pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.24	AttenGpKa training set	0	-1	CCC(N)([NH3+])C(=O)[O-]	CCC(N)(N)C(=O)[O-]	mol29303	CCC(N)(N)C(=O)O
10.44	AttenGpKa training set	0	-1	CCC(N)([NH3+])C(=O)[O-]	CCC(N)(N)C(=O)[O-]	mol29303	CCC(N)(N)C(=O)O
1.85	AttenGpKa training set	2	1	CCC([NH3+])([NH3+])C(=O)O	CCC([NH3+])([NH3+])C(=O)[O-]	mol29303	CCC(N)(N)C(=O)O