pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.460000038147	QSARToolbox	0	-1	C[C@H](NC(=N)N[N+](=O)[O-])c1ccccc1	C[C@H](NC(=N)[N-][N+](=O)[O-])c1ccccc1	mol28072	CC(NC(=N)N[N+](=O)[O-])c1ccccc1
11.46	AttenGpKa training set	0	-1	C[C@H](NC(=N)N[N+](=O)[O-])c1ccccc1	C[C@H](NC(=N)[N-][N+](=O)[O-])c1ccccc1	mol28072	CC(NC(=N)N[N+](=O)[O-])c1ccccc1