pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	Organic Oxygen Acids and Nitrogen Bases	2	1	CC(=[NH+]C#N)N(C)Cc1ccc(Cl)[nH+]c1	CC(=[NH+]C#N)N(C)Cc1ccc(Cl)nc1	mol21841	CC(=NC#N)N(C)Cc1ccc(Cl)nc1