0  B7R0.1  CCO\C=C/OCC 103144 [1,0,0,0,0,0|1,0,1]=3
1  B7R0.1  CCO\C=C\OCC 103128 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.1  C\C=C/CCCCC 102713 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.7  CCOC(=O)\C=C/Br 103145 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.7  CCOC(=O)\C=C\I 103147 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.7  CC\C=C(/C)CCC 102642 [1,0,0,0,0,0|2,0,0]=3
6  B9R0.18  C=C(CCCC)CCCC 102634 [0,1,0,0,0,0|2,0,0]=3
7  B9R0.18  CCCCC(=O)COCC 103118 [0,1,0,0,0,0|0,0,0]=1
8  B9R0.34  CCOC(=O)\C=C(/C)CBr 103129 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.6  CCC#CCCC 102645 [2,0,0,0,0,0|0,0,2]=4
10  B6R0.6  CCO\C=C\SC 103146 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.6  C\C=C/CCCO 102707 [2,0,0,0,0,0|1,0,1]=4
12  B8R0.4  CCCCCCCCF 102297 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.4  CCC\C=C\CCCC 102651 [1,1,0,0,0,0|1,0,0]=3
14  B8R0.4  COCOCCCCCl 102435 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.9  COC(=O)CNC(C)=O 22216 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.5  CCOC(=O)\C=C(\C)Br 103130 [1,1,0,0,0,0|0,0,2]=4
17  B8R0.22  CC=C(OCC)OCC 103157 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.22  CCOC(=CBr)OCC 103131 [1,1,0,0,0,0|2,0,0]=4
19  B10R0.6  [2H]\C(=C/C(C)C)CCCCC 100782 [0,2,0,0,0,0|2,0,0]=4
20  B10R0.91  CCCC\C=C(\Br)CCCC 102630 [0,2,0,0,0,0|2,0,0]=4
21  B10R0.116  CCCCP(C)(=O)CCCC 103103 [0,2,0,0,0,0|2,0,0]=4
22  B10R0.109  CCOC(=O)\C=C\C(C)(C)C 103110 [0,2,0,0,0,0|0,0,2]=4
23  B8R1.1  O=C1CC[C@H](CBr)N1 22002 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [1,0,0,1,0,0|2,0,0]=4
25  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.3  CC1=CCC(=O)CC1 102607 [1,0,0,1,0,0|0,0,2]=4
27  B8R1.50  CC1C(=O)CCC1=O 13753 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.4  CC1=CC(=O)CCC1 19984 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.10  CCOC1=CC(=O)CCC1 19990 [0,1,0,1,0,0|1,0,1]=4