pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	1	0	COc1cc(N2C[C@H]3COC[C@@H](C2)[NH2+]3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	COc1cc(N2C[C@H]3COC[C@@H](C2)N3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	mol20483	COc1cc(N2CC3COCC(C2)N3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1