pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	0	-1	CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)[O-]	CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)[O-]	mol34923	CC1(C)SC(C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)O