pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Baltruschat ChEMBL	1	0	COc1cccc(-n2cc3nc(-c4ccc[nH+]c4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1,COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[NH+](C(C)C)C4)c(=O)c3n2)c1	COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1	mol16839	COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1