0  B7R1.2  Cc1cc(N)no1 T0644 [1,0,0,0,0,0|2,0,0]=3
1  B7R1.4  C=C1CCOC1=O T5320 [1,0,0,0,0,0|2,0,1]=4
2  B9R1.37  CC1=C(O)C(=O)C(C)O1 T5547 [0,1,0,0,0,0|0,0,0]=1
3  B7R1.15  O=C1C=C([O-])C1=O T13777 [0,0,0,0,1,0|1,0,2]=4
4  B9R1.3  Cc1cccc(O)c1O T3742 [0,0,0,0,0,1|1,0,2]=4
5  B9R1.3  Cc1occc(=O)c1O T5545 [0,0,0,0,0,1|0,0,1]=2
6  B9R1.69  CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,1|2,0,1]=4
7  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,1|1,0,2]=4
8  B6R0.4  CSCCC(=O)O T5285 [1,0,1,0,0,0|2,0,0]=4
9  B6R0.4  O=CNCC(=O)O T4741 [1,0,1,0,0,0|2,0,0]=4
10  B6R0.3  CC(=O)\C(C)=N\O T2176 [1,0,1,0,0,0|2,0,0]=4
11  B6R0.3  CCC(=O)C(=O)O T5060 [1,0,1,0,0,0|0,0,2]=4
12  B6R0.3  C\C=C(/C)C(=O)O T5542 [1,0,1,0,0,0|1,0,0]=3
13  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,0,1,0,0,0|1,0,0]=3
14  B6R0.3  O=C(O)C(=O)CBr T5882 [1,0,1,0,0,0|2,0,0]=4
15  B6R0.2  CC(C)=CC(=O)O T5305 [1,0,1,0,0,0|2,0,0]=4
16  B8R1.1  NCC1=CC(=O)NO1 T20657 [1,1,0,0,0,0|1,0,0]=3
17  B8R1.18  CC1=CC(=O)C(C)O1 T22309 [1,1,0,0,0,0|0,0,0]=2
18  B10R1.2  CCc1occc(=O)c1O T5566 [0,1,0,0,0,1|0,0,1]=3
19  B10R1.119  Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,1|1,0,1]=4