pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	1	0	COc1ccc(-n2cc3nc(-c4ccccc4C)n(C[C@@H]4CCC[NH+](C(C)C)C4)c(=O)c3n2)cc1	COc1ccc(-n2cc3nc(-c4ccccc4C)n(C[C@@H]4CCCN(C(C)C)C4)c(=O)c3n2)cc1	mol16833	COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1