0  B5R0.3  CCC(C)C=O T5090 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  O=CC(O)CO T4918 [0,0,0,0,0,0|0,0,2]=2
2  B5R0.3  OCC(O)CO BBP03456 [0,0,0,0,0,0|0,0,0]=0
3  B5R0.3  OCC(O)CO T4776 [0,0,0,0,0,0|0,0,0]=0
4  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|1,0,2]=4
5  B4R0.1  NCC(=O)O T2O2728 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|1,0,0]=2
7  B4R0.2  NCCCN T4782 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.3  CC(CN)C(=O)O T4887 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.3  CCC(O)C(=O)[O-] T4738 [0,1,0,0,0,0|1,0,2]=4
10  B6R0.3  NCC(N)C(=O)O T4755 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [0,1,0,0,0,0|1,0,1]=3
12  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [0,1,0,0,0,0|1,1,1]=4
13  B3R0.1  NCCO T4910 [2,0,0,0,0,0|1,0,0]=3
14  B3R0.1  NCCS T1080 [2,0,0,0,0,0|1,1,0]=4
15  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CC(C)=CCO T4747 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|0,0,0]=2
20  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|0,0,1]=3
22  B5R0.2  NCCCCN T4865 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.10  OC[C@H](O)[C@H](O)CO BBP01568 [0,2,0,0,0,0|0,0,0]=2
25  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,2,0,0,0,0|0,0,0]=2
26  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,2,0,0,0,0|1,0,1]=4