0  B12R0.5  CCCCCCCCCCCCBr 3768 [0,0,0,0,0,0|1,0,1]=2
1  B12R0.5  CCCCCCCCCCCCI 3943 [0,0,0,0,0,0|1,0,1]=2
2  B12R0.5  OCCCCCCCCCCCBr 28139 [0,0,0,0,0,0|1,0,2]=3
3  B11R0.3  BrCCCCCCCCCCBr 3873 [1,0,0,0,0,0|2,0,0]=3
4  B11R0.3  CCCCCCCCCCCBr 3840 [1,0,0,0,0,0|1,0,0]=2
5  B11R0.3  CCCCCCCCCCCO 35937 [1,0,0,0,0,0|0,0,1]=2
6  B11R0.3  ICCCCCCCCCCI 3844 [1,0,0,0,0,0|2,0,0]=3
7  B11R0.3  OCCCCCCCCCCBr 36230 [1,0,0,0,0,0|1,0,1]=3
8  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,1,0,0,0,0|0,0,2]=3
9  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,1,0,0,0,0|0,0,2]=3
10  B13R0.336  BrCCCCCCCCCCCCBr 3879 [0,1,0,0,0,0|1,0,1]=3
11  B13R0.336  CCCCCCCCCCCCCO 35600 [0,1,0,0,0,0|0,0,2]=3
12  B13R0.336  OCCCCCCCCCCCCO 45094 [0,1,0,0,0,0|0,0,2]=3
13  B13R1.279  OC1CCCCCCCCCCC1 32338 [0,0,0,1,0,0|0,0,2]=3
14  B10R0.71  BrCCCCCCCCCBr 3900 [2,0,0,0,0,0|2,0,0]=4
15  B10R0.71  CCCCCCCCCCBr 2457 [2,0,0,0,0,0|1,0,0]=3
16  B10R0.71  CCCCCCCCCCI 3942 [2,0,0,0,0,0|1,0,0]=3
17  B10R0.71  ICCCCCCCCCI 3850 [2,0,0,0,0,0|2,0,0]=4
18  B10R0.71  OCCCCCCCCCBr 23429 [2,0,0,0,0,0|1,0,1]=4
19  B12R0.234  CCCCCCCCCCB(O)O 26286 [1,1,0,0,0,0|1,0,1]=4
20  B12R0.234  O=C(O)CCCCCCCCCO 25651 [1,1,0,0,0,0|1,0,0]=3
21  B12R0.248  OCCCCCCCCC(O)CO 32259 [1,1,0,0,0,0|1,0,1]=4
22  B14R0.68  O=C(O)CCCCCCCCCC(=O)O 18095 [0,2,0,0,0,0|1,0,1]=4
23  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] 12538 [0,2,0,0,0,0|2,0,0]=4
24  B14R0.88  CCCCCCCCCCOS(C)(=O)=O 35060 [0,2,0,0,0,0|2,0,0]=4
25  B14R0.337  CCCCCCCCCCCC(=O)OC 35228 [0,2,0,0,0,0|0,0,0]=2
26  B14R0.392  CCCCCCCCCCCCCCO 27404 [0,2,0,0,0,0|0,0,2]=4
27  B12R1.8  CCCCCOC1=CCCCC1 20247 [1,0,0,1,0,0|1,0,1]=4
28  B12R1.18  NCCCN1CCCCCC1=O 36000 [1,0,0,1,0,0|2,0,0]=4
29  B14R1.40  CCCCCCCCCC1OCCO1 31816 [0,1,0,1,0,0|0,0,2]=4
30  B14R2.24  O=C1CCCCN1C2CCNCC2 23035 [0,0,0,2,0,0|2,0,0]=4