0  B3R0.1  NCCO T4910 [0,0,0,0,0,0|1,0,0]=1
1  B3R0.1  NCCS T1080 [0,0,0,0,0,0|1,1,0]=2
2  B2R0.1  NC=O T4767 [1,0,0,0,0,0|1,0,2]=4
3  B4R0.1  CCC(=O)O T4908 [0,1,0,0,0,0|0,0,1]=2
4  B4R0.1  CNC(=N)N T4904 [0,1,0,0,0,0|2,0,1]=4
5  B4R0.1  NCC(=O)O T2O2728 [0,1,0,0,0,0|1,0,1]=3
6  B4R0.1  O=CC(=O)O T4843 [0,1,0,0,0,0|1,0,2]=4
7  B4R0.2  CCCCO T7023 [0,1,0,0,0,0|0,0,0]=1
8  B4R0.2  NCCCN T4782 [0,1,0,0,0,0|1,0,0]=2
9  B3R0.2  CC(N)=O BBP01223 [1,1,0,0,0,0|0,0,2]=4
10  B3R0.2  CN(C)C T4827 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.1  CC(C)=CCO T4747 [0,2,0,0,0,0|0,0,1]=3
12  B5R0.1  CCCC(=O)O T3943 [0,2,0,0,0,0|0,0,0]=2
13  B5R0.1  NCCC(=O)O T0627 [0,2,0,0,0,0|0,0,1]=3
14  B5R0.3  CCC(C)C=O T5090 [0,2,0,0,0,0|0,0,1]=3
15  B5R0.3  O=CC(O)CO T4918 [0,2,0,0,0,0|0,0,1]=3
16  B5R0.3  OCC(O)CO BBP03456 [0,2,0,0,0,0|0,0,0]=2
17  B5R0.3  OCC(O)CO T4776 [0,2,0,0,0,0|0,0,0]=2
18  B5R0.5  CC(=O)C(=O)O T4804 [0,2,0,0,0,0|0,0,2]=4
19  B5R0.5  CC(C)C(=O)O T4769 [0,2,0,0,0,0|0,0,1]=3
20  B5R0.5  C[C@@H](N)C(=O)O T4811 [0,2,0,0,0,0|0,0,1]=3
21  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|0,0,0]=2
22  B5R0.5  C[C@H](N)C(=O)O TJO2729 [0,2,0,0,0,0|0,0,1]=3
23  B5R0.5  C[C@H](O)C(=O)O T4845 [0,2,0,0,0,0|0,0,1]=3
24  B5R0.2  NCCCCN T4865 [0,2,0,0,0,0|1,0,0]=3