pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Baltruschat ChEMBL	0	-1	COc1ccc(Cn2cc(-c3nnn[nH]3)c(=O)c3c(F)ccc(F)c32)cc1	COc1ccc(Cn2cc(-c3nnn[n-]3)c(=O)c3c(F)ccc(F)c32)cc1	mol17662	COc1ccc(Cn2cc(-c3nnn[nH]3)c(=O)c3c(F)ccc(F)c32)cc1