0  B4R0.2  CCCCO T7023 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.2  NCCCN T4782 [0,0,0,0,0,0|3,0,0]=3
2  B3R0.1  NCCO T4910 [1,0,0,0,0,0|1,0,0]=2
3  B3R0.1  NCCS T1080 [1,0,0,0,0,0|1,0,0]=2
4  B5R0.1  CC(C)=CCO T4747 [0,1,0,0,0,0|1,0,1]=3
5  B5R0.1  CCCC(=O)O T3943 [0,1,0,0,0,0|1,0,1]=3
6  B5R0.1  NCCC(=O)O T0627 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.2  NCCCCN T4865 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.3  CCC(C)C=O T5090 [0,1,0,0,0,0|1,0,2]=4
9  B5R0.3  O=CC(O)CO T4918 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.3  OCC(O)CO BBP03456 [0,1,0,0,0,0|2,0,0]=3
11  B5R0.3  OCC(O)CO T4776 [0,1,0,0,0,0|2,0,0]=3
12  B4R0.1  CCC(=O)O T4908 [1,1,0,0,0,0|0,0,1]=3
13  B4R0.1  NCC(=O)O T2O2728 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.2  CC(O)CC(=O)O T4947 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.4  CCCCC(=O)O T4792 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.4  NCCCC(=O)O T0508 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.6  NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.6  OCCNCCO T4796 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.6  OCCSCCO T0329 [0,2,0,0,0,0|0,0,0]=2
21  B6R1.2  O=C1CCCC1 T4800 [0,1,0,1,0,0|1,0,1]=4