0  B6R0.1  C[C@@H](CO)CCO 4679 [0,0,0,0,0,0|2,1,1]=4
1  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,1,0,0,0,0|1,1,1]=4
2  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,1,0,0,0,0|1,1,1]=4