pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Novartis	1	0	COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CC[NH2+]CC4)n(CC=C(C)C)c3c2=O)c1	COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCNCC4)n(CC=C(C)C)c3c2=O)c1	mol2872	COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCNCC4)n(CC=C(C)C)c3c2=O)c1