pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Datawarrior	1	0	C[C@@H](O)CN(CC[NH+]1CCOCC1)C[C@@H](C)O,C[C@@H](O)C[NH+](CCN1CCOCC1)C[C@@H](C)O	C[C@@H](O)CN(CCN1CCOCC1)C[C@@H](C)O	mol3944	CC(O)CN(CCN1CCOCC1)CC(C)O
7.9000001	OCHEM	1	0	C[C@@H](O)CN(CC[NH+]1CCOCC1)C[C@@H](C)O,C[C@@H](O)C[NH+](CCN1CCOCC1)C[C@@H](C)O	C[C@@H](O)CN(CCN1CCOCC1)C[C@@H](C)O	mol3944	CC(O)CN(CCN1CCOCC1)CC(C)O