pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	AttenGpKa training set	0	-1	CC(=O)CCn1[nH]c(=O)c2ccccc2c1=O	CC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	mol24861	CC(=O)CCn1[nH]c(=O)c2ccccc2c1=O