pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	AttenGpKa training set	1	0	C[NH+]1[C@@H](CO)CC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	CN1[C@@H](CO)CC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol29679	CN1C(CO)CC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21