0  B10R0.2  CCCC(=O)CC(=O)CCC 2118-1-00 [0,0,0,0,0,0|1,0,0]=1
1  B10R0.2  CCC\C(C)=C\C(=O)OCC 2323-1-36 [0,0,0,0,0,0|1,0,1]=2
2  B9R0.5  CCOC(=O)CCCC#N 4137-1-0Y [1,0,0,0,0,0|1,0,2]=4
3  B9R0.5  CCOC(=O)OCCCF 2128-3-A7 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.5  [C-]#[N+]CCCC(=O)OCC 4137-1-0Q [1,0,0,0,0,0|1,0,2]=4
5  B9R0.34  CCOC(=O)CC(O)CCl 2129-5-07 [1,0,0,0,0,0|1,0,2]=4
6  B9R0.34  CCOC(=O)CC(O)CI 2129-H-02 [1,0,0,0,0,0|1,0,2]=4
7  B11R1.201  CCOC(=O)CC1CC(O)C1 2229-1-41 [0,0,0,1,0,0|2,0,1]=4
8  B8R0.1  CCOC(=O)CCC#N 4137-1-0R [2,0,0,0,0,0|1,0,1]=4
9  B8R0.6  CCCSCC(=O)OC 6166-1-0C [2,0,0,0,0,0|1,0,0]=3
10  B8R0.6  CNCCCC(=O)OC 4133-5-00 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.5  CCCC(=O)CC(C)C 2117-1-0K [2,0,0,0,0,0|1,0,1]=4
12  B8R0.5  CCCC(N)CC(=O)O 4158-1-50 [2,0,0,0,0,0|1,0,1]=4
13  B10R0.3  C=C(C)CCCC(=O)OCC 2323-1-X7 [1,1,0,0,0,0|0,0,2]=4
14  B10R0.35  CCOC(=O)[C@H](N)[C@@H](C)CC 4157-5-0E [1,1,0,0,0,0|1,0,1]=4
15  B12R0.3  CC(C)CC(=O)CC(=O)CC(C)C 2118-1-07 [0,2,0,0,0,0|1,0,0]=3
16  B12R0.78  CCOC(=O)CC(=O)CC(F)(F)F 2129-3-41 [0,2,0,0,0,0|1,0,0]=3
17  B12R0.8  CCOC(=O)C(=NO)C(=O)OCC 4145-1-03 [0,2,0,0,0,0|1,0,1]=4
18  B10R1.11  CCOC(=O)C1CCCN1 4H58-1-7S [1,0,0,1,0,0|1,0,0]=3
19  B10R1.137  CCOC(=O)C=C1CSC1 6H23-1-0U [1,0,0,1,0,0|1,0,1]=4
20  B10R1.138  CCOC(=O)\C=C\C1CC1 2323-1-42 [1,0,0,1,0,0|0,0,1]=3
21  B10R1.27  COC(=O)C=C1CCCC1 2323-1-0X [1,0,0,1,0,0|1,0,1]=4
22  B10R1.134  COC(=O)\C=C(\C)C1CC1 2323-1-0Q [1,0,0,1,0,0|1,0,1]=4
23  B10R1.149  COC(=O)C1SCCC1=O 6H29-1-0A [1,0,0,1,0,0|1,0,0]=3
24  B12R1.313  CCOC(=O)C1CC(=O)C=C1C 2723-1-0Q [0,0,0,1,0,1|0,0,2]=4
25  B12R1.308  CCOC(=O)[C@@H]1CCCC[C@@H]1N 4258-5-22 [0,1,0,1,0,0|1,0,1]=4
26  B12R1.519  CCOC(=O)CC(=O)C1CCC1 2229-1-75 [0,1,0,1,0,0|0,0,0]=2
27  B12R2.96  O=C1CCCC12CCCC2=O 2218-1-0B [0,0,0,2,0,0|1,0,0]=3
28  B8R0.3  CCCC(Br)C(=O)OC 2123-9-0L [1,0,0,0,1,0|1,0,1]=4
29  B8R0.3  CCC[C@@H](N)C(=O)OC 4158-1-R00 [1,0,0,0,1,0|1,0,1]=4