pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.48	AttenGpKa training set	0	-1	C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O	C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)[N-]C1=O	mol11564	CC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O