0  B8R0.3  C=C(CBr)C(=O)OCC 1134 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.3  C=C(CO)C(=O)OCC 964 [0,0,0,0,0,0|1,0,2]=3
2  B7R0.10  C=C(CBr)C(=O)OC 1082 [1,0,0,0,0,0|1,0,2]=4
3  B9R0.34  C=CC(O)CC(=O)OCC 3752 [0,0,0,0,0,1|1,0,2]=4
4  B6R0.3  C#CC(=O)C(C)C 1200 [2,0,0,0,0,0|0,0,2]=4
5  B6R0.3  CC(CO)C(=O)[O-] 4034 [2,0,0,0,0,0|1,0,1]=4
6  B6R0.3  CC[C@H](O)C(=O)O 3680 [2,0,0,0,0,0|1,0,0]=3
7  B6R0.3  O=C(O)[C@@H](O)CO 3697 [2,0,0,0,0,0|2,0,0]=4
8  B10R1.291  CC(=O)C1(Cl)CCOC1=O 1905 [0,1,0,1,0,0|1,0,1]=4