pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.15000009536743	QSARToolbox	1	0	Cn1nnc(-c2ccccc2)[nH+]1,Cn1nc(-c2ccccc2)n[nH+]1,Cn1n[nH+]c(-c2ccccc2)n1	Cn1nnc(-c2ccccc2)n1	mol25891	Cn1nnc(-c2ccccc2)n1
-3.27	AttenGpKa training set	1	0	Cn1nnc(-c2ccccc2)[nH+]1,Cn1nc(-c2ccccc2)n[nH+]1,Cn1n[nH+]c(-c2ccccc2)n1	Cn1nnc(-c2ccccc2)n1	mol25891	Cn1nnc(-c2ccccc2)n1