0  B9R0.5  CCO\C=C\C(=O)OCC LS40219 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.1  CCOC(=O)CCCCl LS41645 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.1  CCOC(=O)NCCCl LS41685 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.29  CCCCN1CCCC1=O LS40516 [0,0,0,1,0,0|2,0,0]=3
4  B10R1.137  CCOC(=O)CC1COC1 LS41145 [0,0,0,1,0,0|1,0,0]=2
5  B10R1.138  CCCC(=O)OC[C@H]1CO1 LS30058 [0,0,0,1,0,0|3,0,0]=4
6  B7R0.7  CCOC(=O)CCCl LS40099 [2,0,0,0,0,0|1,0,0]=3
7  B7R0.4  B(CCCCC)(O)O LS11156 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [2,0,0,0,0,0|2,0,0]=4
9  B7R0.4  CCCCCC(=O)Cl LS40461 [2,0,0,0,0,0|1,0,0]=3
10  B7R0.4  CCC\C=C\C(=O)C LS41924 [2,0,0,0,0,0|0,0,2]=4
11  B9R0.34  CCOC(=O)CC(CCl)O LS40616 [1,1,0,0,0,0|1,0,0]=3
12  B9R0.34  CCOC(=O)C[C@@H](CCl)O LS30197 [1,1,0,0,0,0|1,0,0]=3
13  B9R0.34  CCOC(=O)C[C@H](CCl)O LS30133 [1,1,0,0,0,0|1,0,0]=3
14  B11R0.177  CCOC(=O)C(C(=O)OCC)Br LS41651 [0,2,0,0,0,0|1,0,1]=4
15  B11R0.177  CCOC(=O)C(C(=O)OCC)N LS41747 [0,2,0,0,0,0|1,0,1]=4
16  B11R0.177  CCOC(=O)C(C(=O)OCC)N LS41953 [0,2,0,0,0,0|1,0,1]=4
17  B11R0.165  CC(C)(C)OC(=O)NCCCBr LS40340 [0,2,0,0,0,0|2,0,0]=4
18  B11R0.165  CC(C)(C)OC(=O)NCCCN LS41649 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.33  CCCN1CCCC1=O LS40501 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.49  CN1CCCC(=O)CC1 LS40279 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.1  CCN1CCC(=O)CC1 LS21102 [1,0,0,1,0,0|1,0,0]=3
22  B9R1.1  COC1CCC(=O)CC1 LS40609 [1,0,0,1,0,0|1,0,0]=3
23  B9R1.11  COC(=O)C1=CCCC1 LS20758 [1,0,0,1,0,0|0,0,2]=4
24  B11R1.16  CCOC(=O)C1CCCNC1 LS20466 [0,1,0,1,0,0|0,0,0]=2
25  B11R1.16  CCOC(=O)C1CCNCC1 LS20900 [0,1,0,1,0,0|0,0,0]=2
26  B11R1.16  CCOC(=O)C1CCNCC1 LS20901 [0,1,0,1,0,0|0,0,0]=2
27  B11R1.16  CCOC(=O)[C@@H]1CCCNC1 LS30126 [0,1,0,1,0,0|0,0,0]=2
28  B11R1.30  CCOC(=O)CC1CCCO1 LS20065 [0,1,0,1,0,0|0,0,0]=2