pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	QSARToolbox	0	-1	CC1(C)S[C@@H]2N(C(=O)Cc3ccccc3)CC(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2N(C(=O)Cc3ccccc3)CC(=O)N2[C@H]1C(=O)[O-]	mol37831	CC1(C)S[C@@H]2N(C(=O)Cc3ccccc3)CC(=O)N2[C@H]1C(=O)O