CC1(C)S[C@@H]2[C@H](NC(=O)C3([NH3+])CCCCC3)C(=O)N2[C@H]1C(=O)[O-]    mol31793    0_1
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O    mol31793    0_2
CC1(C)S[C@@H]2[C@H](NC(=O)C3([NH3+])CCCCC3)C(=O)N2[C@H]1C(=O)O    mol31793    1_1
CC1(C)S[C@@H]2[C@H](NC(=[OH+])C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O    mol31793    1_2
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=[OH+]    mol31793    1_3
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=[OH+])N2[C@H]1C(=O)O    mol31793    1_4