0  B7R0.4  CCCCCC(C)N T0359 [1,0,0,0,0,0|1,0,1]=3
1  B9R0.55  CC(=O)NCCCC(=O)O T4728 [0,1,0,0,0,0|2,0,1]=4
2  B9R0.55  CN(C)CCCSC(=N)N T22724 [0,1,0,0,0,0|3,0,0]=4
3  B9R0.55  O=C(O)CCCCC(=O)O T2228 [0,1,0,0,0,0|2,0,1]=4
4  B9R0.55  O=C(O)CCCCC(=O)O T7146 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.6  COCCCCO T7022 [2,0,0,0,0,0|1,0,1]=4
6  B6R0.6  NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4
7  B8R0.4  CCCCCCCCO T10024 [1,1,0,0,0,0|0,0,2]=4
8  B8R0.4  NCCCCCCCN T7998 [1,1,0,0,0,0|1,0,1]=4
9  B8R0.6  CCCCCC(O)CC TN1267 [1,1,0,0,0,0|1,0,1]=4
10  B8R0.28  CC(C)CCCC(C)N T0043 [1,1,0,0,0,0|0,0,1]=3
11  B8R0.28  CC(C)CCCC(C)N T22389 [1,1,0,0,0,0|0,0,1]=3
12  B10R0.3  CC(C)=CCCC(C)CC=O T8061 [0,2,0,0,0,0|0,0,1]=3
13  B10R0.3  CC(C)=CCC[C@H](C)CC=O T8013 [0,2,0,0,0,0|0,0,1]=3
14  B10R0.97  CN(C)CCCCSC(=N)N T23367 [0,2,0,0,0,0|2,0,0]=4
15  B10R0.96  CC(C)CC(=O)NCC(=O)O T5245 [0,2,0,0,0,0|1,0,1]=4
16  B10R0.15  C[N+](C)(C)CCCCC(=O)[O-] T19274 [0,2,0,0,0,0|1,0,0]=3
17  B8R1.11  CCN1CCCC1=O T13823 [1,0,0,1,0,0|1,0,0]=3
18  B8R1.4  CC1CCCC(C)N1 T1007 [1,0,0,1,0,0|1,0,1]=4
19  B10R1.13  C=C1C=CC(C(C)C)CC1 T5621 [0,1,0,1,0,0|1,0,1]=4
20  B10R1.149  CCC(C)N1CCCC1=O T3114 [0,1,0,1,0,0|1,0,0]=3
21  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,1,0,1,0,0|1,0,0]=3
22  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)[O-] T23398 [0,1,0,1,0,0|1,0,0]=3
23  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)[O-] T5769 [0,1,0,1,0,0|1,0,0]=3
24  B10R2.71  O=C1CC2CCC(C1)N2 T1702 [0,0,0,2,0,0|1,0,0]=3