pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23000001907349	QSARToolbox	0	-1	Cc1ccc(-c2nnnn2CC(=O)O)cc1	Cc1ccc(-c2nnnn2CC(=O)[O-])cc1	mol25986	Cc1ccc(-c2nnnn2CC(=O)O)cc1
-2.95	AttenGpKa training set	2	1	Cc1ccc(-c2[nH+][nH+][nH+]n2CC(=O)[O-])cc1	Cc1ccc(-c2[nH+]nnn2CC(=O)O)cc1,Cc1ccc(-c2n[nH+]nn2CC(=O)O)cc1,Cc1ccc(-c2nn[nH+]n2CC(=O)O)cc1	mol25986	Cc1ccc(-c2nnnn2CC(=O)O)cc1