0  B8R0.5  CCOC(=O)CC(=O)O T4773 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.2  COC(=O)CC(C)=O T4851 [2,0,0,0,0,0|1,0,1]=4
2  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [1,0,0,1,0,0|1,0,0]=3
3  B11R1.166  CC(C)=C1CC[C@@H](C)CC1=O TCS0102 [0,1,0,1,0,0|1,0,1]=4