0  B5R0.5  CC(=O)C(C)=O T4774 [0,0,0,0,0,0|0,2,2]=4
1  B5R0.5  CC(C)C(=O)O T4769 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  C[C@@H](N)C(=O)O T4811 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [0,0,0,0,0,0|0,2,0]=2
4  B5R0.5  C[C@H](N)C(=O)O TJO2729 [0,0,0,0,0,0|2,1,1]=4
5  B5R0.5  C[C@H](O)C(=O)O T4845 [0,0,0,0,0,0|1,2,1]=4
6  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|1,1,1]=4
7  B3R0.1  NCCO T4910 [2,0,0,0,0,0|1,1,0]=4
8  B3R0.1  NCCS T1080 [2,0,0,0,0,0|1,0,0]=3
9  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,1,0]=3
11  B5R0.3  OCC(O)CO BBP03456 [1,1,0,0,0,0|0,2,0]=4
12  B5R0.3  OCC(O)CO T4776 [1,1,0,0,0,0|0,2,0]=4
13  B7R0.10  OC[C@H](O)[C@H](O)CO BBP01568 [0,2,0,0,0,0|0,2,0]=4
14  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,2,0,0,0,0|0,2,0]=4