0  B12R1.121  COc1ccccc1OCCBr AS04182 [0,0,0,0,0,0|2,0,2]=4
1  B11R1.41  CCOc1ccccc1OC AS02564 [1,0,0,0,0,0|1,0,2]=4
2  B11R1.41  COc1ccccc1CC#N AS01652 [1,0,0,0,0,0|1,0,2]=4
3  B13R1.464  CCOC(=O)c1ccccc1OC AS01113 [0,1,0,0,0,0|2,0,1]=4
4  B13R2.33  c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,0,0,1,0,0|1,0,2]=4
5  B13R2.1613  c1ccc2c(c1)cccc2CBr AS02445 [0,0,0,1,0,0|3,0,0]=4
6  B10R1.17  c1ccc(cc1)C#CC=O AS06906 [2,0,0,0,0,0|0,0,2]=4
7  B10R1.20  CCc1ccccc1C=O AS04433 [2,0,0,0,0,0|1,0,0]=3
8  B10R1.20  CCc1ccccc1OC AS02573 [2,0,0,0,0,0|0,0,2]=4
9  B10R1.20  COc1ccccc1CCl AS05988 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.20  COc1ccccc1CO AS03989 [2,0,0,0,0,0|0,0,2]=4
11  B10R1.20  COc1ccccc1NN AS02474 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.20  COc1ccccc1NN AS06157 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.20  COc1ccccc1OC AS06960 [2,0,0,0,0,0|1,0,1]=4
14  B10R1.20  COc1ccccc1SC AS04294 [2,0,0,0,0,0|1,0,1]=4
15  B10R1.20  c1ccc(c(c1)C=O)C=O AS03002 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.125  Cc1ccccc1C=CC(=O)O AS00517 [1,1,0,0,0,0|0,0,0]=2
17  B12R1.125  Cc1ccccc1CCC(=O)O AS00516 [1,1,0,0,0,0|0,0,2]=4
18  B12R1.125  c1ccc(c(c1)C=CC(=O)O)Br AS03176 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.125  c1ccc(c(c1)C=CC(=O)O)Cl AS02690 [1,1,0,0,0,0|1,0,0]=3
20  B12R1.125  c1ccc(c(c1)C=CC(=O)O)F AS01282 [1,1,0,0,0,0|1,0,0]=3
21  B12R1.125  c1ccc(c(c1)C=CC(=O)O)I AS02226 [1,1,0,0,0,0|1,0,0]=3
22  B12R1.75  CC(=O)Nc1ccccc1OC AS00985 [1,1,0,0,0,0|1,0,0]=3
23  B12R1.77  COc1ccccc1C(=O)CBr AS05121 [1,1,0,0,0,0|1,0,1]=4
24  B12R1.77  COc1ccccc1C(=O)NN AS01116 [1,1,0,0,0,0|2,0,0]=4
25  B14R1.1600  COc1cc(ccc1C=CC(=O)O)F AS02615 [0,2,0,0,0,0|0,0,0]=2
26  B14R1.1865  COc1ccc(cc1C=CC(=O)O)F AS02617 [0,2,0,0,0,0|0,0,0]=2
27  B12R1.78  COc1ccc(c(c1)C#N)C=O AS06463 [0,0,1,1,0,0|1,0,1]=4
28  B12R1.78  COc1ccc(c(c1)OC)C=O AS02817 [0,0,1,1,0,0|1,0,1]=4
29  B12R2.24  c1ccc2cc(ccc2c1)Br AS02431 [1,0,0,1,0,0|1,0,1]=4
30  B12R2.1081  c1ccc2c(c1)cccc2Cl AS02472 [1,0,0,1,0,0|2,0,0]=4
31  B12R2.1081  c1ccc2c(c1)cccc2F AS02917 [1,0,0,1,0,0|2,0,0]=4
32  B12R2.1081  c1ccc2c(c1)cccc2I AS06208 [1,0,0,1,0,0|2,0,0]=4
33  B12R2.1081  c1ccc2c(c1)cccc2N AS02473 [1,0,0,1,0,0|2,0,0]=4
34  B14R2.781  CC(=O)c1ccc2ccccc2c1 AS01574 [0,1,0,1,0,0|1,0,1]=4
35  B14R2.781  c1ccc2c(c1)OC[C@@H](O2)C(=O)O AS06640 [0,1,0,1,0,0|1,0,1]=4