#3951 - Aromatizing causes NULL in export to MDL Molfile V2000 format file #5192
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When a molecule name is null we now don't print out 'null' but print an empty string instead. This is in accordance with the specification: A compound record contains several distinct sections. First, there is a three-line header block. These three lines may contain: The name of the molecule Details of the software used to generate the compound structure A comment Alternatively, any (or all) of these lines may be left blank.
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Issue => 3951
How did you fix the issue?
When a molecule name is null we now don't print out 'null' but print an empty string instead.
This is in accordance with the specification https://www.nonlinear.com/progenesis/sdf-studio/v0.9/faq/sdf-file-format-guidance.aspx#:~:text=Molfiles%20are%20text%20files%20which,libraries%20of%20compound%20structure%20data. :
"A compound record contains several distinct sections. First, there is a three-line header block. These three lines may contain:
Alternatively, any (or all) of these lines may be left blank."
Check list
#1234 – issue name