pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	AttenGpKa training set	0	-1	Nc1c(S(=O)(=O)O)ccc2c(O)ccc(/N=N\c3ccccc3)c12	Nc1c(S(=O)(=O)[O-])ccc2c(O)ccc(/N=N\c3ccccc3)c12	mol30951	Nc1c(S(=O)(=O)O)ccc2c(O)ccc(/N=N\c3ccccc3)c12
9.7	AttenGpKa training set	-1	-2	Nc1c(S(=O)(=O)[O-])ccc2c(O)ccc(/N=N\c3ccccc3)c12	Nc1c(S(=O)(=O)[O-])ccc2c([O-])ccc(/N=N\c3ccccc3)c12	mol30951	Nc1c(S(=O)(=O)O)ccc2c(O)ccc(/N=N\c3ccccc3)c12