0  B8R1.8  NCCC1=CSC=N1 T29422 [0,0,0,0,0,0|4,0,0]=4
1  B8R1.8  NCCc1c[nH]cn1 T0965 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.8  NCCc1c[nH]cn1 T6535 [0,0,0,0,0,0|4,0,0]=4
3  B8R1.8  NCCc1cc[nH]n1 T8599 [0,0,0,0,0,0|4,0,0]=4
4  B8R1.8  NCCc1cnc[nH]1 T6534 [0,0,0,0,0,0|4,0,0]=4
5  B7R1.1  COc1ccoc1 TN2959 [1,0,0,0,0,0|2,1,0]=4
6  B9R1.11  COC(=O)c1ccco1 T8022 [0,1,0,0,0,0|0,1,1]=3
7  B9R1.12  CNCCc1c[nH]cn1 T23038 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.13  C[C@@H](N)Cc1c[nH]cn1 T24698 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.13  C[C@@H](N)Cc1cnc[nH]1 T12630 [0,1,0,0,0,0|3,0,0]=4
10  B9R1.8  CCOc1ccccc1 T19753 [0,0,0,0,0,1|3,0,0]=4
11  B9R1.8  CNCc1ccccc1 T8016 [0,0,0,0,0,1|2,0,0]=3
12  B9R1.8  NCCc1ccccc1 T2935 [0,0,0,0,0,1|3,0,0]=4
13  B9R1.8  NCCc1ccccc1 T7433 [0,0,0,0,0,1|3,0,0]=4
14  B9R1.8  NCCc1ccccn1 T22501 [0,0,0,0,0,1|3,0,0]=4
15  B9R1.8  O=CCc1ccccc1 TCS1857 [0,0,0,0,0,1|3,0,0]=4
16  B9R1.8  OCCc1ccccc1 T0011 [0,0,0,0,0,1|3,0,0]=4
17  B9R1.8  OCCc1ccccn1 T0658 [0,0,0,0,0,1|3,0,0]=4
18  B6R0.6  CC/C=C\CCO T22295 [1,0,1,0,0,0|0,0,2]=4
19  B6R0.6  CCC/C=C/C=O T8099 [1,0,1,0,0,0|0,0,2]=4
20  B6R0.6  CCC/C=C/CO TN5162 [1,0,1,0,0,0|0,0,2]=4
21  B6R1.2  C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,1]=4
22  B8R1.1  Cc1ccc(C=O)o1 TCP2934 [1,1,0,0,0,0|0,1,1]=4
23  B8R1.1  NCc1cc(=O)[nH]o1 T20657 [1,1,0,0,0,0|2,0,0]=4
24  B8R1.7  CC(=O)c1cccs1 T29331 [1,1,0,0,0,0|0,1,1]=4
25  B8R1.7  OC(=O)c1ccco1 T5544 [1,1,0,0,0,0|0,1,1]=4
26  B8R1.11  CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4
27  B10R1.4  CSCc1ccccc1O T33357 [0,1,0,0,0,1|1,0,0]=3
28  B10R1.17  CCOCc1ccccc1 T36790 [0,1,0,0,0,1|1,1,0]=4
29  B10R1.17  CNCCc1ccccn1 T0246 [0,1,0,0,0,1|2,0,0]=4
30  B10R1.17  CNCCc1ccccn1 T0246L [0,1,0,0,0,1|2,0,0]=4
31  B10R1.17  CNCCc1ccccn1 T4195 [0,1,0,0,0,1|2,0,0]=4
32  B10R1.17  OCCCc1ccccc1 T3754 [0,1,0,0,0,1|2,0,0]=4
33  B10R1.18  CC(N)Cc1ccccc1 T25082 [0,1,0,0,0,1|2,0,0]=4
34  B10R1.18  C[C@H](N)Cc1ccccc1 T31405L2 [0,1,0,0,0,1|2,0,0]=4
35  B10R1.11  CCCC(=O)c1cccs1 T20377 [0,2,0,0,0,0|1,1,0]=4
36  B10R1.21  CCCCCc1ccco1 TCS0324 [0,2,0,0,0,0|1,0,0]=3
37  B10R1.66  CC(=O)OCc1ccco1 T8088 [0,2,0,0,0,0|0,1,0]=3
38  B10R1.66  NC(=N)SCc1cccs1 T34911 [0,2,0,0,0,0|0,1,1]=4
39  B8R1.5  Cc1ncccc1O T5901 [0,0,1,1,0,0|2,0,0]=4
40  B8R1.4  Cc1cccc(O)c1 T33229 [0,0,1,1,0,0|1,0,1]=4