pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Hunt	1	0	[NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1	NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1	mol521	NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1