0  B6R0.6  NCCCCCN T4895 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.6  OCCNCCO T4796 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.6  OCCSCCO T0329 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.2  NCCCCN T4865 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.4  CCCCCC(=O)O T3944 [0,1,0,0,0,0|0,0,1]=2
5  B7R0.4  NCCCCC(=O)O T5089 [0,1,0,0,0,0|1,0,1]=3
6  B4R0.2  CCCCO T7023 [2,0,0,0,0,0|0,0,0]=2
7  B4R0.2  NCCCN T4782 [2,0,0,0,0,0|2,0,0]=4
8  B6R0.4  CCCCC(=O)O T4792 [1,1,0,0,0,0|0,0,1]=3
9  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,1]=4
10  B8R0.4  NCCCNCCCN T4750 [0,2,0,0,0,0|1,0,0]=3
11  B8R0.7  CCCCCCC(=O)O T3945 [0,2,0,0,0,0|0,0,0]=2
12  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,2,0,0,0,0|1,0,1]=4
13  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [0,2,0,0,0,0|0,0,1]=3
14  B8R0.8  CSCCC(N)C(=O)O TJO2742 [0,2,0,0,0,0|1,0,1]=4
15  B8R0.8  CSCC[C@H](N)C(=O)O T4844 [0,2,0,0,0,0|1,0,1]=4
16  B8R0.8  C[Se]CCC(N)C(=O)O T1658 [0,2,0,0,0,0|1,0,1]=4
17  B8R0.8  NCCC[C@@H](N)C(=O)O T0551 [0,2,0,0,0,0|1,0,1]=4
18  B8R0.8  NCCC[C@H](N)C(=O)O T0737 [0,2,0,0,0,0|1,0,1]=4
19  B8R0.8  NCCC[C@H](N)C(=O)O T2O2701 [0,2,0,0,0,0|1,0,1]=4
20  B6R1.2  O=C1CCCC1 T4800 [1,0,0,1,0,0|0,0,2]=4
21  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|0,0,1]=3
22  B8R1.3  OC1COC(O)CO1 T4748 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [0,1,0,1,0,0|1,0,1]=4
24  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|1,0,1]=4