pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09999990463257	QSARToolbox	0	-1	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1CO	CC1(C)S[C@@H]2[C@H](NC(=O)[CH-]Oc3ccccc3)C(=O)N2[C@H]1CO,CC1(C)S[C@@H]2[C@H]([N-]C(=O)COc3ccccc3)C(=O)N2[C@H]1CO	mol37836	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1CO