pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	Novartis	0	-1	O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12	O=c1[nH]c2c(Cc3nn[n-]n3)c3ccccc3n2c2ccccc12	mol3023	O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12