pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	AttenGpKa training set	1	0	CCOC(=O)C[C@@H](C(=O)OCC)n1cc[nH+]c1C	CCOC(=O)C[C@@H](C(=O)OCC)n1ccnc1C	mol25583	CCOC(=O)CC(C(=O)OCC)n1ccnc1C