0  B8R0.6  CCCCCC(O)CF 100185 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.6  CCN\C=C\C(=O)OC 13304 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.6  COC(=O)CCCCO 102453 [0,0,0,0,0,0|2,0,0]=2
3  B7R0.1  CCCCC\C=C\I 102635 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.1  C\C=C/CCCCC 102713 [1,0,0,0,0,0|0,0,1]=2
5  B7R0.1  C\C=C/CCCCO 102708 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.4  C=C(F)CCCCO 102348 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.4  C=CCCCC(=O)O 102353 [1,0,0,0,0,0|1,0,2]=4
8  B9R0.5  CCCCCC(C)CC=O 21557 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.46  CCCCCCC(=O)NN 841 [0,1,0,0,0,0|2,0,0]=3
10  B9R1.1  COC1CCC(=O)CC1 11320 [0,0,0,1,0,0|1,0,0]=2
11  B9R1.7  [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,0,0,1,0,0|2,0,0]=3
12  B6R0.6  CCC#CCCC 102645 [2,0,0,0,0,0|0,0,2]=4
13  B6R0.6  C\C=C/CCCO 102707 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.4  C=C\C=C\CCCCC 102639 [1,1,0,0,0,0|0,0,2]=4
15  B8R0.4  CCCCCCCCF 102297 [1,1,0,0,0,0|0,0,1]=3
16  B8R0.4  CCC\C=C\CCCC 102651 [1,1,0,0,0,0|0,0,1]=3
17  B8R0.4  COCOCCCCCl 102435 [1,1,0,0,0,0|2,0,0]=4
18  B10R0.3  CC(C)CCCC(C)CCO 12191 [0,2,0,0,0,0|1,0,1]=4
19  B10R0.6  [2H]\C(=C/C(C)C)CCCCC 100782 [0,2,0,0,0,0|1,0,0]=3
20  B10R0.91  CCCC\C=C(\Br)CCCC 102630 [0,2,0,0,0,0|1,0,1]=4
21  B10R0.74  CCCCCC\C=C(\I)CC 102638 [0,2,0,0,0,0|1,0,0]=3
22  B8R1.2  ON=C1CCCCC1 19847 [1,0,0,1,0,0|2,0,0]=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|0,0,2]=4
29  B10R1.54  [NH+](C)(C)C[C@H]1CCC(=O)O1 21996 [0,1,0,1,0,0|2,0,0]=4
30  B10R1.485  CCC1(O)CCCC(C)C1 12517 [0,1,0,1,0,0|0,0,2]=4
31  B10R1.10  CCOC1CSCC(=O)N1 13347 [0,1,0,1,0,0|2,0,0]=4