pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.78	Baltruschat ChEMBL	1	0	[NH2+]=CN1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	N=CN1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	mol18930	N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12