pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Novartis	0	-1	CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1	CC(=O)Nc1cccc(Nc2nc([N-]c3ccccc3)n3ncc(C#N)c3n2)c1,CC(=O)Nc1cccc([N-]c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1	mol2780	CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1