0  B7R1.2  CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|2,0,0]=3
1  B7R1.2  Cc1cc(N)no1 T0644 [1,0,0,0,0,0|2,0,0]=3
2  B7R1.2  O=C1CCC(=O)O1 T18723 [1,0,0,0,0,0|3,0,0]=4
3  B7R1.4  C=C1CCOC1=O T5320 [1,0,0,0,0,0|2,0,1]=4
4  B7R1.4  CC1OCCC1=O T8050 [1,0,0,0,0,0|0,0,3]=4
5  B9R1.37  CC1OC(=O)C(O)=C1C TN7031 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.37  CC1OC(C)=C(O)C1=O T5547 [0,1,0,0,0,0|0,0,0]=1
7  B7R0.10  CCC(O)C(=O)CC T20376 [0,0,1,0,0,0|1,0,2]=4
8  B7R0.10  [Li]OC(=O)C(=O)CO T19364 [0,0,1,0,0,0|2,0,1]=4
9  B7R0.16  OC(=O)C(=O)C(O)=O T25792 [0,0,1,0,0,0|2,0,1]=4
10  B7R1.15  [O-]c1cc(=O)c1=O T13777 [0,0,0,0,1,0|1,0,2]=4
11  B9R1.3  Cc1cccc(O)c1O T3742 [0,0,0,0,0,1|1,0,2]=4
12  B9R1.3  Cc1occc(=O)c1O T5545 [0,0,0,0,0,1|0,0,1]=2
13  B9R1.3  Cc1occc(=O)c1[O-] T27398 [0,0,0,0,0,1|0,0,2]=3
14  B9R1.69  Cc1c[nH]c(=O)[nH]c1=O TWO2759 [0,0,0,0,0,1|2,0,1]=4
15  B9R1.69  Cc1c[nH]c(=O)nc1N T5270 [0,0,0,0,0,1|3,0,0]=4
16  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,1|1,0,2]=4
17  B9R1.69  Cc1n[nH]c(=O)[nH]c1=O T8648 [0,0,0,0,0,1|2,0,1]=4
18  B9R1.69  Oc1cc(=O)[nH]cc1Cl T0987 [0,0,0,0,0,1|3,0,0]=4
19  B6R0.4  CCOCC(O)=O T37501 [1,0,1,0,0,0|0,0,1]=3
20  B6R0.4  COCCC(O)=O T20899 [1,0,1,0,0,0|2,0,0]=4
21  B6R0.4  CSCCC(O)=O T5285 [1,0,1,0,0,0|2,0,0]=4
22  B6R0.4  OC(=O)CCC=C T8032 [1,0,1,0,0,0|1,0,1]=4
23  B6R0.4  OC(=O)CNC=O T4741 [1,0,1,0,0,0|2,0,0]=4
24  B6R0.3  C/C=C(/C)C(O)=O T3328 [1,0,1,0,0,0|1,0,0]=3
25  B6R0.3  C/C=C(\C)C(O)=O T5542 [1,0,1,0,0,0|1,0,0]=3
26  B6R0.3  CC(=O)C(/C)=N/O T2176 [1,0,1,0,0,0|2,0,0]=4
27  B6R0.3  CCC(=O)C(O)=O T5060 [1,0,1,0,0,0|0,0,2]=4
28  B6R0.3  OC(=O)C(=O)CBr T5882 [1,0,1,0,0,0|2,0,0]=4
29  B6R0.3  OCC(=O)C(O)=O T19365 [1,0,1,0,0,0|1,0,0]=3
30  B6R0.2  CC(C)=CC(O)=O T5305 [1,0,1,0,0,0|2,0,0]=4
31  B8R1.1  NCc1cc(=O)[nH]o1 T20657 [1,1,0,0,0,0|1,0,0]=3
32  B8R1.1  NCc1cc(=O)[nH]s1 T28965 [1,1,0,0,0,0|1,1,0]=4
33  B8R1.18  CC1=CC(=O)OC1=O TN6957 [1,1,0,0,0,0|2,0,0]=4
34  B8R1.18  CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|0,0,0]=2
35  B10R1.2  CCc1occc(=O)c1O T5566 [0,1,0,0,0,1|0,0,1]=3
36  B10R1.119  Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,1|1,0,1]=4
37  B10R1.25  Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,1|1,0,1]=4
38  B10R1.256  COC1=C(C)OC(C)C1=O TN6839 [0,2,0,0,0,0|0,0,0]=2