pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	AttenGpKa training set	1	0	[NH3+]CC[C@@H]1C[C@@]1(F)c1ccccc1	NCC[C@@H]1C[C@@]1(F)c1ccccc1	mol24594	NCCC1CC1(F)c1ccccc1