0  B7R0.4  COCCCC(=O)O 1781 [1,0,0,0,0,0|1,0,1]=3
1  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,0,0,0,1,0|1,0,2]=4
2  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,0,0,0,1,0|1,0,2]=4