pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	QSARToolbox	0	-1	CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)O	CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)[O-]	mol34922	CC1(C)SC(CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)O