CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O    mol29872    0_1
CC1(C)S[C@@H]2[C@H](/[NH+]=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)[O-]    mol29872    0_2
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(O)=[OH+]    mol29872    1_1
CC1(C)S[C@@H]2[C@H](/[NH+]=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O    mol29872    1_2
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=[OH+])N2[C@H]1C(=O)O    mol29872    1_3
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)[O-]    mol29872    -1_1