pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.94000005722046	QSARToolbox	2	1	C[C@@]1([NH3+])C[C@@]1(C)[NH3+]	C[C@@]1(N)C[C@@]1(C)[NH3+]	mol38303	C[C@@]1(N)C[C@@]1(C)N
