0  B5R0.3  CCC(C)C=O T5090 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|3,0,0]=4
3  B3R0.1  NCCO T4910 [2,0,0,0,0,0|2,0,0]=4
4  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3
5  B5R0.1  CC(C)=CCO T4747 [1,1,0,0,0,0|1,0,1]=4
6  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|2,0,0]=4
7  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|1,0,0]=3
8  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|2,0,0]=4