pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	1	0	[NH3+]Cc1ccc2nc3ccccc3cc2c1,NCc1ccc2[nH+]c3ccccc3cc2c1	NCc1ccc2nc3ccccc3cc2c1	mol26627	NCc1ccc2nc3ccccc3cc2c1