0  B13R0.54  NCCCCCCCCCCC(=O)O SC-10118 [0,0,0,0,0,0|1,0,0]=1
1  B13R0.54  O=C(O)CCCCCCCCCCBr SC-53353 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.5  CCCCCCCCCCCC=O SC-88377 [1,0,0,0,0,0|0,0,0]=1
3  B12R0.5  CCCCCCCCCCCCBr SC-01076 [1,0,0,0,0,0|1,0,1]=3
4  B12R0.5  CCCCCCCCCCCCN SC-19005 [1,0,0,0,0,0|1,0,1]=3
5  B12R0.5  OCCCCCCCCCCCO SC-00176 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.5  OCCCCCCCCCCCS SC-93825 [1,0,0,0,0,0|1,0,1]=3
7  B12R0.234  C=CCCCCCCCCC(=O)O SC-19067 [1,0,0,0,0,0|0,0,2]=3
8  B12R0.234  CCCCCCCCCCC(=O)O SC-19068 [1,0,0,0,0,0|0,0,0]=1
9  B12R0.234  CCCCCCCCCCC(C)=O SC-96546 [1,0,0,0,0,0|1,0,0]=2
10  B12R0.234  CCCCCCCC\C=C\C(=O)[O-] SC-54545 [1,0,0,0,0,0|0,0,3]=4
11  B12R0.234  NCCCCCCCCCC(=O)O SC-48732 [1,0,0,0,0,0|1,0,0]=2
12  B12R0.234  O=C(O)CCCCCCCCCBr SC-46193 [1,0,0,0,0,0|1,0,0]=2
13  B12R0.234  O=C(O)CCCCCCCCCO SC-57850 [1,0,0,0,0,0|1,0,0]=2
14  B12R0.234  O=C(O)\C=C\CCCCCCCO SC-18928 [1,0,0,0,0,0|1,0,2]=4
15  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] SC-80135 [0,1,0,0,0,0|2,0,1]=4
16  B14R0.337  COC(=O)CCCCCCCCCCBr SC-98482 [0,1,0,0,0,0|1,0,0]=2
17  B14R0.394  CCCCCCCCCCCCC(=O)O SC-11010 [0,1,0,0,0,0|0,0,0]=1
18  B14R0.394  CCCCCCCCCCCCC(=O)O SC-88376 [0,1,0,0,0,0|0,0,0]=1
19  B14R0.394  CCCCCCCCCCCCN(C)C SC-79515 [0,1,0,0,0,0|3,0,0]=4
20  B14R0.394  CCCCCCCCCCCOC(C)=O SC-82274 [0,1,0,0,0,0|1,0,0]=2
21  B14R0.394  O=C(O)CCCCCCCCCCCO SC-68314 [0,1,0,0,0,0|0,0,0]=1
22  B14R0.394  O=C(O)CCOCCOCCOCCBr SC-A2262 [0,1,0,0,0,0|3,0,0]=4
23  B11R0.3  C=CCCCCCCCCCO SC-34140 [2,0,0,0,0,0|0,0,2]=4
24  B11R0.3  CCCCCCCCCCCI SC-A3267 [2,0,0,0,0,0|1,0,0]=3
25  B11R0.3  NCCCCCCCCCCN SC-74376 [2,0,0,0,0,0|2,0,0]=4
26  B11R0.3  OCCCCCCCCCCO SC-79152 [2,0,0,0,0,0|1,0,0]=3
27  B11R0.148  CCCCCCCCCC(=O)Cl SC-20640 [2,0,0,0,0,0|1,0,0]=3
28  B11R0.148  CCCCCCCCOC(=O)Cl SC-46831 [2,0,0,0,0,0|2,0,0]=4
29  B11R0.148  O=C(O)CCCCCCCCBr SC-52958 [2,0,0,0,0,0|1,0,0]=3
30  B13R0.336  CCCCCCCCCCCCCO SC-66880 [1,1,0,0,0,0|0,0,1]=3
31  B13R0.336  CCCCCCNCCCCCCN SC-79034 [1,1,0,0,0,0|1,0,1]=4
32  B13R0.336  OCCCCCCCCCCCCBr SC-47396 [1,1,0,0,0,0|0,0,1]=3
33  B13R0.150  CCCCCCCCCC(C)C(=O)[O-] SC-10287 [1,1,0,0,0,0|0,0,1]=3
34  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] SC-72653 [1,1,0,0,0,0|1,0,1]=4
35  B15R0.247  COC(=O)CCCCCCCCCC(=O)O SC-70879 [0,2,0,0,0,0|0,0,1]=3
36  B15R0.84  CCCCCCCCCCCC(C)C(=O)[O-] SC-10285 [0,2,0,0,0,0|0,0,1]=3
37  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O SC-95012 [0,2,0,0,0,0|1,0,1]=4