pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.63	Baltruschat ChEMBL	1	0	COc1ccc([C@](CC[C@H]([NH3+])C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1	COc1ccc([C@](CC[C@H](N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1	mol19725	COc1ccc(C(CCC(N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1