CCC=CCC(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12    mol32332    0_1
CCC=CCC(=O)N[C@H]1C(=O)N2[C@@H](C(O)=[OH+])C(C)(C)S[C@@H]12    mol32332    1_1
CCC=CCC(=[OH+])N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12    mol32332    1_2
CCC=CCC(=O)N[C@H]1C(=[OH+])N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12    mol32332    1_3