pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28	AttenGpKa training set	0	-1	N#Cc1ccc(C(=O)O)cc1Br	N#Cc1ccc(C(=O)[O-])cc1Br	mol22993	N#Cc1ccc(C(=O)O)cc1Br