0  B8R0.9  COC(=O)CCC(=O)O 5776 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.6  C(CC(=O)O)C(=O)O 5823 [2,0,0,0,0,0|1,1,0]=4
2  B7R0.6  CC(=O)CCC(=O)O 6824 [2,0,0,0,0,0|1,0,1]=4
3  B7R0.2  C(C(CN)O)C(=O)O 8603 [1,0,0,0,1,0|1,0,1]=4