pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.88000011444092	QSARToolbox	0	-1	C[C@H](N/C(=C\[N+](=O)[O-])Nc1cccc(C#N)c1)C(C)(C)C	C[C@H]([N-]/C(=C\[N+](=O)[O-])Nc1cccc(C#N)c1)C(C)(C)C,C[C@H](N/C(=C\[N+](=O)[O-])[N-]c1cccc(C#N)c1)C(C)(C)C	mol34811	CC(N/C(=C\[N+](=O)[O-])Nc1cccc(C#N)c1)C(C)(C)C