pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	0	-1	N#CC(O)(c1ccccc1)c1ccccc1	N#CC([O-])(c1ccccc1)c1ccccc1	mol31231	N#CC(O)(c1ccccc1)c1ccccc1