0  B8R1.3  OC1=CC=C(Cl)C=C1 D00149 [0,0,0,0,0,0|1,0,0]=1
1  B8R1.3  OC1=CC=C(O)C=C1 D00073 [0,0,0,0,0,0|0,0,0]=0
2  B7R1.3  NC1=CC=NC=C1 D04127 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.3  OC1=CC=CC=C1 D00033 [1,0,0,0,0,0|0,0,0]=1
4  B7R1.3  OC1=CC=CC=C1 D06534 [1,0,0,0,0,0|0,0,0]=1
5  B7R1.3  [O-]C1=CC=CC=C1 D05455 [1,0,0,0,0,0|0,0,1]=2
6  B9R1.1  COC1=CC=C(O)C=C1 D04926 [0,1,0,0,0,0|0,0,0]=1
7  B9R1.69  CC1=C(Cl)C=CC(O)=C1 D03468 [0,1,0,0,0,0|1,0,0]=2
8  B9R1.69  O=C1C=C(O)C(Cl)=CN1 D01846 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.6  O=C(O)\C=C\C(=O)O D02308 [0,0,1,0,0,0|2,0,0]=3
10  B7R0.6  O=C([O-])\C=C\C(=O)O D09832 [0,0,1,0,0,0|2,0,1]=4
11  B8R1.2  C(=O)C1=CC=CC=C1 D02314 [1,1,0,0,0,0|0,0,1]=3
12  B8R1.2  OCC1=CC=CC=C1 D00077 [1,1,0,0,0,0|0,0,0]=2
13  B8R1.2  OCC1=CC=CN=C1 D05158 [1,1,0,0,0,0|1,0,0]=3
14  B8R1.4  CC1=CC(O)=CC=C1 D04951 [1,1,0,0,0,0|0,0,0]=2
15  B8R1.4  OC1=CC=CC(O)=C1 D00133 [1,1,0,0,0,0|0,0,0]=2
16  B8R1.5  NC1=CC=NC=C1N D10228 [1,1,0,0,0,0|2,0,0]=4
17  B8R1.5  NC1=CC=NC=C1N D10689 [1,1,0,0,0,0|2,0,0]=4
18  B8R1.5  [O-]N1C=CC=CC1=S D01938 [1,1,0,0,0,0|1,0,1]=4
19  B8R1.5  [O-]N1C=CC=CC1=S D05662 [1,1,0,0,0,0|1,0,1]=4
20  B10R1.13  CN(C)C1=CC=C(O)C=C1 D07852 [0,2,0,0,0,0|1,0,0]=3
21  B10R1.13  NC1=CC=C(C(=O)O)C=C1 D02456 [0,2,0,0,0,0|1,0,0]=3
22  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,2,0,0,0,0|1,0,1]=4
23  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,2,0,0,0,0|1,0,1]=4
24  B10R1.22  CC1=CC(O)=CC(C)=C1Cl D03473 [0,2,0,0,0,0|1,0,0]=3
25  B10R1.118  OC1=C(Cl)C=C(Cl)C(Cl)=C1 D06224 [0,2,0,0,0,0|1,0,0]=3
26  B10R1.119  [*]C1=C([*])C([*])=C(O)C=C1 D01960 [0,2,0,0,0,0|1,0,0]=3