0  B11R1.166  CC1=CC(O)=C(C(C)C)C=C1 DB02513 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.166  NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,0,0,0,0,0|3,0,1]=4
2  B11R1.166  O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,0,0,0,0,0|3,0,1]=4
3  B10R1.13  CC(C)C1=CC=C(N)C=C1 DB02114 [1,0,0,0,0,0|1,0,0]=2
4  B10R1.25  OCC1=C(Cl)C=C(Cl)C=C1 DB13269 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.25  OCC1=CC=C(F)C=C1F DB04448 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.61  NC(=O)C1=CC=CC=C1O DB08797 [1,0,0,0,0,0|2,0,1]=4
7  B10R1.61  O=C(O)C1=CC=CC=C1O DB00936 [1,0,0,0,0,0|2,0,1]=4
8  B10R1.61  O=C(O)C1=CC=CC=C1O DB11079 [1,0,0,0,0,0|2,0,1]=4
9  B10R1.61  O=C([O-])C1=CC=CC=C1O DB01397 [1,0,0,0,0,0|2,0,1]=4
10  B10R1.61  O=C([O-])C1=CC=CC=C1O DB01401 [1,0,0,0,0,0|2,0,1]=4
11  B10R1.61  O=C([O-])C1=CC=CC=C1O DB14006 [1,0,0,0,0,0|2,0,1]=4
12  B9R1.1  COC1=CC=C(O)C=C1 DB09516 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.1  OCC1=CC=C(Br)C=C1 DB02822 [2,0,0,0,0,0|2,0,0]=4
14  B9R1.1  [NH3+]CC1=CC=C(F)C=C1 DB03243 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.6  CC(=O)C1=CC=CC=C1 DB04619 [2,0,0,0,0,0|1,0,1]=4
16  B9R1.6  C[C@@H](O)C1=CC=CC=C1 DB04784 [2,0,0,0,0,0|1,0,0]=3
17  B9R1.15  COC1=C(O)C=CC=C1 DB11359 [2,0,0,0,0,0|1,0,0]=3
18  B9R1.15  NC1=CC=CC=C1CO DB03058 [2,0,0,0,0,0|2,0,0]=4
19  B9R1.15  SCC1=CC=CC=C1I DB03630 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.69  CC1=CC=C(C)C(N)=C1 DB02163 [2,0,0,0,0,0|1,0,0]=3
21  B9R1.69  CC1=CC=C(N)C=C1C DB03018 [2,0,0,0,0,0|2,0,0]=4
22  B9R1.69  CC1=CC=C(O)C(N)=C1 DB04533 [2,0,0,0,0,0|2,0,0]=4
23  B9R1.69  CC1=CC=C(O)C(O)=C1 DB04120 [2,0,0,0,0,0|1,0,0]=3
24  B9R1.69  CC1=CC=C(O)C=C1C DB04052 [2,0,0,0,0,0|2,0,0]=4
25  B11R1.53  COC1=NC=CN=C1C(C)C DB01760 [1,1,0,0,0,0|2,0,0]=4
26  B11R1.222  COC(=O)C1=CC=CC=C1O DB09543 [1,1,0,0,0,0|1,0,1]=4
27  B11R1.20  CC(N)CC1=CC=C(O)C=C1 DB09352 [1,0,0,0,0,1|2,0,0]=4