pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.33	Baltruschat ChEMBL	1	0	[NH2+]=CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	N=CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	mol18929	N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2