pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Novartis	1	0	CC(C)(C)Cn1c(CN2C(=O)CC3(CC[NH2+]CC3)C2=O)cc2cnc(C#N)nc21	CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(C#N)nc21	mol2785	CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(C#N)nc21