Added alternative nitro and nitrate SMARTS

loftytopping / UManSysProp_public

Source code for predictive techniques provided in the UManSysProp facility.

GNU General Public License v3.0

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Closed PetrocShelley closed 3 years ago

PetrocShelley commented 3 years ago

Added alternative nitro and nitrate SMARTS to Nannoolal, Stein and Brown, and Joback and Reid boiling points