pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	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	mol15771	C#C[C@]1(O)C[C@H](C)N(C)[C@@H]2CCCC[C@H]21