0  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [0,0,0,0,0,0|1,0,0]=1
1  B9R0.2  CCCCCCOC(=O)Cl LS41130 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.4  C(CCCF)CCCF LS40668 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.4  C(CCCO)CCCF LS40660 [1,0,0,0,0,0|1,0,1]=3
4  B8R0.4  C(CCCO)CCCO LS40221 [1,0,0,0,0,0|1,0,1]=3
5  B8R0.7  B(CCCCCC)(O)O LS11158 [1,0,0,0,0,0|1,0,1]=3
6  B8R0.7  CC(=O)OCCCCBr LS41690 [1,0,0,0,0,0|3,0,0]=4
7  B10R0.4  B(CCCCCCCC)(O)O LS11160 [0,1,0,0,0,0|1,0,1]=3
8  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [0,1,0,0,0,0|0,0,0]=1
9  B10R1.61  CN1CCCCC1C(=O)O LS20275 [0,0,0,1,0,0|1,0,0]=2
10  B7R0.1  C#CCCCCCO LS40112 [2,0,0,0,0,0|0,0,2]=4
11  B7R0.1  C(CCCF)CCF LS40667 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.1  C(CCCF)CCO LS40659 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.1  C(CCCO)CCN LS40173 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.1  C(CCCS)CCO LS40174 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.1  C=CCCCCCCl LS40295 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.4  B(CCCCC)(O)O LS11156 [2,0,0,0,0,0|1,0,1]=4
17  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.4  CCCCCC(=O)Cl LS40461 [2,0,0,0,0,0|1,0,0]=3
19  B9R0.45  C(CCCCF)CCCF LS40669 [1,1,0,0,0,0|1,0,1]=4
20  B9R0.45  C(CCCCF)CCCO LS40661 [1,1,0,0,0,0|0,0,1]=3
21  B11R0.40  CCCCCCCCC(CO)O LS40490 [0,2,0,0,0,0|0,0,2]=4
22  B11R0.159  CCCCCCCCS(=O)(=O)Cl LS40177 [0,2,0,0,0,0|1,0,1]=4
23  B9R1.8  C1CCNC(C1)CCO LS21152 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.12  CCOCC1CCCO1 LS41243 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.33  CCCN1CCCC1=O LS40501 [1,0,0,1,0,0|1,0,0]=3
26  B9R1.6  B(C1CCCCC1)(O)O LS11159 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.6  C1CC(CNC1)C(=O)O LS20781 [1,0,0,1,0,0|1,0,0]=3
28  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [1,0,0,1,0,0|1,0,0]=3
29  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [1,0,0,1,0,0|1,0,0]=3
30  B9R1.6  C1CNCCC1C(=O)N LS20797 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.6  C1CNCCC1C(=O)O LS20782 [1,0,0,1,0,0|1,0,0]=3
32  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [1,0,0,1,0,0|0,0,2]=4
33  B11R1.40  COC(=O)C[C@@H]1COCCN1 LS30216 [0,1,0,1,0,0|2,0,0]=4