pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84000015258789	QSARToolbox	1	0	C[NH+]1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	CN1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol37620	CN1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21