pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.468	AttenGpKa training set	0	-1	Nc1cccc2c(=O)[nH][nH]c(=O)c12	Nc1cccc2c(=O)[n-][nH]c(=O)c12,Nc1cccc2c(=O)[nH][n-]c(=O)c12	mol24789	Nc1cccc2c(=O)[nH][nH]c(=O)c12
2.07	AttenGpKa training set	1	0	[NH3+]c1cccc2c(=O)[nH][nH]c(=O)c12	Nc1cccc2c(=O)[nH][nH]c(=O)c12	mol24789	Nc1cccc2c(=O)[nH][nH]c(=O)c12
14.7	AttenGpKa training set	-1	-2	Nc1cccc2c(=O)[n-][nH]c(=O)c12,Nc1cccc2c(=O)[nH][n-]c(=O)c12	Nc1cccc2c(=O)[n-][n-]c(=O)c12	mol24789	Nc1cccc2c(=O)[nH][nH]c(=O)c12