0  B5R0.5  CC(C(=O)[O-])O 1258 [0,0,0,0,0,0|1,2,1]=4
1  B5R0.5  CC(C(=O)[O-])O 293 [0,0,0,0,0,0|1,2,1]=4
2  B4R0.1  CC(=O)OC 753 [1,0,0,0,0,0|1,1,1]=4
3  B3R0.2  CC(C)O 275 [2,0,0,0,0,0|0,1,0]=3
4  B3R0.2  CS(=O)C 188 [2,0,0,0,0,0|1,1,0]=4
5  B5R0.1  CC(CCO)O 719 [1,1,0,0,0,0|0,1,0]=3
6  B5R0.3  CCC(C=C)O 776 [1,1,0,0,0,0|0,1,1]=4