0  B7R0.1  C(CCCF)CCF LS40667 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.1  C(CCCF)CCO LS40659 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.1  C(CCCO)CCN LS40173 [0,0,0,0,0,0|4,0,0]=4
3  B7R0.1  C(CCCS)CCO LS40174 [0,0,0,0,0,0|4,0,0]=4
4  B6R0.6  C(CBr)NCCBr LS41604 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.6  C(CCF)CCF LS40666 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.6  C(CCO)CCF LS40658 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.6  C(CCl)NCCCl LS40789 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.6  COCCCCCl LS00136 [1,0,0,0,0,0|3,0,0]=4
9  B8R0.4  C(CCCF)CCCF LS40668 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.4  C(CCCO)CCCF LS40660 [0,1,0,0,0,0|3,0,0]=4
11  B8R0.4  C(CCCO)CCCO LS40221 [0,1,0,0,0,0|3,0,0]=4
12  B8R1.2  C1CCC(CC1)CN LS40038 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.2  C1CCOC(C1)CO LS20884 [0,0,0,1,0,0|2,1,0]=4
14  B8R1.2  CC[C@@H]1COCCN1 LS30017 [0,0,0,1,0,0|2,1,0]=4
15  B8R1.2  CC[C@H]1COCCN1 LS30018 [0,0,0,1,0,0|2,1,0]=4
16  B8R1.2  CNC1CCCNC1 LS20138 [0,0,0,1,0,0|3,0,0]=4
17  B8R1.8  C1CCN(C1)CCN LS20889 [0,0,0,1,0,0|3,0,0]=4
18  B5R0.2  C(CCBr)CBr LS40910 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.2  C(CCF)CF LS40665 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.2  C(CCF)CO LS40657 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.2  COCCCBr LS40222 [2,0,0,0,0,0|2,0,0]=4
22  B9R0.45  C(CCCCF)CCCF LS40669 [0,2,0,0,0,0|2,0,0]=4
23  B9R0.45  C(CCCCF)CCCO LS40661 [0,2,0,0,0,0|2,0,0]=4
24  B7R1.1  C1C[C@@H](OC1)CN LS30245 [1,0,0,1,0,0|1,1,0]=4
25  B7R1.1  C1C[C@H](OC1)CN LS30244 [1,0,0,1,0,0|1,1,0]=4
26  B7R1.3  C1CC(CNC1)O LS20687 [1,0,0,1,0,0|2,0,0]=4
27  B7R1.3  C1C[C@@H](CNC1)N LS30004 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.3  C1C[C@H](CNC1)N LS30290 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.3  CC1CCCCN1 LS21158 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.3  C[C@@H]1CNCCN1 LS30176 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.3  C[C@@H]1CNCCO1 LS30015 [1,0,0,1,0,0|2,0,0]=4
32  B7R1.3  C[C@@H]1COCCN1 LS30002 [1,0,0,1,0,0|1,1,0]=4
33  B7R1.3  C[C@@H]1COCCN1 LS30011 [1,0,0,1,0,0|1,1,0]=4
34  B7R1.3  C[C@H]1CNCCN1 LS30177 [1,0,0,1,0,0|2,0,0]=4
35  B7R1.3  C[C@H]1CNCCO1 LS30016 [1,0,0,1,0,0|2,0,0]=4
36  B7R1.3  C[C@H]1COCCN1 LS30012 [1,0,0,1,0,0|1,1,0]=4
37  B7R1.3  C[C@H]1COCCN1 LS30156 [1,0,0,1,0,0|1,1,0]=4
38  B7R1.24  C1CNCCNC1 LS40494 [1,0,0,1,0,0|2,0,0]=4
39  B9R1.8  C1CCNC(C1)CCO LS21152 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.12  CCCCN1CCCC1 LS20142 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.12  CCOCC1CCCO1 LS41243 [0,1,0,1,0,0|1,1,0]=4
42  B9R1.33  CCCN1CCCC1=O LS40501 [0,1,0,1,0,0|2,0,0]=4