0  B9R0.1  CCC(=O)OCCC(C)C 717 [1,0,0,0,0,0|0,0,0]=1
1  B8R0.28  CC(C)CCOC(=O)C 736 [2,0,0,0,0,0|0,0,0]=2
2  B8R0.9  CCC(=O)OCC(C)C 728 [1,0,0,0,1,0|0,0,0]=2