0  B8R0.4  C(CCCF)CCCF LS40668 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.4  C(CCCO)CCCF LS40660 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.4  C(CCCO)CCCO LS40221 [0,0,0,0,0,0|1,0,2]=3
3  B7R0.1  C#CCCCCCO LS40112 [1,0,0,0,0,0|0,0,3]=4
4  B7R0.1  C(CCCF)CCF LS40667 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.1  C(CCCF)CCO LS40659 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.1  C(CCCO)CCN LS40173 [1,0,0,0,0,0|1,0,1]=3
7  B7R0.1  C(CCCS)CCO LS40174 [1,0,0,0,0,0|1,0,1]=3
8  B7R0.1  C=CCCCCCCl LS40295 [1,0,0,0,0,0|1,0,1]=3
9  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [0,1,0,0,0,0|1,0,0]=2
10  B9R0.2  CCCCCCOC(=O)Cl LS41130 [0,1,0,0,0,0|1,0,0]=2
11  B9R0.45  C(CCCCF)CCCF LS40669 [0,1,0,0,0,0|1,0,1]=3
12  B9R0.45  C(CCCCF)CCCO LS40661 [0,1,0,0,0,0|0,0,2]=3
13  B9R1.8  C1CCNC(C1)CCO LS21152 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.12  CCCCN1CCCC1 LS20142 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.12  CCOCC1CCCO1 LS41243 [0,0,0,1,0,0|1,0,2]=4
16  B9R1.33  CCCN1CCCC1=O LS40501 [0,0,0,1,0,0|1,0,0]=2
17  B6R0.6  C(CCF)CCF LS40666 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.6  C(CCO)CCF LS40658 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.6  COCCCCCl LS00136 [2,0,0,0,0,0|2,0,0]=4
21  B8R0.7  B(CCCCCC)(O)O LS11158 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.7  CC(=O)OCCCCBr LS41690 [1,1,0,0,0,0|2,0,0]=4
23  B10R0.4  B(CCCCCCCC)(O)O LS11160 [0,2,0,0,0,0|0,0,2]=4
24  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [0,2,0,0,0,0|0,0,0]=2
25  B10R0.71  C(CCCCO)CCCCF LS40662 [0,2,0,0,0,0|0,0,2]=4
26  B10R0.71  C(CCCl)COCCCCCl LS41698 [0,2,0,0,0,0|1,0,1]=4
27  B10R0.71  CCCCCCCC#CCO LS40218 [0,2,0,0,0,0|0,0,2]=4
28  B8R1.2  C1CCC(CC1)C=O LS40273 [1,0,0,1,0,0|0,0,0]=2
29  B8R1.2  C1CCC(CC1)CN LS40038 [1,0,0,1,0,0|1,0,0]=3
30  B8R1.2  C1CCN(CC1)C=O LS20491 [1,0,0,1,0,0|1,0,0]=3
31  B8R1.2  C1CCOC(C1)CO LS20884 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.2  C1CNCCC1CN LS21222 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.2  CC[C@@H]1COCCN1 LS30017 [1,0,0,1,0,0|2,0,0]=4
34  B8R1.2  CC[C@H]1COCCN1 LS30018 [1,0,0,1,0,0|2,0,0]=4
35  B8R1.5  C1CC[C@@H]([C@H](C1)N)N LS30194 [1,0,0,1,0,0|2,0,0]=4
36  B8R1.5  C1CC[C@@H]([C@H](C1)N)O LS30024 [1,0,0,1,0,0|1,0,1]=4
37  B8R1.5  C1CC[C@@H]([C@H](C1)N)O LS30123 [1,0,0,1,0,0|1,0,1]=4
38  B8R1.5  C1CC[C@H]([C@@H](C1)N)N LS30059 [1,0,0,1,0,0|2,0,0]=4
39  B8R1.5  C1CC[C@H]([C@H](C1)N)O LS30029 [1,0,0,1,0,0|1,0,1]=4
40  B8R1.8  C1CCN(C1)CCN LS20889 [1,0,0,1,0,0|2,0,0]=4
41  B10R1.61  CN1CCCCC1C(=O)O LS20275 [0,1,0,1,0,0|1,0,0]=3
42  B10R1.29  CCCCN1CCCC1=O LS40516 [0,1,0,1,0,0|0,0,0]=2
43  B10R1.17  C1CNCCC1CCCO LS20465 [0,1,0,1,0,0|0,0,2]=4
44  B10R2.62  C1CN2CCC1C(=O)C2 LS20486 [0,0,0,2,0,0|1,0,0]=3