pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	AttenGpKa training set	1	0	[NH3+]c1c2ccccc2nc2cc([N+](=O)[O-])ccc12,Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc12	Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12	mol26690	Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12