pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	2	1	CC(C)[NH+](Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1	CC(C)[NH+](Cc1cnc[nH]1)c1ccc(Cl)cc1,CC(C)N(Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1	mol16194	CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1