0  B7R0.4  B(CCCCC)(O)O LS11156 [1,0,0,0,0,0|1,0,1]=3
1  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.4  CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.4  CCC\C=C\C(=O)C LS41924 [1,0,0,0,0,0|0,0,2]=3
4  B7R0.4  CCO\C=C\C(=O)O LS40208 [1,0,0,0,0,0|1,0,2]=4
5  B9R0.5  CCO\C=C\C(=O)OCC LS40219 [0,1,0,0,0,0|1,0,2]=4
6  B9R0.34  COCC(=O)CC(=O)OC LS41141 [0,1,0,0,0,0|1,0,1]=3
7  B9R0.46  CCOCCOC(=O)C=C LS41687 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.1  CCN1CCC(=O)CC1 LS21102 [0,0,0,1,0,0|2,0,0]=3
9  B9R1.1  COC1CCC(=O)CC1 LS40609 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.2  COC1=CC(=O)CCC1 LS41609 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.11  COC(=O)C1=CCCC1 LS20758 [0,0,0,1,0,0|0,0,2]=3
12  B9R1.49  CN1CCCC(=O)CC1 LS40279 [0,0,0,1,0,0|2,0,0]=3
13  B9R1.79  COC(=O)C=C1COC1 LS41144 [0,0,0,1,0,0|1,0,2]=4
14  B6R0.6  C(CCO)CCF LS40658 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.6  COCCCCCl LS00136 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.1  CCOC(=O)OC LS41158 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.1  COC(=N)CCCl LS40140 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.4  B(CCCC)(O)O LS11153 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.4  C(CC(=O)Cl)CCl LS40415 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.4  C=CCCC(=O)O LS41473 [2,0,0,0,0,0|0,0,2]=4
22  B8R0.19  COC(=O)CC(=O)CCl LS41860 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.19  COC(=O)CC(CCl)O LS40615 [1,1,0,0,0,0|1,0,0]=3
24  B8R0.19  COC(=O)C[C@@H](CCl)O LS30196 [1,1,0,0,0,0|1,0,0]=3
25  B8R0.19  COC(=O)C[C@H](CCl)O LS30198 [1,1,0,0,0,0|1,0,0]=3
26  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [1,1,0,0,0,0|1,0,1]=4
27  B8R0.28  CC(C)CCCC(C)N LS41468 [1,1,0,0,0,0|1,0,1]=4
28  B8R1.2  CC[C@@H]1COCCN1 LS30017 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.2  CC[C@H]1COCCN1 LS30018 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.3  CN1CCC(=O)CC1 LS20681 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.4  C1CNC(=O)CC1N LS20121 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.4  CN1CCNC(=O)C1 LS21189 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.7  B(C1CCCC1)(O)O LS11157 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.7  C1C=CCC1C(=O)O LS41644 [1,0,0,1,0,0|0,0,2]=4
35  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,0]=3
36  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,0]=3
37  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,0]=3
38  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,0]=3
39  B8R1.72  C[N+]1(CCCCC1)C LS40575 [1,0,0,1,0,0|2,0,0]=4
40  B10R1.29  CCCCN1CCCC1=O LS40516 [0,1,0,1,0,0|2,0,0]=4
41  B10R1.137  CCOC(=O)CC1COC1 LS41145 [0,1,0,1,0,0|1,0,0]=3
42  B10R1.411  COC(=O)C1(CCCC1)N LS41421 [0,1,0,1,0,0|0,0,0]=2
43  B10R1.1  CCCN1CCC(=O)CC1 LS21101 [0,1,0,1,0,0|1,0,0]=3