pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	1	0	CC(C)(C)CC[NH+]1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1	CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1	mol20502	CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1