pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Hunt	1	0	N#Cc1ccc(C(F)(F)F)nc1O[C@H](CC[NH3+])c1ccno1	N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1	mol528	N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1