pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.67	AttenGpKa training set	0	-1	Cc1nc2c(=O)[nH]c(=O)[nH]c2n(Cc2ccccc2)c1=O	Cc1nc2c(=O)[nH]c(=O)[n-]c2n(Cc2ccccc2)c1=O,Cc1nc2c(=O)[n-]c(=O)[nH]c2n(Cc2ccccc2)c1=O	mol26335	Cc1nc2c(=O)[nH]c(=O)[nH]c2n(Cc2ccccc2)c1=O
13.1	AttenGpKa training set	-1	-2	Cc1nc2c(=O)[nH]c(=O)[n-]c2n(Cc2ccccc2)c1=O,Cc1nc2c(=O)[n-]c(=O)[nH]c2n(Cc2ccccc2)c1=O	Cc1nc2c(=O)[n-]c(=O)[n-]c2n(Cc2ccccc2)c1=O	mol26335	Cc1nc2c(=O)[nH]c(=O)[nH]c2n(Cc2ccccc2)c1=O