CC/C=C/CC1=N[C@@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)O)N12    mol37240    0_1
CC/C=C/CC1=[NH+][C@@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12    mol37240    0_2
CC/C=C/CC1=[NH+][C@@H](C(=O)[O-])[C@@H]2SC(C)(C)[C@H](C(=O)O)N12    mol37240    0_3
CC/C=C/CC1=N[C@@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12    mol37240    -1_1
CC/C=C/CC1=N[C@@H](C(=O)[O-])[C@@H]2SC(C)(C)[C@H](C(=O)O)N12    mol37240    -1_2
CC/C=C/CC1=[NH+][C@@H](C(=O)[O-])[C@@H]2SC(C)(C)[C@H](C(=O)[O-])N12    mol37240    -1_3