0  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.7  CC(C)(N)C(=O)O T4831 [0,1,0,0,0,0|2,0,0]=3
2  B6R0.7  CC(C)(O)C(=O)O T4787 [0,1,0,0,0,0|1,0,0]=2
3  B3R0.1  NCCO T4910 [2,0,0,0,0,0|1,0,1]=4
4  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,1]=4
5  B5R0.1  CC(C)=CCO T4747 [1,1,0,0,0,0|0,0,2]=4
6  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|1,0,0]=3
7  B5R0.3  O=CC(O)CO T4918 [1,1,0,0,0,0|1,0,0]=3
8  B5R0.3  OCC(O)CO BBP03456 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.3  OCC(O)CO T4776 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|2,0,0]=4
12  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|0,0,2]=4
13  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,2,0,0,0,0|0,0,1]=3
17  B7R1.19  NC1(C(=O)O)CC1 T4752 [0,1,0,1,0,0|2,0,0]=4