pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	1	0	C[NH+](C)C[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2	CN(C)C[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2	mol13802	CN(C)C[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2