pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.76	AttenGpKa training set	1	0	[NH3+]C[C@@H]1C[C@]1(F)c1ccccc1	NC[C@@H]1C[C@]1(F)c1ccccc1	mol24572	NCC1CC1(F)c1ccccc1