pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.99	Datawarrior	1	0	C#C[C@]1(O)C[C@@H](C)[NH+](C)[C@H]2CCCC[C@@H]21	C#C[C@]1(O)C[C@@H](C)N(C)[C@H]2CCCC[C@@H]21	mol15773	C#C[C@]1(O)C[C@@H](C)N(C)[C@H]2CCCC[C@@H]21