pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.54	AttenGpKa training set	0	-1	CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1	CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[n-]1,CC(=O)[N-]c1nc2c(ncn2COCCO)c(=O)[nH]1	mol29706	CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1