pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.44	IUPAC digitized pKa	1	0	c1ccc(-n2ccc[nH+]2)cc1	c1ccc(-n2cccn2)cc1	mol6920	c1ccc(-n2cccn2)cc1
0.43	AttenGpKa training set	1	0	c1ccc(-n2ccc[nH+]2)cc1	c1ccc(-n2cccn2)cc1	mol6920	c1ccc(-n2cccn2)cc1