0  B6R1.2  C[C-]1C=CC=C1 T20558 [1,0,0,0,0,0|1,0,1]=3
1  B6R1.2  Cn1ccnc1 T0575 [1,0,0,0,0,0|2,0,0]=3
2  B8R1.11  CSc1nccn1C T8612 [0,1,0,0,0,0|3,0,0]=4
3  B6R0.3  CC(=O)\C(C)=N\O T2176 [0,0,1,0,0,0|2,1,0]=4
4  B6R0.3  C\C=C(/C)C(=O)O T5542 [0,0,1,0,0,0|3,0,0]=4
5  B6R0.3  C\C=C(\C)C(=O)O T3328 [0,0,1,0,0,0|3,0,0]=4
6  B8R1.4  Oc1cccc(O)n1 T4720 [0,0,0,0,0,1|3,0,0]=4
7  B8R1.5  Nc1ccncc1N T4497 [0,0,0,0,0,1|3,0,0]=4
8  B8R1.5  Nc1ncccc1O T7923 [0,0,0,0,0,1|3,0,0]=4
9  B8R1.5  O=c1ccocc1O TL0015 [0,0,0,0,0,1|2,1,0]=4
10  B5R0.1  CC(C)=CCO T4747 [1,0,1,0,0,0|2,0,0]=4
11  B5R1.1  C1=CON=C1 T7500 [2,0,0,0,0,0|1,1,0]=4
12  B5R1.1  C1=C[CH-]C=C1 T20786 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.4  C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|2,0,0]=4
14  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|2,0,0]=4
15  B7R1.2  Cc1cc(N)no1 T0644 [1,1,0,0,0,0|2,0,0]=4
16  B7R1.15  O=C1C=C([O-])C1=O T13777 [0,1,0,0,1,0|2,0,0]=4
17  B9R1.2  CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|1,0,0]=3
18  B9R1.2  OCc1cccc(O)c1 T4760 [0,1,0,0,0,1|2,0,0]=4
19  B9R1.3  Cc1cccc(O)c1O T3742 [0,1,0,0,0,1|2,0,0]=4
20  B9R1.34  Cc1cc(O)cc(O)c1 T3748 [0,1,0,0,0,1|2,0,0]=4
21  B9R1.69  Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,1|2,0,0]=4
22  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,1|2,0,0]=4
23  B9R1.15  COc1ccccc1O T1301 [0,1,0,0,0,1|2,0,0]=4
24  B9R1.15  COc1ccccc1O T3267 [0,1,0,0,0,1|2,0,0]=4
25  B9R1.15  OCc1ccccc1O T0311 [0,1,0,0,0,1|2,0,0]=4
26  B9R1.33  Cn1cncc1CCN T4940 [0,2,0,0,0,0|2,0,0]=4