0  B7R0.1  CCCNCCNC 024573 [1,0,0,0,0,0|2,0,0]=3
1  B7R0.1  CNCCCCCO 103536 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.1  COCCNCCN 104917 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.1  NCCCCCCN 098831 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.3  CCCCC(N)CC 214311 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.3  CCN(C)CCCO 310482 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.4  CCCCOC(C)=O 101599 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.4  COCCCC(=O)O 234024 [1,0,0,0,0,0|2,0,1]=4
8  B9R0.46  CCCCSCC(=O)OC 098267 [0,1,0,0,0,0|1,0,2]=4
9  B9R1.11  CC(CN)N1CCCC1 059164 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.17  NCCNCC1CCC1 104787 [0,0,0,1,0,0|3,0,0]=4
11  B6R0.6  CCOCCNC 104271 [2,0,0,0,0,0|2,0,0]=4
12  B8R0.4  CCCCCNCCN 104769 [1,1,0,0,0,0|1,0,0]=3
13  B8R0.4  COCCCNCCN 104817 [1,1,0,0,0,0|2,0,0]=4
14  B8R0.7  CC(C)CCNCCN 104881 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.19  CCC(C)CC(N)CC 214313 [1,1,0,0,0,0|1,0,0]=3
16  B10R0.1  CCOC(=O)CCCCCI 103089 [0,2,0,0,0,0|0,0,2]=4
17  B8R1.5  N[C@@H]1CCCC[C@@H]1O 093768 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.8  CCN[C@H]1CCNC1 046812 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.8  CNCC1CCCC1 104275 [1,0,0,1,0,0|1,0,0]=3
20  B8R1.3  CC1CCN(C)CC1 032558 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.4  CC1CCCC(C)[NH2+]1 031072 [1,0,0,1,0,0|1,0,0]=3
22  B8R1.6  CCCN1CC(O)C1 102939 [1,0,0,1,0,0|1,0,0]=3
23  B8R1.72  CC1(C)CCCNC1 044592 [1,0,0,1,0,0|2,0,0]=4
24  B10R1.13  CC1CCN(C(C)C)CC1 366041 [0,1,0,1,0,0|2,0,0]=4
25  B10R1.15  C=CC(O)C1CCCCC1 104539 [0,1,0,1,0,0|0,0,2]=4
26  B10R1.15  CC(CN)N1CCCCC1 042357 [0,1,0,1,0,0|2,0,0]=4
27  B10R1.26  CCC1CCC(F)(F)CC1 069996 [0,1,0,1,0,0|1,0,0]=3
28  B10R1.2  CCC1CCCC(C)N1C 032676 [0,1,0,1,0,0|1,0,0]=3