pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Baltruschat ChEMBL	0	-1	Clc1ccc(CN(Cc2nnn[nH]2)c2ccccc2)c(Cl)c1	Clc1ccc(CN(Cc2nnn[n-]2)c2ccccc2)c(Cl)c1	mol21438	Clc1ccc(CN(Cc2nnn[nH]2)c2ccccc2)c(Cl)c1