0  B11R0.3  C=CCCCCCCCCCO S6225 [0,0,0,0,0,0|0,0,0]=0
1  B11R0.3  CCCCCCCCCCCO S9450 [0,0,0,0,0,0|0,0,2]=2
2  B10R0.71  CCCCCCCCCC=O S5376 [1,0,0,0,0,0|1,0,0]=2
3  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,1,0,0,0,0|1,0,2]=4
4  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,1,0,0,0,0|1,0,2]=4
5  B12R0.234  C(CCCCC(=O)O)CCCCO S5370 [0,1,0,0,0,0|1,0,0]=2
6  B12R0.234  C=CCCCCCCCCC(=O)O S9452 [0,1,0,0,0,0|0,0,1]=2
7  B12R0.234  C=CCCCCCCCCC(=O)[O-] S3979 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.234  CCCCCCCCCCC(=O)O S9454 [0,1,0,0,0,0|2,0,0]=3
9  B11R0.148  CCCCCCCCCC(=O)C S3762 [1,1,0,0,0,0|0,0,1]=3
10  B11R0.148  CCCCCCCCCC(C)O S9453 [1,1,0,0,0,0|0,0,1]=3
11  B13R0.54  CCCCCCCCCCCC(=O)O S4726 [0,2,0,0,0,0|0,0,2]=4
12  B13R0.54  CCCCCCCCCCCC(=O)O S4726 [0,2,0,0,0,0|0,0,2]=4
13  B13R0.179  C(CCCCC(=O)O)CCCC(=O)O S5732 [0,2,0,0,0,0|1,0,1]=4