0  B5R0.1  CC(CCO)O 719 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.1  CN(C)C=S 110 [1,0,0,0,0,0|1,1,0]=3
2  B4R0.2  CCOC=O 720 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.5  C[N+](C)(C)CCO 1302 [0,1,0,0,0,0|1,0,2]=4
4  B3R0.2  CC(C)O 275 [2,0,0,0,0,0|0,0,1]=3
5  B3R0.2  CS(=O)C 188 [2,0,0,0,0,0|1,0,0]=3
6  B5R0.3  CCC(C=C)O 776 [1,1,0,0,0,0|1,0,1]=4
7  B5R0.5  CC(C(=O)[O-])O 1258 [1,1,0,0,0,0|1,0,0]=3
8  B5R0.5  CC(C(=O)[O-])O 293 [1,1,0,0,0,0|1,0,0]=3
9  B5R0.2  CCCOC=O 763 [1,1,0,0,0,0|0,0,0]=2
10  B7R0.2  CCC(=O)OC(C)C 731 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [0,2,0,0,0,0|0,0,0]=2
12  B7R0.6  CC(C)COC(=O)C 721 [0,2,0,0,0,0|0,0,0]=2