0  B9R1.69  Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|4,0,0]=4
1  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.69  NC1=C(O)C=C(F)C=C1 T1370 [0,0,0,0,0,0|2,1,0]=3
3  B8R1.3  Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.3  Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.4  Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.5  Nc1ncccc1O T7923 [1,0,0,0,0,0|1,0,1]=3
7  B8R1.5  O=c1ccocc1O TL0015 [1,0,0,0,0,0|2,0,0]=3
8  B8R1.5  ON1C=CC=CC1=S T12593 [1,0,0,0,0,0|2,1,0]=4
9  B10R1.22  CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.119  Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.176  O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.6  NC(=O)\C=C/C(=O)O T4905 [1,0,1,0,0,0|2,0,0]=4
13  B7R1.3  CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,1]=4
14  B7R1.3  Clc1cnccn1 T2193 [2,0,0,0,0,0|1,0,1]=4
15  B9R1.1  O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|2,0,0]=4
16  B9R1.2  O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|2,0,0]=4
17  B9R1.2  OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|2,0,0]=4
18  B9R1.3  Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.3  OC1=CC=CC(O)=C1O T3749 [1,1,0,0,0,0|2,0,0]=4
20  B9R1.34  Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.15  COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.15  COc1ccccc1O T3267 [1,1,0,0,0,0|1,0,1]=4
23  B9R1.15  OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.22  CC1=CC(C)=C(C=O)N1 T21347 [0,1,0,0,1,0|2,0,0]=4
25  B11R1.14  O=C1C(Cl)=CC(=NCl)C=C1Cl T7852 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.464  O=Cc1c(O)cc(O)cc1O TN1206 [0,2,0,0,0,0|2,0,0]=4
27  B11R1.166  CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|2,0,0]=4
28  B11R1.166  CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|2,0,0]=4
29  B11R1.166  NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,2,0,0,0,0|2,0,0]=4
30  B11R1.166  Nc1ccc(C(=O)O)c(O)c1 T1296 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.166  Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,2,0,0,0,0|2,0,0]=4
32  B11R1.166  O=C(O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|1,0,0]=3
33  B11R1.166  O=C(O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.279  COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|2,0,0]=4
35  B11R1.167  Nc1ccc(Cl)cc1C(=O)O T0567 [0,2,0,0,0,0|2,0,0]=4
36  B9R1.5  O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|2,0,0]=4
37  B7R1.2  O=C1C=CC(=O)N1 T4820 [1,0,0,0,1,0|1,0,0]=3
38  B7R1.15  O=C1C=C([O-])C1=O T13777 [0,0,0,0,2,0|1,0,1]=4