0  B5R0.3  CCC(C=C)O 776 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(=O)OC 753 [1,0,0,0,0,0|1,0,2]=4
2  B4R0.1  CN(C)C=S 110 [1,0,0,0,0,0|1,1,1]=4
3  B4R0.2  CCOC=O 720 [1,0,0,0,0,0|1,0,2]=4
4  B3R0.2  CC(C)O 275 [2,0,0,0,0,0|0,0,0]=2
5  B3R0.2  CS(=O)C 188 [2,0,0,0,0,0|1,0,1]=4
6  B5R0.1  CC(CCO)O 719 [1,1,0,0,0,0|0,0,0]=2
7  B5R0.5  CC(C(=O)[O-])O 1258 [1,1,0,0,0,0|1,0,1]=4
8  B5R0.5  CC(C(=O)[O-])O 293 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.2  CCCOC=O 763 [1,1,0,0,0,0|0,0,2]=4
10  B7R0.3  CCCCC(CC)O 730 [0,2,0,0,0,0|2,0,0]=4
11  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,2,0,0,0,0|1,0,1]=4