0  B13R0.336  BrCCCCCCCCCCCCBr D56328 [0,0,0,0,0,0|2,0,1]=3
1  B13R0.336  NCCCCCCCCCCCCO A56354 [0,0,0,0,0,0|1,0,2]=3
2  B13R0.336  OCCCCCCCCCCCCBr B56351 [0,0,0,0,0,0|1,0,2]=3
3  B13R0.336  OCCCCCOCCCCCCCl C62131 [0,0,0,0,0,0|2,0,2]=4
4  B12R0.5  C#CCCCCCCCCCCO D56304 [1,0,0,0,0,0|0,0,3]=4
5  B12R0.5  CCCCCCCCCCCCO D64921 [1,0,0,0,0,0|0,0,1]=2
6  B12R0.5  CCCCCCCCCCN=[N+]=[N-] A1900 [1,0,0,0,0,0|3,0,0]=4
7  B12R0.5  CCOCCCCCCCCCO E64231 [1,0,0,0,0,0|1,0,1]=3
8  B12R0.5  OCCCCCCCCCCCBr B55158 [1,0,0,0,0,0|1,0,1]=3
9  B12R0.5  OCCCCCCCCCCCO U55159 [1,0,0,0,0,0|1,0,1]=3
10  B14R0.392  CCCCCCCCCCCCCCBr B68491 [0,1,0,0,0,0|1,0,1]=3
11  B14R0.392  CCCCCCCCCCCCN=[N+]=[N-] A1887 [0,1,0,0,0,0|2,0,0]=3
12  B14R0.392  OCCCCCCCCCCCCCO T57290 [0,1,0,0,0,0|0,0,2]=3
13  B14R0.392  [N-]=[N+]=NCCCCCCCCCCC=O A7387 [0,1,0,0,0,0|2,0,0]=3
14  B14R0.392  [N-]=[N+]=NCCCCCCCCCCCO A0657 [0,1,0,0,0,0|3,0,0]=4
15  B11R0.3  BrCCCCCCCCCCBr D39629 [2,0,0,0,0,0|2,0,0]=4
16  B11R0.3  C=CCCCCCCCCCBr B55096 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.3  C=CCCCCCCCCCC D56327 [2,0,0,0,0,0|0,0,1]=3
18  B11R0.3  C=CCCCCCCCCCO U55141 [2,0,0,0,0,0|1,0,1]=4
19  B11R0.3  CCCCCCCCCCCO U67607 [2,0,0,0,0,0|0,0,1]=3
20  B11R0.3  ClCCCCCCCCCCCl D39630 [2,0,0,0,0,0|2,0,0]=4
21  B11R0.3  OCCCCCCCCCCBr B53359 [2,0,0,0,0,0|1,0,1]=4
22  B13R0.54  O=C(O)CCCCCCCCCCBr B39661 [1,1,0,0,0,0|1,0,0]=3
23  B13R0.54  O=C(O)CCCCCCCCCCS M31896 [1,1,0,0,0,0|1,0,0]=3
24  B15R0.70  OCCCCCCCCCCCCCCBr B58011 [0,2,0,0,0,0|0,0,2]=4
25  B15R0.70  OCCCCCCCCCCCCCCO T58013 [0,2,0,0,0,0|0,0,2]=4
26  B15R0.164  [N-]=[N+]=NCCCCCCCCCCC(=O)O A9114 [0,2,0,0,0,0|2,0,0]=4
27  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] S39686 [0,2,0,0,0,0|1,0,0]=3