0  B9R1.12  CNCCc1c[nH]cn1 T23038 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.8  NCCC1=CSC=N1 T29422 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.8  NCCc1c[nH]cn1 T0965 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.8  NCCc1c[nH]cn1 T6535 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.8  NCCc1cc[nH]n1 T8599 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.8  NCCc1cnc[nH]1 T6534 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.11  CCCC(=O)c1cccs1 T20377 [0,1,0,0,0,0|0,1,1]=3
7  B10R1.21  CCCCCc1ccco1 TCS0324 [0,1,0,0,0,0|0,0,0]=1
8  B10R1.27  N[C@H](CO)Cc1c[nH]cn1 T4899 [0,1,0,0,0,0|3,0,0]=4
9  B10R1.66  CC(=O)OCc1ccco1 T8088 [0,1,0,0,0,0|1,0,1]=3
10  B10R1.66  OC(=O)CCc1ccc[nH]1 T21185 [0,1,0,0,0,0|2,0,1]=4
11  B10R1.17  CCOCc1ccccc1 T36790 [0,0,0,0,0,1|2,0,0]=3
12  B10R1.17  CNCCc1ccccn1 T0246 [0,0,0,0,0,1|2,0,0]=3
13  B10R1.17  CNCCc1ccccn1 T0246L [0,0,0,0,0,1|2,0,0]=3
14  B10R1.17  CNCCc1ccccn1 T4195 [0,0,0,0,0,1|2,0,0]=3
15  B10R1.17  NNCCc1ccccc1 T12441 [0,0,0,0,0,1|3,0,0]=4
16  B10R1.17  NNCCc1ccccc1 T50010 [0,0,0,0,0,1|3,0,0]=4
17  B10R1.17  O=CCCc1ccccc1 T20312 [0,0,0,0,0,1|2,0,1]=4
18  B10R1.17  OCCCc1ccccc1 T3754 [0,0,0,0,0,1|2,0,0]=3
19  B10R1.17  OCCOc1ccccc1 T20293 [0,0,0,0,0,1|3,0,0]=4
20  B9R0.2  CCCCC/C=C/C(O)=O T5261 [0,1,1,0,0,0|0,0,1]=3
21  B9R1.11  COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.13  C[C@@H](N)Cc1c[nH]cn1 T24698 [1,1,0,0,0,0|2,0,0]=4
23  B9R1.13  C[C@@H](N)Cc1cnc[nH]1 T12630 [1,1,0,0,0,0|2,0,0]=4
24  B11R1.1  CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,1|2,0,0]=4
25  B11R1.1  COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.1  OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.16  CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,1|1,0,1]=4
28  B11R1.24  CNCCc1cccc(O)c1 T34003 [0,1,0,0,0,1|2,0,0]=4
29  B11R1.28  OCCCCc1ccccc1 T20370 [0,1,0,0,0,1|1,0,0]=3
30  B11R1.28  OCCOCc1ccccc1 T14013 [0,1,0,0,0,1|2,0,0]=4
31  B11R1.28  OCCSCc1ccncc1 T34331 [0,1,0,0,0,1|2,0,0]=4
32  B11R1.91  CC(=O)CCc1ccccc1 TCS1709 [0,1,0,0,0,1|1,0,1]=4
33  B11R1.4  CCOCCCc1cnc[nH]1 T31884 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.4  NCCCCCc1cnc[nH]1 T22866 [0,2,0,0,0,0|2,0,0]=4
35  B9R1.2  CCc1cccc(O)c1 T21170 [0,0,1,1,0,0|0,0,2]=4
36  B11R2.4  N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,1|2,0,0]=4
37  B11R2.4  N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,1|2,0,0]=4