0  B11R1.41  CCNc1ccccc1CC CSC000221538 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.41  CCNc1ccccc1OC CSC000219754 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.41  CCNc1ncccc1C#N CSC000156588 [0,0,0,0,0,0|3,0,1]=4
3  B11R1.41  CCNc1ncccc1OC CSC011290862 [0,0,0,0,0,0|3,0,0]=3
4  B11R1.41  CCOc1ccccc1CO CSC000708577 [0,0,0,0,0,0|3,0,0]=3
5  B11R1.41  CCOc1ccccc1OC CSC000005897 [0,0,0,0,0,0|3,0,0]=3
6  B11R1.41  CCOc1ccccc1SC CSC010366423 [0,0,0,0,0,0|3,0,0]=3
7  B11R1.41  CCSc1ccccc1OC CSC000055740 [0,0,0,0,0,0|3,1,0]=4
8  B10R1.4  CCOc1ccccc1Cl CSC000169953 [1,0,0,0,0,0|3,0,0]=4
9  B10R1.4  CCOc1ccccc1F CSC000172994 [1,0,0,0,0,0|3,0,0]=4
10  B10R1.4  CCSc1ccccc1C CSC000053911 [1,0,0,0,0,0|2,1,0]=4
11  B10R1.20  COc1ccccc1SC CSC000037525 [1,0,0,0,0,0|3,0,0]=4
12  B12R1.112  CCNc1ccc(cc1CC)Br CSC011290881 [0,1,0,0,0,0|3,0,0]=4
13  B12R1.112  CCOc1ccc(cc1OC)Br CSC012344064 [0,1,0,0,0,0|3,0,0]=4
14  B12R1.112  CCOc1ccc(cc1OC)C CSC000006307 [0,1,0,0,0,0|3,0,0]=4
15  B12R1.121  CCCOc1ccccc1CN CSC000185556 [0,1,0,0,0,0|3,0,0]=4
16  B12R1.121  CCCOc1ccccc1CO CSC011232767 [0,1,0,0,0,0|3,0,0]=4
17  B12R1.121  CCCOc1ccccc1SC CSC010368029 [0,1,0,0,0,0|3,0,0]=4
18  B12R1.121  CCc1ccccc1NCCO CSC011233141 [0,1,0,0,0,0|3,0,0]=4
19  B12R1.121  COc1ccccc1OCCO CSC011305853 [0,1,0,0,0,0|3,0,0]=4
20  B12R1.121  OCCSc1nccnc1C#N CSC011726480 [0,1,0,0,0,0|1,1,1]=4
21  B12R1.169  CCNc1ccccc1OCC CSC000221050 [0,1,0,0,0,0|2,0,0]=3
22  B12R1.169  CCOc1ccccc1CC=C CSC011198606 [0,1,0,0,0,0|2,0,1]=4
23  B12R1.169  CCOc1ccccc1CCO CSC011754905 [0,1,0,0,0,0|2,0,0]=3
24  B12R1.169  CCOc1ccccc1OCC CSC000170581 [0,1,0,0,0,0|2,0,0]=3
25  B12R1.268  CCOc1cc(ccc1OC)Br CSC010219349 [0,1,0,0,0,0|3,0,0]=4
26  B12R1.283  CCOc1cccnc1[N+](=O)[O-] CSC000006494 [0,1,0,0,0,0|3,0,0]=4
27  B10R1.5  CCc1nccn1CCO CSC011473219 [0,0,0,0,1,0|3,0,0]=4
28  B11R1.13  CCOc1cccc(c1C)Cl CSC010783795 [1,1,0,0,0,0|2,0,0]=4
29  B11R1.17  CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|2,0,0]=4
30  B11R1.17  Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|2,0,0]=4
31  B11R1.81  CCOc1ccc(cc1C)Br CSC011308936 [1,1,0,0,0,0|2,0,0]=4
32  B11R1.81  CCOc1ccc(cc1C)C CSC000174096 [1,1,0,0,0,0|2,0,0]=4
33  B11R1.182  CCOc1cc(ccc1C)Br CSC012361169 [1,1,0,0,0,0|2,0,0]=4
34  B11R1.222  COC(=O)c1nccnc1C CSC000090199 [1,1,0,0,0,0|2,0,0]=4
35  B11R1.605  CCOc1c(cccc1C)C CSC011198585 [1,1,0,0,0,0|2,0,0]=4
36  B11R1.18  CCNCc1nccn1CC CSC011628457 [0,1,0,0,1,0|2,0,0]=4
37  B13R1.485  CCCOc1ccccc1CCO CSC012184286 [0,2,0,0,0,0|2,0,0]=4
38  B13R1.485  CCNCc1ccccc1OCC CSC000186936 [0,2,0,0,0,0|2,0,0]=4
39  B9R1.33  CCSc1nccn1C CSC016059898 [1,0,0,0,1,0|1,1,0]=4