pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.24	AttenGpKa training set	1	0	OCC[NH+]=C(c1ccccc1)c1ccccc1	OCCN=C(c1ccccc1)c1ccccc1	mol27966	OCCN=C(c1ccccc1)c1ccccc1