0  B13R0.336  CCCCCCCCCCCCCO SC-66880 [0,0,0,0,0,0|0,0,2]=2
1  B13R0.336  CCCCCCNCCCCCCN SC-79034 [0,0,0,0,0,0|2,0,1]=3
2  B13R0.336  OCCCCCCCCCCCCBr SC-47396 [0,0,0,0,0,0|1,0,2]=3
3  B12R0.5  CCCCCCCCCCCC=O SC-88377 [1,0,0,0,0,0|0,0,0]=1
4  B12R0.5  CCCCCCCCCCCCBr SC-01076 [1,0,0,0,0,0|1,0,0]=2
5  B12R0.5  CCCCCCCCCCCCN SC-19005 [1,0,0,0,0,0|1,0,0]=2
6  B12R0.5  OCCCCCCCCCCCO SC-00176 [1,0,0,0,0,0|1,0,1]=3
7  B12R0.5  OCCCCCCCCCCCS SC-93825 [1,0,0,0,0,0|1,0,1]=3
8  B14R0.392  CCCCCCCCCCCCCC=O SC-82426 [0,1,0,0,0,0|0,0,0]=1
9  B14R0.392  CCCCCCCCCCCCCCBr SC-77670 [0,1,0,0,0,0|1,0,1]=3
10  B14R0.394  CCCCCCCCCCCCC(=O)O SC-11010 [0,1,0,0,0,0|0,0,0]=1
11  B14R0.394  CCCCCCCCCCCCC(=O)O SC-88376 [0,1,0,0,0,0|0,0,0]=1
12  B14R0.394  CCCCCCCCCCCCN(C)C SC-79515 [0,1,0,0,0,0|2,0,0]=3
13  B14R0.394  CCCCCCCCCCCOC(C)=O SC-82274 [0,1,0,0,0,0|1,0,0]=2
14  B14R0.394  O=C(O)CCCCCCCCCCCO SC-68314 [0,1,0,0,0,0|1,0,0]=2
15  B11R0.3  C=CCCCCCCCCCO SC-34140 [2,0,0,0,0,0|1,0,1]=4
16  B11R0.3  CCCCCCCCCCCI SC-A3267 [2,0,0,0,0,0|1,0,0]=3
17  B11R0.3  NCCCCCCCCCCN SC-74376 [2,0,0,0,0,0|2,0,0]=4
18  B11R0.3  OCCCCCCCCCCO SC-79152 [2,0,0,0,0,0|1,0,1]=4
19  B13R0.54  NCCCCCCCCCCC(=O)O SC-10118 [1,1,0,0,0,0|1,0,0]=3
20  B13R0.54  O=C(O)CCCCCCCCCCBr SC-53353 [1,1,0,0,0,0|1,0,0]=3
21  B13R0.165  CCCCCCC(=O)CCCCCC SC-87923 [1,1,0,0,0,0|0,0,2]=4
22  B15R0.84  CCCCCCCCCCCC(C)C(=O)[O-] SC-10285 [0,2,0,0,0,0|0,0,0]=2
23  B15R0.247  COC(=O)CCCCCCCCCC(=O)O SC-70879 [0,2,0,0,0,0|1,0,1]=4
24  B15R0.70  CCCCCCCCCCCCCCCBr SC-70025 [0,2,0,0,0,0|1,0,1]=4
25  B15R0.70  OCCCCCCCCCCCCCCO SC-94125 [0,2,0,0,0,0|0,0,2]=4
26  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O SC-95012 [0,2,0,0,0,0|0,0,2]=4
27  B15R0.252  CCCCCCCCCCCC[N+](C)(C)C SC-26661 [0,2,0,0,0,0|2,0,0]=4
28  B15R0.252  CCCCCCCCCCCC[N+](C)(C)[O-] SC-80023 [0,2,0,0,0,0|1,0,1]=4