pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	AttenGpKa training set	1	0	Nc1ccc2[nH+]c(-c3ccccc3)[nH]c2c1,[NH3+]c1ccc2nc(-c3ccccc3)[nH]c2c1	Nc1ccc2nc(-c3ccccc3)[nH]c2c1	mol23904	Nc1ccc2nc(-c3ccccc3)[nH]c2c1
3.0	AttenGpKa training set	2	1	[NH3+]c1ccc2[nH+]c(-c3ccccc3)[nH]c2c1	Nc1ccc2[nH+]c(-c3ccccc3)[nH]c2c1,[NH3+]c1ccc2nc(-c3ccccc3)[nH]c2c1	mol23904	Nc1ccc2nc(-c3ccccc3)[nH]c2c1