pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.94999980926514	QSARToolbox	1	0	C[NH2+]C[C@@H](CCC#N)Cc1ccccc1	CNC[C@@H](CCC#N)Cc1ccccc1	mol37682	CNCC(CCC#N)Cc1ccccc1