0  B7R1.4  C=C1CCOC1=O T5320 [0,0,0,0,0,0|2,0,2]=4
1  B6R1.2  C[C-]1C=CC=C1 T20558 [1,0,0,0,0,0|1,0,1]=3
2  B6R1.2  Cn1ccnc1 T0575 [1,0,0,0,0,0|3,0,0]=4
3  B6R1.2  Nc1nccs1 T0495 [1,0,0,0,0,0|2,1,0]=4
4  B8R1.11  CSc1nccn1C T8612 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.18  C=C1CC(=O)OC1=O T5321 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.18  CC1=CC(=O)C(C)O1 T22309 [0,1,0,0,0,0|0,1,1]=3
7  B6R0.3  C\C=C(/C)C(=O)O T5542 [0,0,1,0,0,0|2,0,1]=4
8  B6R0.3  C\C=C(\C)C(=O)O T3328 [0,0,1,0,0,0|2,0,1]=4
9  B8R1.4  Oc1cccc(O)n1 T4720 [0,0,0,0,0,1|2,1,0]=4
10  B8R1.5  Nc1ccncc1N T4497 [0,0,0,0,0,1|3,0,0]=4
11  B8R1.5  Nc1ncccc1O T7923 [0,0,0,0,0,1|2,1,0]=4
12  B8R1.5  O=c1ccocc1O TL0015 [0,0,0,0,0,1|1,1,0]=3
13  B5R0.1  CC(C)=CCO T4747 [1,0,1,0,0,0|1,0,1]=4
14  B5R0.1  C\C=C\C(=O)O T5301 [1,0,1,0,0,0|1,0,1]=4
15  B5R1.1  C1=CON=C1 T7500 [2,0,0,0,0,0|1,0,0]=3
16  B5R1.1  C1=C[CH-]C=C1 T20786 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.4  C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|1,1,0]=4
18  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,1,0]=4
19  B7R1.2  Cc1cc(N)no1 T0644 [1,1,0,0,0,0|1,0,0]=3
20  B7R1.2  Cn1ccc(N)n1 T3295 [1,1,0,0,0,0|2,0,0]=4
21  B7R1.2  O=C1C=CC(=O)N1 T4820 [1,1,0,0,0,0|2,0,0]=4
22  B7R1.15  O=C1C=C([O-])C1=O T13777 [0,1,0,0,1,0|1,1,0]=4
23  B9R1.2  CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|2,0,0]=4
24  B9R1.2  OCc1cccc(O)c1 T4760 [0,1,0,0,0,1|1,1,0]=4
25  B9R1.3  Cc1cccc(O)c1O T3742 [0,1,0,0,0,1|1,1,0]=4
26  B9R1.3  Cc1occc(=O)c1O T5545 [0,1,0,0,0,1|0,1,0]=3
27  B9R1.34  Cc1cc(O)cc(O)c1 T3748 [0,1,0,0,0,1|1,1,0]=4
28  B9R1.69  Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,1|2,0,0]=4
29  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,1|1,1,0]=4
30  B9R1.15  COc1ccccc1O T1301 [0,1,0,0,0,1|1,1,0]=4
31  B9R1.15  COc1ccccc1O T3267 [0,1,0,0,0,1|1,1,0]=4
32  B9R1.15  OCc1ccccc1O T0311 [0,1,0,0,0,1|1,1,0]=4
33  B9R1.37  CC1=C(O)C(=O)C(C)O1 T5547 [0,2,0,0,0,0|0,1,1]=4
34  B7R1.3  CC1=NC=CC=C1 T21323 [0,0,1,1,0,0|2,0,0]=4