pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	1	0	CC(C)C[NH+](C[C@H](C)O)C[C@H](C)O	CC(C)CN(C[C@H](C)O)C[C@H](C)O	mol3169	CC(C)CN(CC(C)O)CC(C)O
8.8000002	OCHEM	1	0	CC(C)C[NH+](C[C@H](C)O)C[C@H](C)O	CC(C)CN(C[C@H](C)O)C[C@H](C)O	mol3169	CC(C)CN(CC(C)O)CC(C)O