pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Datawarrior	1	0	CCCCCCCCCCCC[NH+](CCO)C[C@@H](C)O	CCCCCCCCCCCCN(CCO)C[C@@H](C)O	mol14775	CCCCCCCCCCCCN(CCO)CC(C)O