0  B10R1.20  CCc1ccccc1C=O LS00084 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.20  COc1c(cccn1)C=O LS21173 [0,0,0,0,0,0|2,1,1]=4
2  B10R1.20  COc1ccccc1CCl LS10029 [0,0,0,0,0,0|3,1,0]=4
3  B10R1.20  COc1ccccc1OC LS11385 [0,0,0,0,0,0|3,1,0]=4
4  B9R1.15  CCc1c(cncn1)F LS20618 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.15  COc1c(cccn1)I LS20331 [1,0,0,0,0,0|2,1,0]=4
6  B9R1.15  COc1cccnc1Br LS20368 [1,0,0,0,0,0|2,1,0]=4
7  B9R1.15  CSc1ccccc1Br LS11369 [1,0,0,0,0,0|3,0,0]=4
8  B9R1.15  Cc1ccccc1CBr LS11262 [1,0,0,0,0,0|3,0,0]=4
9  B9R1.15  Cc1ccccc1CN LS11218 [1,0,0,0,0,0|3,0,0]=4
10  B9R1.15  Cc1ccccc1CO LS11274 [1,0,0,0,0,0|3,0,0]=4
11  B9R1.15  c1cc(c(nc1)CO)O LS20165 [1,0,0,0,0,0|2,1,0]=4
12  B9R1.15  c1cc(c(nc1)Cl)CO LS20227 [1,0,0,0,0,0|3,0,0]=4
13  B9R1.15  c1cc(c(nc1)N)CO LS41435 [1,0,0,0,0,0|3,0,0]=4
14  B11R1.41  COc1ccccc1CCO LS11834 [0,1,0,0,0,0|2,1,0]=4
15  B11R2.20  c1cc2c(nc1)CCCC2 LS40266 [0,0,0,1,0,0|2,0,0]=3
16  B11R2.20  c1ccc2c(c1)CCCC2 LS40429 [0,0,0,1,0,0|3,0,0]=4
17  B8R1.2  CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4
18  B8R1.2  c1cnc(cn1)CN LS20127 [2,0,0,0,0,0|1,0,0]=3
19  B8R1.2  c1cnc(cn1)CN LS20128 [2,0,0,0,0,0|1,0,0]=3
20  B8R1.5  Cc1c(cccn1)Br LS20529 [2,0,0,0,0,0|2,0,0]=4
21  B8R1.5  Cc1c(cccn1)F LS00100 [2,0,0,0,0,0|2,0,0]=4
22  B8R1.5  Cc1c(cccn1)O LS20321 [2,0,0,0,0,0|1,1,0]=4
23  B8R1.5  Cc1c(nccn1)Cl LS20451 [2,0,0,0,0,0|1,0,0]=3
24  B8R1.5  Cc1cccnc1Br LS20246 [2,0,0,0,0,0|2,0,0]=4
25  B8R1.5  Cc1cccnc1F LS20403 [2,0,0,0,0,0|2,0,0]=4
26  B8R1.5  Cc1cccnc1N LS20579 [2,0,0,0,0,0|2,0,0]=4
27  B8R1.5  Cc1cccnc1O LS20286 [2,0,0,0,0,0|1,1,0]=4
28  B8R1.5  c1cnc(c(n1)N)Cl LS21181 [2,0,0,0,0,0|2,0,0]=4
29  B10R1.4  Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|2,0,0]=4
30  B10R2.7  c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|2,0,0]=4
31  B12R2.1081  c1cc2c(nc1)C(=O)CCC2 LS40612 [0,1,0,1,0,0|2,0,0]=4
32  B12R2.1081  c1cc2c(nc1)C(CCC2)N LS40643 [0,1,0,1,0,0|2,0,0]=4
33  B12R2.1081  c1cc2c(nc1)C(CCC2)O LS40150 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.11  Cn1ccnc1CO LS20254 [1,0,0,0,1,0|2,0,0]=4