CCC[C@@H](C)[C@]1(CC)C(=O)N=C(S)N=C1O    mol7438    0_1
CCC[C@@H](C)[C@]1(CC)C(=O)[NH+]=C(S)N=C1[O-]    mol7438    0_2
CCC[C@@H](C)[C@]1(CC)C(=O)N=C([S-])[NH+]=C1O    mol7438    0_3
CCC[C@@H](C)[C@]1(CC)C(=O)[NH+]=C(S)N=C1O    mol7438    1_1
CCC[C@@H](C)[C@]1(CC)C(=O)N=C(S)[NH+]=C1O    mol7438    1_2
CCC[C@@H](C)[C@]1(CC)C(=O)N=C([S-])N=C1O    mol7438    -1_1
CCC[C@@H](C)[C@]1(CC)C(=O)N=C(S)N=C1[O-]    mol7438    -1_2
CCC[C@@H](C)[C@]1(CC)C(=O)N=C([S-])N=C1[O-]    mol7438    -2_1