The SD Format
In their simplest form, SDF files include a molecular structure in the .mol format.
But SDF files offer more possibilities: they can include multiple structures and add meta data called "Tags" below the "Mol Block" of the file.
For more information on SDF format see ...
A SDF tag, has the following structure:
> <TAG_NAME> ... tag content line 1 ... ... tag content line 2 ... ... tag content line 3 ... [Empty line to indicate the end of the tag]
For more information on SDF tags and how to read/write them see ...
The working group decided to use a set of tags to include the NMR data extracted from the NMR spectra in SDF files.
The labels of the NMReDATA tags all start with "NMREDATA_".
Direct link to page describing the format of the "<NMREDATA_...>" tags.