pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Datawarrior	1	0	CCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol3243	CCCCCCN(CC(C)O)CC(C)O