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Published 20 hours ago • verified publisher icon chembl

Consider adding normalization rule for azides

Open greglandrum opened this issue 4 years ago • 1 comments

I was surprised to see this form of an azide in the database: image It's an odd form and I only find it once in ChEMBL26 (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1652082/) in contrast to the >3200 structures which have C-N=[N+]=[N-] but I guess it's worth fixing just in case it shows up in future loads?

greglandrum avatar Aug 21 '20 14:08 greglandrum

Hi Greg, thanks for reporting it. Let's check it with @apbento and @agaulton.

eloyfelix avatar Aug 21 '20 14:08 eloyfelix

done in #46

eloyfelix avatar Nov 10 '22 13:11 eloyfelix