pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	AttenGpKa training set	1	0	Cc1cnc2cnc(-c3ccccc3)[nH+]c2n1,Cc1c[nH+]c2cnc(-c3ccccc3)nc2n1,Cc1cnc2c[nH+]c(-c3ccccc3)nc2n1,Cc1cnc2cnc(-c3ccccc3)nc2[nH+]1	Cc1cnc2cnc(-c3ccccc3)nc2n1	mol26285	Cc1cnc2cnc(-c3ccccc3)nc2n1