CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O    mol8598    0_1
CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]    mol8598    0_2
CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)O    mol8598    1_1
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)[O-]    mol8598    -1_1