pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17	Datawarrior	0	-1	C[C@@H](Br)[N+](=O)[O-]	C[C-](Br)[N+](=O)[O-]	mol15895	CC(Br)[N+](=O)[O-]
7.1700001	OCHEM	0	-1	C[C@@H](Br)[N+](=O)[O-]	C[C-](Br)[N+](=O)[O-]	mol15895	CC(Br)[N+](=O)[O-]
7.3	AttenGpKa training set	0	-1	C[C@@H](Br)[N+](=O)[O-]	C[C-](Br)[N+](=O)[O-]	mol15895	CC(Br)[N+](=O)[O-]