pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	AttenGpKa training set	0	-1	[NH3+]c1c2ccccc2nc2ccc(C(=O)[O-])cc12,Nc1c2ccccc2[nH+]c2ccc(C(=O)[O-])cc12	Nc1c2ccccc2nc2ccc(C(=O)[O-])cc12	mol26685	Nc1c2ccccc2nc2ccc(C(=O)O)cc12
3.0	AttenGpKa training set	1	0	Nc1c2ccccc2[nH+]c2ccc(C(=O)O)cc12,[NH3+]c1c2ccccc2nc2ccc(C(=O)O)cc12	[NH3+]c1c2ccccc2nc2ccc(C(=O)[O-])cc12,Nc1c2ccccc2[nH+]c2ccc(C(=O)[O-])cc12	mol26685	Nc1c2ccccc2nc2ccc(C(=O)O)cc12