pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	AttenGpKa training set	1	0	[NH3+]Cc1sc2ccccc2c1Br	NCc1sc2ccccc2c1Br	mol29641	NCc1sc2ccccc2c1Br