pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	AttenGpKa training set	1	0	C[C@@H]1[NH2+]CCO[C@H]1c1ccccc1	C[C@@H]1NCCO[C@H]1c1ccccc1	mol29538	CC1NCCOC1c1ccccc1