It is listed as "cyclodecanamine" but the compound is really "cyclododecanamine".
This should have no functional importance for anyone (as the compound name is not used for anything) UNLESS someone parsed THIS text file and used the compound names for generating inputs, which hopefully they wouldn't do since input files were provided.
davidlmobley
commented
6 years ago
Due to human error in propagating chemical names from the provided ChemDraw file from Isaacs into the SMILES file used in generating all of the inputs, there is an incorrect chemical name here: https://github.com/MobleyLab/SAMPL6/blob/master/host_guest/Isaacs_SAMPL6_guests.smi#L9
It is listed as "cyclodecanamine" but the compound is really "cyclododecanamine".
This should have no functional importance for anyone (as the compound name is not used for anything) UNLESS someone parsed THIS text file and used the compound names for generating inputs, which hopefully they wouldn't do since input files were provided.
I'll do a PR to resolve.