0  B7R0.1  CCCCCCCO TN6893 [1,0,0,0,0,0|0,0,3]=4
1  B9R0.2  C/C=C/C=C/C=C/C(O)=O T33059 [0,1,0,0,0,0|0,0,3]=4
2  B9R0.2  CCCCC/C=C/C(O)=O T5261 [0,1,0,0,0,0|0,0,3]=4
3  B9R0.45  CCCC/C=C\CCCC T31276 [0,1,0,0,0,0|1,0,2]=4
4  B9R1.8  CCOc1ccccc1 T19753 [0,0,0,1,0,0|2,0,1]=4
5  B9R1.8  CNCc1ccccc1 T8016 [0,0,0,1,0,0|2,0,1]=4
6  B9R1.8  NCCc1ccccc1 T2935 [0,0,0,1,0,0|2,0,1]=4
7  B9R1.8  NCCc1ccccc1 T7433 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.8  NCCc1ccccn1 T22501 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.8  OCCc1ccccc1 T0011 [0,0,0,1,0,0|2,0,1]=4
10  B9R1.8  OCCc1ccccn1 T0658 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.15  COc1ccccc1O T1301 [0,0,0,1,0,0|1,0,2]=4
12  B9R1.15  NCc1ccccc1O T41358 [0,0,0,1,0,0|1,0,2]=4
13  B9R1.15  OCc1ccccc1O T0311 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.50  OC1CCC/C=C/CC1 T18751 [0,0,0,1,0,0|0,0,2]=3
15  B9R1.50  O[C@@H]1CCC/C=C/CC1 T18648 [0,0,0,1,0,0|0,0,2]=3
16  B6R0.6  CC/C=C\CCO T22295 [2,0,0,0,0,0|0,0,1]=3
17  B6R0.6  CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,1]=3
18  B6R0.6  CCC/C=C/CO TN5162 [2,0,0,0,0,0|0,0,0]=2
19  B6R0.6  CCCCCCO TN6891 [2,0,0,0,0,0|0,0,2]=4
20  B10R0.71  CCCCC/C=C/C=C/C=O T9506 [0,2,0,0,0,0|0,0,2]=4
21  B8R1.2  OCc1ccccc1 T0732 [1,0,0,1,0,0|0,0,2]=4
22  B8R1.2  OCc1ccccn1 T1112 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.2  OCc1cccnc1 T1299 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.5  Cc1ncccc1O T5901 [1,0,0,1,0,0|1,0,1]=4
25  B10R1.10  CCOc1cccc(O)c1 T20297 [0,1,0,1,0,0|1,0,1]=4
26  B10R1.10  NCCc1cccc(O)c1 T11937 [0,1,0,1,0,0|1,0,1]=4
27  B10R1.10  NCCc1cccc(O)c1 T11937L [0,1,0,1,0,0|1,0,1]=4
28  B10R1.18  CC(N)Cc1ccccc1 T25082 [0,1,0,1,0,0|1,0,1]=4
29  B10R1.18  C[C@H](N)Cc1ccccc1 T31405L2 [0,1,0,1,0,0|1,0,1]=4
30  B10R1.11  CCCC(=O)c1cccs1 T20377 [0,1,0,1,0,0|0,1,1]=4
31  B10R1.21  CCCCCc1ccco1 TCS0324 [0,1,0,1,0,0|0,0,2]=4
32  B10R1.25  CCc1ccc(C)cc1O T29345 [0,1,0,1,0,0|0,0,2]=4
33  B10R1.4  CSCc1ccccc1O T33357 [0,1,0,1,0,0|0,0,2]=4
34  B10R1.17  CCOCc1ccccc1 T36790 [0,1,0,1,0,0|1,0,1]=4
35  B10R1.17  CNCCc1ccccn1 T0246 [0,1,0,1,0,0|1,0,1]=4
36  B10R1.17  CNCCc1ccccn1 T0246L [0,1,0,1,0,0|1,0,1]=4
37  B10R1.17  CNCCc1ccccn1 T4195 [0,1,0,1,0,0|1,0,1]=4
38  B10R1.17  OCCCc1ccccc1 T3754 [0,1,0,1,0,0|1,0,1]=4
39  B10R2.7  C1Cc2ccccc2O1 Fr14127 [0,0,0,2,0,0|0,0,2]=4