CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1    mol20887    0_1
CC(C)(C)[C@H]1CC[C@H](CC2=C([O-])C(=O)c3ccccc3C2=O)CC1    mol20887    -1_1