0  B6R0.6  CCCCCCO M29392 [1,0,0,0,0,0|3,0,0]=4
1  B8R0.5  CCOC(=O)CC(C)O M27074 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.30  CCOP(=O)(O)OCC M20691 [0,1,0,0,0,0|2,0,0]=3
3  B8R1.4  CC1CCCC(C)N1 M14714 [0,0,0,1,0,0|2,0,0]=3
4  B5R0.1  C[C@H](O)CCO M23286 [2,0,0,0,0,0|2,0,0]=4
5  B5R0.2  CCCSSC M28231 [2,0,0,0,0,0|1,1,0]=4
6  B5R0.3  CCC(C)C=O M19674 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.1  COCCOCCBr M26972 [1,1,0,0,0,0|2,0,0]=4
8  B7R0.4  CCCCCC(C)N M10956 [1,1,0,0,0,0|2,0,0]=4
9  B7R0.4  CCCCCC(C)O M28052 [1,1,0,0,0,0|2,0,0]=4
10  B7R1.3  O=C1CCCCO1 M19622 [1,0,0,1,0,0|1,0,1]=4
11  B7R1.4  CC1OCCC1=O M21390 [1,0,0,1,0,0|1,0,1]=4
12  B9R1.8  CCCC1CCCCN1 M23697 [0,1,0,1,0,0|2,0,0]=4