pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.23	AttenGpKa training set	0	-1	CCOC(=O)Cc1nc2c(O)ncnc2nc1O	CCOC(=O)Cc1nc2c([O-])ncnc2nc1O,CCOC(=O)Cc1nc2c(O)ncnc2nc1[O-]	mol26303	CCOC(=O)Cc1nc2c(O)ncnc2nc1O
9.62	AttenGpKa training set	-1	-2	CCOC(=O)Cc1nc2c([O-])ncnc2nc1O,CCOC(=O)Cc1nc2c(O)ncnc2nc1[O-]	CCOC(=O)Cc1nc2c([O-])ncnc2nc1[O-],CCOC(=O)[CH-]c1nc2c(O)ncnc2nc1[O-],CCOC(=O)[CH-]c1nc2c([O-])ncnc2nc1O	mol26303	CCOC(=O)Cc1nc2c(O)ncnc2nc1O