0  B11R1.29  NCCNC(=O)C1=NNC=C1 BB05-2433 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.29  O=C(NCCO)C1=CC=NN1 BB54-0683 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.11  CCOC(=O)C1=CNC=N1 BB01-7910 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.11  CCOC(=O)C1=CSC=N1 BB54-3895 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.11  CCOC(=O)C1=NNC=C1 BB55-2980 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.21  NCCSCC1=CC=CO1 BB58-0598 [1,0,0,0,0,0|2,0,1]=4
6  B12R1.15  COC(=O)CC(=O)C1=CC=CS1 BB57-3597 [0,1,0,0,0,0|1,1,1]=4
7  B12R1.35  O=C(CCCCCl)C1=CC=CS1 BB54-1792 [0,1,0,0,0,0|0,1,0]=2
8  B12R1.54  CN(C)\C=N\C(=O)C1=CC=CO1 BB57-4245 [0,1,0,0,0,0|2,0,1]=4
9  B12R1.54  O=C(O)CCC(=O)C1=CC=CO1 BB54-4290 [0,1,0,0,0,0|1,0,1]=3
10  B12R1.460  CCCOC(=O)C1=C(N)SC=C1 BB55-6398 [0,1,0,0,0,0|3,0,0]=4
11  B12R2.2  C1=COC(C2CCCCN2)=C1 BB56-0641 [0,0,0,1,0,0|1,0,1]=3
12  B12R2.2  C1=CSC(C2=CCNCC2)=C1 BB58-4150 [0,0,0,1,0,0|2,1,0]=4
13  B12R2.2  C1=CSC(C2CCCCN2)=C1 BB56-0374 [0,0,0,1,0,0|1,1,1]=4
14  B12R2.2  C1=NOC(C2CCCCN2)=C1 BB58-2960 [0,0,0,1,0,0|2,0,1]=4
15  B12R1.30  NCCNC(=O)C1=CC=CC=C1 BB32-0721 [0,0,0,0,0,1|3,0,0]=4
16  B9R1.11  CCC(=O)C1=NC=CS1 BB55-8398 [2,0,0,0,0,0|1,1,0]=4
17  B9R1.11  COC(=O)C1=CC=CN1 BB54-1949 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.11  COC(=O)C1=CC=NO1 BB05-4453 [2,0,0,0,0,0|2,0,0]=4
19  B9R1.11  COC(=O)C1=CC=NO1 BB54-4360 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.11  NNC(=O)C1=CC=CO1 BB01-6372 [2,0,0,0,0,0|2,0,0]=4
21  B9R1.12  CCNCC1=CC=CO1 BB01-4781 [2,0,0,0,0,0|1,0,0]=3
22  B9R1.12  CNCCC1=CC=CS1 BB55-8320 [2,0,0,0,0,0|1,1,0]=4
23  B9R1.12  NCCCC1=CC=CO1 BB01-5828 [2,0,0,0,0,0|1,0,0]=3
24  B11R1.15  CCNC(=O)C1=CC=C(Br)O1 BB55-2911 [1,1,0,0,0,0|1,0,0]=3
25  B11R1.15  CCOC(=O)C1=CC(C)=NO1 BB55-7613 [1,1,0,0,0,0|2,0,0]=4
26  B11R1.15  CCOC(=O)C1=CC(N)=CS1 BB20-6180 [1,1,0,0,0,0|1,1,0]=4
27  B11R1.77  CC(=O)CC(=O)C1=CC=CS1 BB54-4313 [1,1,0,0,0,0|0,1,1]=4
28  B11R1.199  CCOC(=O)C1=C(C)N=CO1 BB54-1776 [1,1,0,0,0,0|2,0,0]=4
29  B11R1.4  CCCCNCC1=CC=CS1 BB53-1762 [1,1,0,0,0,0|0,1,1]=4
30  B11R1.4  ClCCCCCC1=CC=CS1 BB54-1790 [1,1,0,0,0,0|0,1,1]=4
31  B13R1.17  CCCNC(=O)C1=CC=C(N)C=C1 BB55-1692 [0,1,0,0,0,1|2,0,0]=4
32  B13R1.17  CCCNC(=O)C1=CN=C(Cl)C=C1 BB50-0235 [0,1,0,0,0,1|2,0,0]=4
33  B13R1.18  CCCOC(=O)C1=CC=CC(N)=C1 BB17-0322 [0,1,0,0,0,1|2,0,0]=4
34  B13R1.24  NCCCNC(=O)C1=CC=CC=C1 BB32-3477 [0,1,0,0,0,1|2,0,0]=4
35  B13R1.342  CC(C)CCNC(C)C1=CC=CO1 BB01-5352 [0,2,0,0,0,0|1,0,1]=4
36  B11R2.2  C1=COC(C2CCCN2)=C1 BB05-3960 [1,0,0,1,0,0|1,0,1]=4
37  B11R2.2  C1=COC(C2CCCN2)=C1 BB56-0036 [1,0,0,1,0,0|1,0,1]=4
38  B11R2.106  O=C1CCCN2C=CN=C12 BB58-3678 [1,0,0,1,0,0|2,0,0]=4
39  B13R2.18  OC1CCCCC1C2=CC=CO2 BB57-6714 [0,0,0,1,0,1|0,0,2]=4
40  B13R2.677  C1=COC(C2CCCCCN2)=C1 BB56-0506 [0,1,0,1,0,0|1,0,1]=4