0  B7R0.1  CCCCCCC=C NuBBE_2122 [0,0,0,0,0,0|1,0,1]=2
1  B7R0.1  CCCCCCC=O NuBBE_1378 [0,0,0,0,0,0|0,1,1]=2
2  B7R0.1  CCCCCCCC NuBBE_2121 [0,0,0,0,0,0|1,0,0]=1
3  B7R0.1  CCCCCCCO NuBBE_1375 [0,0,0,0,0,0|0,1,0]=1
4  B7R0.1  CCCSSCC=C NuBBE_1974 [0,0,0,0,0,0|3,0,1]=4
5  B7R0.1  CCCSSCCC NuBBE_398 [0,0,0,0,0,0|3,0,0]=3
6  B6R0.6  CCCCCC=C NuBBE_2125 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.6  CCCCCC=O NuBBE_1379 [1,0,0,0,0,0|0,1,1]=3
8  B6R0.6  CCCCCCC NuBBE_2116 [1,0,0,0,0,0|0,0,0]=1
9  B8R0.4  CCCCCCCC=C NuBBE_2114 [0,1,0,0,0,0|1,0,0]=2
10  B8R0.4  CCCCCCCC=O NuBBE_1383 [0,1,0,0,0,0|0,1,0]=2
11  B8R0.4  CCCCCCCCC NuBBE_2123 [0,1,0,0,0,0|1,0,0]=2
12  B8R1.2  CCC1=CCCCC1 NuBBE_2137 [0,0,0,1,0,0|1,0,1]=3
13  B8R1.2  CCC1CCCCC1 NuBBE_2127 [0,0,0,1,0,0|1,0,0]=2
14  B5R0.2  CCCCC=C NuBBE_2124 [2,0,0,0,0,0|0,0,2]=4
15  B5R0.2  CCCCCC NuBBE_2120 [2,0,0,0,0,0|0,0,0]=2
16  B7R0.7  CCOC(C)OCC NuBBE_1377 [1,1,0,0,0,0|2,0,0]=4
17  B9R0.4  CCCC[C@@H](CC(C)C)O NuBBE_1775 [0,2,0,0,0,0|1,0,0]=3
18  B9R0.4  CCCC[C@H](CC(C)C)O NuBBE_1774 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.45  CCCCCCCCC=C NuBBE_2118 [0,2,0,0,0,0|1,0,0]=3
20  B9R0.45  CCCCCCCCC=O NuBBE_1382 [0,2,0,0,0,0|0,1,0]=3
21  B9R0.45  CCCCCCCCCC NuBBE_2115 [0,2,0,0,0,0|1,0,0]=3
22  B7R1.1  CCC1=CCCC1 NuBBE_2135 [1,0,0,1,0,0|0,0,2]=4
23  B7R1.3  CC1=CCCCC1 NuBBE_2134 [1,0,0,1,0,0|0,0,2]=4
24  B7R1.3  CC1CCCCC1 NuBBE_2126 [1,0,0,1,0,0|0,0,0]=2
25  B9R1.8  CCCC1=CCCCC1 NuBBE_2138 [0,1,0,1,0,0|1,0,0]=3
26  B9R1.8  CCCC1CCCCC1 NuBBE_2128 [0,1,0,1,0,0|1,0,0]=3
27  B9R1.1  CCC1CCC(CC1)O NuBBE_653 [0,1,0,1,0,0|1,0,0]=3
28  B9R1.1  CCC1CCC(CC1)O NuBBE_654 [0,1,0,1,0,0|1,0,0]=3