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|0,0,2]=2
3  B10R0.71  CCCCC#CCCCCC 6823AL [1,0,0,0,0,0|0,0,2]=3
4  B10R0.71  CCCCCCCCSC#N I543 [1,0,0,0,0,0|2,0,1]=4
5  B10R0.71  SCCCCCCCCCS 7641AJ [1,0,0,0,0,0|1,1,0]=3
6  B12R0.5  CCCCCCCCCCCCF 0557AE [0,1,0,0,0,0|1,0,0]=2
7  B12R0.5  CCCCCCCOCCCCO 0669AP [0,1,0,0,0,0|0,0,0]=1
8  B12R0.248  CCCCCCCCOC(=O)CC 5906AF [0,1,0,0,0,0|2,0,1]=4
9  B12R1.8  N#CCCCCN1CCCCC1 4078AE [0,0,0,1,0,0|2,0,1]=4
10  B9R0.45  CCCC#CCCCCC 5748AF [2,0,0,0,0,0|0,0,2]=4
11  B9R0.45  CCCCCCCC[Mg]Cl 8960AJ [2,0,0,0,0,0|2,0,0]=4
12  B11R0.4  CCCCCCC[C@@H](O)CCO U176 [1,1,0,0,0,0|0,0,0]=2
13  B11R0.40  CCCCCCCC[C@H](O)CO O031 [1,1,0,0,0,0|0,0,0]=2
14  B11R0.148  CCCCCCCCCC(C)C 5742AL [1,1,0,0,0,0|0,0,0]=2
15  B13R0.54  CCCCCCCCCCCC(=O)O 6043AF [0,2,0,0,0,0|0,0,0]=2
16  B13R0.54  CCCCCCCCCCNC(N)=S 8339AD [0,2,0,0,0,0|0,1,1]=4
17  B13R0.336  CCCCCCCCCCCC[Mg]Br 7682AJ [0,2,0,0,0,0|1,0,0]=3
18  B13R0.336  CCCCCCCCCCSCCO 6050AF [0,2,0,0,0,0|0,0,0]=2
19  B13R0.336  CCCCCCCCCC\C=C\CO 9214AL [0,2,0,0,0,0|0,0,0]=2
20  B13R0.336  ClCCCCCCCCCCCCCl 6037AF [0,2,0,0,0,0|1,0,0]=3
21  B13R0.336  N#CCCCCCCCCCCC#N 7814AL [0,2,0,0,0,0|1,0,1]=4
22  B13R0.336  NCCCNCCCCNCCCN 5790AF [0,2,0,0,0,0|2,0,0]=4
23  B13R0.336  NCCCNCCCCNCCCN 8999AL [0,2,0,0,0,0|2,0,0]=4
24  B13R0.336  O=CCCCCCCCCCCCO Y1797 [0,2,0,0,0,0|0,0,0]=2
25  B13R0.412  CCCCCCCCCC(OC)OC U171 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.28  CNCCCN1CCCCC1 3413AC [1,0,0,1,0,0|2,0,0]=4
27  B11R1.28  OCCCCN1CCNCC1 X3650 [1,0,0,1,0,0|2,0,0]=4
28  B11R1.117  NCCN1CCCCCCC1 Z3205 [1,0,0,1,0,0|2,0,0]=4
29  B13R1.279  BrC1CCCCCCCCCCC1 Y4078 [0,1,0,1,0,0|1,0,0]=3
30  B13R1.279  NC1CCCCCCCCCCC1 7506AL [0,1,0,1,0,0|1,0,0]=3
31  B13R1.24  CCCCCC(C)N1CCCCC1 Q543 [0,1,0,1,0,0|2,0,0]=4
32  B13R2.3  C1CCC(C2CCCCN2)NC1 7201AB [0,0,0,2,0,0|2,0,0]=4
33  B13R2.1613  OCC1CCCN2CCCCC12 7398AC [0,0,0,2,0,0|1,0,0]=3