0  B10R1.4  C=CCc1ccccc1O CHEBI:39826 [1,0,0,0,0,0|2,0,1]=4
1  B10R1.4  Cc1ccccc1CC#N CHEBI:27982 [1,0,0,0,0,0|1,0,2]=4
2  B10R1.4  c1ccc(c(c1)CCO)O CHEBI:64803 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.245  c1cc(c(c(c1)Cl)C#N)Cl CHEBI:943 [1,0,0,0,0,0|0,1,2]=4
4  B12R2.1081  c1cc2c(c(c1)O)CCCC2 CHEBI:45900 [0,0,0,1,0,0|3,0,0]=4
5  B9R1.8  CCCc1ccccc1 CHEBI:42630 [2,0,0,0,0,0|1,0,0]=3
6  B9R1.8  CCOc1ccccc1 CHEBI:67129 [2,0,0,0,0,0|2,0,0]=4
7  B9R1.8  c1ccc(cc1)CC#N CHEBI:25979 [2,0,0,0,0,0|0,0,2]=4
8  B9R1.8  c1ccc(cc1)CC=O CHEBI:16424 [2,0,0,0,0,0|1,0,1]=4
9  B9R1.8  c1ccc(cc1)CCN CHEBI:18397 [2,0,0,0,0,0|0,0,0]=2
10  B9R1.8  c1ccc(cc1)CCO CHEBI:49000 [2,0,0,0,0,0|1,0,0]=3
11  B9R1.8  c1ccc(cc1)CC[NH3+] CHEBI:225237 [2,0,0,0,0,0|0,0,1]=3
12  B9R1.8  c1ccnc(c1)CCN CHEBI:74024 [2,0,0,0,0,0|1,0,0]=3
13  B9R1.15  CCc1ccccc1C CHEBI:34276 [2,0,0,0,0,0|1,0,0]=3
14  B9R1.15  COc1ccccc1I CHEBI:16355 [2,0,0,0,0,0|1,1,0]=4
15  B9R1.15  COc1ccccc1O CHEBI:28591 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.15  c1ccc(c(c1)CO)O CHEBI:16464 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.3  Cc1c(cccc1N)N CHEBI:76288 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.3  Cc1cccc(c1C)C CHEBI:34037 [2,0,0,0,0,0|2,0,0]=4
19  B9R1.3  Cc1cccc(c1N)C CHEBI:28738 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.3  c1cc(c(c(c1)Cl)Cl)Cl CHEBI:35289 [2,0,0,0,0,0|1,1,0]=4
21  B9R1.3  c1cc(c(c(c1)Cl)Cl)N CHEBI:46636 [2,0,0,0,0,0|2,0,0]=4
22  B9R1.3  c1cc(c(c(c1)Cl)N)Cl CHEBI:46630 [2,0,0,0,0,0|0,1,0]=3
23  B9R1.3  c1cc(c(c(c1)Cl)O)Cl CHEBI:28457 [2,0,0,0,0,0|1,1,0]=4
24  B9R1.3  c1cc(c(c(c1)Cl)O)O CHEBI:27715 [2,0,0,0,0,0|2,0,0]=4
25  B9R1.3  c1cc(c(c(c1)F)O)O CHEBI:39876 [2,0,0,0,0,0|2,0,0]=4
26  B9R1.3  c1cc(c(c(c1)N)N)N CHEBI:38753 [2,0,0,0,0,0|2,0,0]=4
27  B11R1.17  CCSCc1ccccc1O CHEBI:38487 [1,1,0,0,0,0|2,0,0]=4
28  B11R1.222  CCC(C)c1ccccc1O CHEBI:34303 [1,1,0,0,0,0|2,0,0]=4
29  B11R1.156  c1cc(c(c(c1)Cl)C(=O)N)Cl CHEBI:28435 [1,1,0,0,0,0|0,1,1]=4
30  B11R1.464  COc1c(cc(cc1Cl)Cl)Cl CHEBI:19333 [1,1,0,0,0,0|1,1,0]=4
31  B13R1.3787  Cc1cccc(c1OCC(C)N)C CHEBI:6916 [0,2,0,0,0,0|2,0,0]=4
32  B11R2.20  c1ccc2c(c1)CCC=C2 CHEBI:38142 [1,0,0,1,0,0|2,0,0]=4
33  B11R2.20  c1ccc2c(c1)CCCC2 CHEBI:35008 [1,0,0,1,0,0|2,0,0]=4
34  B11R2.20  c1ccc2c(c1)CCCN2 CHEBI:213323 [1,0,0,1,0,0|2,0,0]=4
35  B11R2.20  c1ccc2c(c1)CCCO2 CHEBI:33224 [1,0,0,1,0,0|2,0,0]=4
36  B11R2.20  c1ccc2c(c1)CCOC2 CHEBI:33225 [1,0,0,1,0,0|2,0,0]=4
37  B13R2.342  Cc1cccc2c1CCNC2=O CHEBI:41928 [0,1,0,1,0,0|2,0,0]=4