pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.6	AttenGpKa training set	0	-1	NCCc1c[nH]c2ccccc12	NCCc1c[n-]c2ccccc12	mol2558	NCCc1c[nH]c2ccccc12
10.2	IUPAC digitized pKa	1	0	[NH3+]CCc1c[nH]c2ccccc12	NCCc1c[nH]c2ccccc12	mol2558	NCCc1c[nH]c2ccccc12