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Home » DataWarrior » Bug Reports » Name to structure - Triple bonds are not parsed
Name to structure - Triple bonds are not parsed [message #149] Thu, 18 February 2016 12:38 Go to next message
MaxPeters is currently offline  MaxPeters
Messages: 1
Registered: February 2016
Junior Member
Entering the SMILES for HCN:
C#N
in the web form results in
CH4.
The same is true for organic nitriles, they either result in terminal groups or parsing errors.
Re: Name to structure - Triple bonds are not parsed [message #151 is a reply to message #149] Sun, 21 February 2016 13:24 Go to previous message
thomas is currently offline  thomas
Messages: 129
Registered: June 2014
Senior Member
Thank you for reporting this. I found and fixed the bug. The # sign was not properly encoded in the URL sent to the server causing the smiles to to be truncated at the #-position.
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