pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.72	AttenGpKa training set	0	-1	Cc1cnc2c(O)nc(-c3ccccc3)nc2n1	Cc1cnc2c([O-])nc(-c3ccccc3)nc2n1	mol26296	Cc1cnc2c(O)nc(-c3ccccc3)nc2n1