0 B8R0.27 CC(C)(O)C(O)C(=O)[O-] S0055 [0,1,0,0,0,0|0,0,3]=4 1 B7R0.2 COC(=O)C[C@@H](C)O H0102 [1,1,0,0,0,0|1,0,1]=4