0  B11R0.3  CCCCCCCCCCC=O SBB059873 [0,0,0,0,0,0|0,0,4]=4
1  B11R0.3  CCCCCCCCCOC=O SBB060304 [0,0,0,0,0,0|1,0,3]=4
2  B11R0.3  CCCCCC\C=C\C=C\C=O SBB068342 [0,0,0,0,0,0|0,0,0]=0
3  B10R0.71  C=CCCCCCCCCC SBB009051 [1,0,0,0,0,0|0,0,3]=4
4  B10R0.71  CCCCCCCCCC=O SBB058676 [1,0,0,0,0,0|0,0,3]=4
5  B10R0.71  CCCCCCCCNC=O SBB061176 [1,0,0,0,0,0|1,0,2]=4
6  B10R0.71  CCCCC\C=C\C=C\C=O SBB066368 [1,0,0,0,0,0|0,0,0]=1
7  B12R1.8  BrCCCOCC1=CC=CC=C1 SBB055279 [0,0,0,1,0,0|3,0,0]=4
8  B12R1.8  CCCCCOC1=CC=CC=C1 SBB060062 [0,0,0,1,0,0|2,0,0]=3
9  B12R1.8  CCCCOCC1=CC=CC=C1 SBB061154 [0,0,0,1,0,0|2,0,0]=3
10  B12R1.8  N(CCCC)CC1=CC=CC=C1 SBB006552 [0,0,0,1,0,0|2,0,0]=3
11  B12R1.8  NCCCNCC1=CC=CC=C1 SBB015090 [0,0,0,1,0,0|3,0,0]=4
12  B12R1.8  NCCCOCC1=CC=CC=C1 SBB072321 [0,0,0,1,0,0|3,0,0]=4
13  B12R1.8  OCCCNCC1=CC=CC=C1 SBB055297 [0,0,0,1,0,0|3,0,0]=4
14  B12R1.121  CCCOC1=CC=CC=C1C=O SBB001592 [0,0,0,1,0,0|1,0,2]=4
15  B12R1.267  CCCCOC1=C(N)C=CC=C1 SBB001578 [0,0,0,1,0,0|2,0,1]=4
16  B9R0.45  C(=O)\C=C\CCCCCC SBB006609 [2,0,0,0,0,0|0,0,0]=2
17  B9R0.45  C(=O)\C=C\CC\C=C/CC SBB006611 [2,0,0,0,0,0|0,0,2]=4
18  B9R0.45  C=CCCCCCCCC SBB058674 [2,0,0,0,0,0|0,0,2]=4
19  B9R0.45  CCCCCCCCC=O SBB059872 [2,0,0,0,0,0|0,0,2]=4
20  B9R0.45  CCCCCCCOC=O SBB060303 [2,0,0,0,0,0|1,0,1]=4
21  B11R0.140  C\C=C\C=C\C(=O)OCCCC SBB007991 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.17  NCCCN1C=CC=CC1=O SBB072557 [1,0,0,1,0,0|2,0,0]=4
23  B11R1.28  CCCCCC1=CC=CC=C1 SBB057141 [1,0,0,1,0,0|0,0,1]=3
24  B11R1.28  CCCCNC1=CC=CC=C1 SBB058812 [1,0,0,1,0,0|1,0,1]=4
25  B11R1.28  CCCCOC1=CC=CC=C1 SBB060061 [1,0,0,1,0,0|1,0,1]=4
26  B11R1.28  CCCNCC1=CC=CC=C1 SBB080024 [1,0,0,1,0,0|1,0,1]=4
27  B11R1.28  CCCOCC1=CC=CC=C1 SBB061197 [1,0,0,1,0,0|1,0,1]=4
28  B11R1.28  NCCCCC1=NC=CC=C1 SBB018864 [1,0,0,1,0,0|2,0,0]=4
29  B13R1.119  ClCCCCCCCC1=CC=CS1 SBB013602 [0,1,0,1,0,0|0,1,1]=4
30  B13R1.28  CCCCCCCC1=CC=CC=C1 SBB057142 [0,1,0,1,0,0|1,0,0]=3
31  B13R1.28  COCCCNCC1=CC=CC=N1 SBB301410 [0,1,0,1,0,0|2,0,0]=4
32  B13R1.28  OCCCCNCC1=CC=CC=C1 SBB000208 [0,1,0,1,0,0|2,0,0]=4
33  B13R1.84  CCCCOC1=CC=CC=C1C=O SBB020088 [0,1,0,1,0,0|0,0,2]=4
34  B13R1.555  CCCCNCC1=C(Cl)C=CC=C1 SBB080107 [0,1,0,1,0,0|1,0,1]=4
35  B13R1.24  CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,1,0,1,0,0|1,0,1]=4
36  B13R1.656  CCCCCC1=CC(C)=CC=C1O SBB059373 [0,1,0,1,0,0|0,0,2]=4
37  B13R1.9  CCCCCCC1=CC=C(N)C=C1 SBB006538 [0,1,0,1,0,0|1,0,0]=3
38  B13R1.9  CCCCCCC1=CC=C(O)C=C1 SBB059155 [0,1,0,1,0,0|1,0,0]=3
39  B13R1.9  CCCCCOC1=CC=C(Br)C=C1 SBB059355 [0,1,0,1,0,0|2,0,0]=4
40  B13R1.9  CCCCCOC1=CC=C(N)C=C1 SBB008317 [0,1,0,1,0,0|2,0,0]=4
41  B13R1.9  OC1=CC=C(OCCCCC)C=C1 SBB005867 [0,1,0,1,0,0|2,0,0]=4
42  B13R2.3  C1=CC=C(C2CCCCC2)C=C1 SBB060081 [0,0,0,2,0,0|1,0,0]=3
43  B13R2.3  C1=CC=C(C2CCCCN2)C=C1 SBB022661 [0,0,0,2,0,0|2,0,0]=4
44  B13R2.3  C1=CC=C(C2CCCNC2)C=C1 SBB010187 [0,0,0,2,0,0|2,0,0]=4
45  B13R2.3  C1=CC=C(C2CCNCC2)C=C1 SBB014484 [0,0,0,2,0,0|2,0,0]=4
46  B13R2.2382  C1=CC=C(CNCC2CC2)C=C1 SBB010434 [0,0,0,2,0,0|2,0,0]=4
47  B13R2.61  O=CC1=CC=NN1C2CCCC2 SBB027107 [0,0,0,2,0,0|2,0,0]=4
48  B13R2.32  CC1CCC2=CC=CC=C2C1=O SBB067641 [0,0,0,2,0,0|0,0,2]=4