{17, 87, 95, 142, 273, 274, 294, 301, 306}]

even if it same molecule , still it does not consider 0,1,168,299,300 bits

So, can anyone please tell me why is this difference and which method is
suitable to get the results properly?
http://old.nabble.com/file/p35424366/code.txt code.txt 
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