pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	0	-1	Cc1cccc(-c2nnn(CC(=O)O)n2)c1	Cc1cccc(-c2nnn(CC(=O)[O-])n2)c1	mol25985	Cc1cccc(-c2nnn(CC(=O)O)n2)c1
-4.05	AttenGpKa training set	1	0	Cc1cccc(-c2nn(CC(=O)O)n[nH+]2)c1,Cc1cccc(-c2n[nH+]n(CC(=O)O)n2)c1,Cc1cccc(-c2nnn(CC(=O)O)[nH+]2)c1	Cc1cccc(-c2nnn(CC(=O)O)n2)c1	mol25985	Cc1cccc(-c2nnn(CC(=O)O)n2)c1