pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Hunt	1	0	N#Cc1cc(F)c(Cl)cc1O[C@H](CC[NH3+])c1ccccc1	N#Cc1cc(F)c(Cl)cc1O[C@H](CCN)c1ccccc1	mol527	N#Cc1cc(F)c(Cl)cc1O[C@H](CCN)c1ccccc1
