6 Commits

Author	SHA1	Message	Date
Ian Bell	a72baafc77	Add fluid files with superancillary data (#2503) ... * Add fluid files with superancillary data * Delete the large generated z-compressed header	2025-03-22 21:33:18 -04:00
Ian Bell	02d2da7971	Tidy up whitespace according to python 3 JSON module	2019-01-27 15:55:32 -07:00
Chris Neal	e8162946a0	Added standard InChi key & string for R40 ... Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6327#section=Names-and-Identifiers	2018-05-11 13:15:59 -04:00
Ian Bell	9bd37e7d64	Add InChI keys and string, SMILES, etc; closes #1069 ... See also #115	2016-07-27 19:42:31 -06:00
Ian Bell	b829da57e1	Finalize	2016-01-04 20:57:31 -07:00
Ian Bell	2d2edd1221	First cut at R40	2016-01-04 20:47:09 -07:00