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# Header Column Structure Default Value Required Min Length Max Length
1 database_identifier single column False - -
2 chemical_formula single column False - -
3 smiles single column False - -
4 inchi single column False - -
5 metabolite_identification single column True 2 -
6 chemical_shift single column False - -
7 multiplicity single column False - -
8 taxid single column False - -
9 species single column False - -
10 database single column False - -
11 database_version single column False - -
12 reliability single column False - -
13 uri single column False - -
14 search_engine single column False - -
15 search_engine_score single column False - -
16 smallmolecule_abundance_sub single column False - -
17 smallmolecule_abundance_stdev_sub single column False - -
18 smallmolecule_abundance_std_error_sub single column False - -