pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	euroSAMPL1	0	-1	CC(C)(C)C(=O)N1CC[NH+](c2ccc(C(=O)[O-])cc2)CC1,CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1	CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)CC1	euroSAMPL-09	CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1