0  B8R0.4  CCCCCCCCO T10024 [0,0,0,0,0,0|1,0,1]=2
1  B8R0.4  NCCCCCCCN T7998 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.1  NCCCNCCS TQ0133 [1,0,0,0,0,0|3,0,0]=4
3  B9R0.2  CC(=O)NCCCCCN T5222 [0,1,0,0,0,0|2,0,1]=4
4  B9R0.2  CCCCCCCC(=O)O T3946 [0,1,0,0,0,0|1,0,0]=2
5  B9R0.2  CCCCC\C=C\C(=O)O T5261 [0,1,0,0,0,0|1,0,2]=4
6  B9R0.45  NCCCCNCCCN T4893 [0,1,0,0,0,0|2,0,1]=4
7  B9R0.45  NCCCCNCCCN T5080 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.6  COCCCCO T7022 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.6  NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.6  CCCCCC(O)CC TN1267 [1,1,0,0,0,0|0,0,1]=3
11  B8R0.7  NCCCCCC(=O)O T0881 [1,1,0,0,0,0|2,0,0]=4
12  B10R0.4  CCCCCCCCC(=O)O T3947 [0,2,0,0,0,0|0,0,1]=3
13  B10R0.4  NCCCCCCCC(=O)O T8102 [0,2,0,0,0,0|1,0,0]=3
14  B10R0.75  CCCCCCC(O)C(=O)O T7481 [0,2,0,0,0,0|1,0,0]=3
15  B10R0.91  CCCCCC(O)\C=C\C=O T10148 [0,2,0,0,0,0|0,0,1]=3
16  B10R0.71  CCCCCCCCCC=O T8086 [0,2,0,0,0,0|0,0,1]=3
17  B10R0.71  CCCCCCCCCCF T21116 [0,2,0,0,0,0|0,0,2]=4
18  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.11  CCN1CCCC1=O T13823 [1,0,0,1,0,0|2,0,0]=4
21  B10R1.21  CCCCCC1=CC=CO1 TCS0324 [0,1,0,1,0,0|0,0,2]=4
22  B10R1.149  CCC(C)N1CCCC1=O T3114 [0,1,0,1,0,0|2,0,0]=4