pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Hunt	0	-1	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1	mol543	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1