0  B11R0.3  CCCCCCCCCC[Mg]Br 8522AJ [0,0,0,0,0,0|2,0,0]=2
1  B11R0.3  CCCCCCCCCN=C=S 3732AE [0,0,0,0,0,0|1,1,1]=3
2  B11R0.3  CCCCCCCC\C=C\CO 9215AL [0,0,0,0,0,0|0,0,4]=4
3  B11R0.3  CCCCCC\C=C\C=C\C=O U351 [0,0,0,0,0,0|0,0,4]=4
4  B10R0.71  CCCCC#CCCCCC 6823AL [1,0,0,0,0,0|0,0,3]=4
5  B10R0.71  CCCCCCCCSC#N I543 [1,0,0,0,0,0|2,0,1]=4
6  B10R0.71  CCC\C=C\CCCCC=O Z6189 [1,0,0,0,0,0|0,0,2]=3
7  B10R0.71  SCCCCCCCCCS 7641AJ [1,0,0,0,0,0|1,1,0]=3
8  B12R0.5  CCCCCCCCCCCCF 0557AE [0,1,0,0,0,0|1,0,1]=3
9  B12R0.5  CCCCCCCOCCCCO 0669AP [0,1,0,0,0,0|0,0,2]=3
10  B12R0.234  C=CCCCCCCCCC(=O)[O-] 5895AF [0,1,0,0,0,0|0,0,2]=3
11  B12R0.234  CCCCCCCC\C=C\C(=O)[O-] 5894AF [0,1,0,0,0,0|0,0,2]=3
12  B12R1.8  N#CCCCCN1CCCCC1 4078AE [0,0,0,1,0,0|2,0,1]=4
13  B12R1.372  CCCCC\C=C1/CCCC1=O X3212 [0,0,0,1,0,0|0,0,2]=3
14  B9R0.45  CCCC#CCCCCC 5748AF [2,0,0,0,0,0|0,0,2]=4
15  B9R0.45  CCCCCCCC[Mg]Cl 8960AJ [2,0,0,0,0,0|2,0,0]=4
16  B9R0.45  CCCCCCCOC=O 7967AF [2,0,0,0,0,0|1,0,0]=3
17  B9R0.45  CCCCCC\C=C\C=O Y1535 [2,0,0,0,0,0|0,0,2]=4
18  B11R0.4  CCCCCCC[C@@H](O)CCO U176 [1,1,0,0,0,0|0,0,1]=3
19  B11R0.40  CCCCCCCC[C@H](O)CO O031 [1,1,0,0,0,0|0,0,1]=3
20  B11R0.148  CCCCCCCCCC(C)C 5742AL [1,1,0,0,0,0|0,0,1]=3
21  B11R0.148  C\C=C/CCCCCCC(=O)O Z6197 [1,1,0,0,0,0|0,0,2]=4
22  B13R0.54  CCCCCCCCCCCC(=O)O 6043AF [0,2,0,0,0,0|0,0,0]=2
23  B13R0.54  CCCCCCCCCCNC(N)=S 8339AD [0,2,0,0,0,0|0,1,0]=3
24  B13R0.336  CCCCCCCCCCCC[Mg]Br 7682AJ [0,2,0,0,0,0|1,0,1]=4
25  B13R0.336  CCCCCCCCCCSCCO 6050AF [0,2,0,0,0,0|0,0,2]=4
26  B13R0.336  CCCCCCCCCC\C=C\CO 9214AL [0,2,0,0,0,0|0,0,1]=3
27  B13R0.336  ClCCCCCCCCCCCCCl 6037AF [0,2,0,0,0,0|1,0,1]=4
28  B13R0.336  N#CCCCCCCCCCCC#N 7814AL [0,2,0,0,0,0|1,0,1]=4
29  B13R0.336  O=CCCCCCCCCCCCO Y1797 [0,2,0,0,0,0|0,0,0]=2
30  B13R0.1  CCCCCCC(O)CCOC(C)=O P177 [0,2,0,0,0,0|1,0,0]=3
31  B13R0.179  CC(=O)CCCCCCCCC(C)=O 3995AJ [0,2,0,0,0,0|0,0,1]=3
32  B13R0.412  CCCCCCCCCC(OC)OC U171 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.117  NCCN1CCCCCCC1 Z3205 [1,0,0,1,0,0|2,0,0]=4
34  B13R1.279  BrC1CCCCCCCCCCC1 Y4078 [0,1,0,1,0,0|1,0,1]=4
35  B13R1.279  NC1CCCCCCCCCCC1 7506AL [0,1,0,1,0,0|1,0,1]=4
36  B13R1.654  CCCCCC\C=C1/CCCC1=O X3213 [0,1,0,1,0,0|0,0,1]=3