pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.9	OCHEM	1	0	[NH3+]c1cccc2c1nnn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,Nc1cccc2c1n[nH+]n2[C@@H]1C[C@@H](O)[C@@H](CO)O1,Nc1cccc2c1[nH+]nn2[C@@H]1C[C@@H](O)[C@@H](CO)O1	Nc1cccc2c1nnn2[C@@H]1C[C@@H](O)[C@@H](CO)O1	mol32594	Nc1cccc2c1nnn2C1CC(O)C(CO)O1