pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.74	AttenGpKa training set	1	0	CC[C@@H]1C(=O)OC[C@@H]1Cc1c[nH]c[n+]1C	[CH2-][n+]1c[nH]cc1C[C@H]1COC(=O)[C@H]1CC,CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n-]c[n+]1C	mol25520	CC[C@@H]1C(=O)OC[C@@H]1Cc1c[nH]c[n+]1C