pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	AttenGpKa training set	1	0	Cc1ccc([NH2+]CCCO)cc1	Cc1ccc(NCCCO)cc1	mol23781	Cc1ccc(NCCCO)cc1