pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	COc1cc([NH+]2C[C@H]3CN(CCO)C[C@@H](C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,COc1cc(N2C[C@@H]3C[NH+](CCO)C[C@H](C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	COc1cc(N2C[C@H]3CN(CCO)C[C@@H](C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	mol20482	COc1cc(N2CC3CN(CCO)CC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1