pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.84999990463257	QSARToolbox	1	0	CC[NH+](CC)C[C@H](C)C(C#N)(c1ccccc1)c1ccccc1	CCN(CC)C[C@H](C)C(C#N)(c1ccccc1)c1ccccc1	mol37674	CCN(CC)CC(C)C(C#N)(c1ccccc1)c1ccccc1
8.15999984741211	QSARToolbox	1	0	CC[NH+](CC)C[C@H](C)C(C#N)(c1ccccc1)c1ccccc1	CCN(CC)C[C@H](C)C(C#N)(c1ccccc1)c1ccccc1	mol37674	CCN(CC)CC(C)C(C#N)(c1ccccc1)c1ccccc1