pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	0	-1	C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	C[N+](C)(C)[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]	mol29371	C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]
1.5	QSARToolbox	1	0	C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)O	C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	mol29371	C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]