0  B7R0.3  CCCNC(=O)CCl BB01-5506 [1,0,0,0,0,0|2,0,0]=3
1  B7R0.3  CCCNC(C)CC BB57-3735 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.3  CNC(=O)CCCCl BB58-5055 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.3  CNC(=O)CCCN BB32-0805 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  COC(=O)CCCN BB55-8835 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.3  COC(=O)CCSC BB01-5905 [1,0,0,0,0,0|2,0,1]=4
6  B9R1.1  CCC1=CC=C(C)N=C1 BB01-6153 [0,0,0,1,0,0|1,0,2]=4
7  B9R1.21  CCN1C=C(C=O)C=N1 BB01-4777 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.21  CCN1C=C(C=O)C=N1 BB05-0136 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.21  CCN1C=C(CN)C=N1 BB05-0825 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.21  CCN1C=C(CO)C=N1 BB05-0302 [0,0,0,1,0,0|3,0,0]=4
11  B9R1.89  O=CN1CCCNCC1 BB57-0181 [0,0,0,1,0,0|2,0,1]=4
12  B6R0.1  CCCC(=O)NN BB01-6388 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.1  CCNC(=O)CCl BB20-1611 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.1  CNC(=O)CCN BB32-2825 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  CC(=O)NCCN BB20-2208 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.1  CCCNC(=O)CC#N BB57-0634 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.1  CCCNC(=O)CNC BB01-4848 [1,1,0,0,0,0|1,0,0]=3
18  B8R0.1  CCCOC(=O)CCO BB58-0822 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.3  CCCC(N)C(=O)OC BB55-8831 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.6  CCCCNC(=O)CCl BB01-5126 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.6  CCCCOC(=O)CCl BB17-2142 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.6  CCCCOC(=O)CN BB01-2500 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.6  COCCNC(=O)CCl BB01-5128 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.8  CC(O)C(=O)NCCO BB57-6828 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [1,1,0,0,0,0|0,0,2]=4
26  B8R0.8  CCCNC(=O)C(=O)O BB55-4706 [1,1,0,0,0,0|2,0,0]=4
27  B8R0.8  CCCNC(=O)C(C)Br BB58-4933 [1,1,0,0,0,0|1,0,0]=3
28  B8R0.8  CCCNC(=O)C(C)Cl BB55-4741 [1,1,0,0,0,0|1,0,0]=3
29  B8R0.9  CC(C)CNC(=O)CCl BB53-1221 [1,1,0,0,0,0|2,0,0]=4
30  B8R0.19  CCC(C)NC(=O)CCl BB01-5134 [1,1,0,0,0,0|2,0,0]=4
31  B10R0.17  CCOC=C(C(C)=O)C(C)=O BB57-2089 [0,2,0,0,0,0|1,0,1]=4
32  B10R0.85  CCCCC(CC)C(=O)NN BB55-2165 [0,2,0,0,0,0|0,0,2]=4
33  B8R1.2  O=CC1CCCCC1 BB01-6149 [1,0,0,1,0,0|0,0,2]=4
34  B8R1.5  CC1SCCNC1=O BB57-3772 [1,0,0,1,0,0|2,0,0]=4
35  B8R1.5  CN1CCCNC1=O BB58-3630 [1,0,0,1,0,0|2,0,0]=4
36  B8R1.5  NC1CCCNC1=O BB01-4609 [1,0,0,1,0,0|2,0,0]=4
37  B8R1.11  O=C1CCCN1CO BB58-4363 [1,0,0,1,0,0|2,0,0]=4
38  B10R1.13  CC1CCC(C(=O)O)CC1 BB58-4355 [0,1,0,1,0,0|0,0,2]=4
39  B10R1.35  CCN1C=C(C=O)C(C)=N1 BB05-0132 [0,1,0,1,0,0|1,0,1]=4
40  B10R1.61  CC1CCCCC1C(=O)O BB58-4370 [0,1,0,1,0,0|0,0,2]=4
41  B10R1.348  O=C(O)C1CCCCCC1 BB58-4365 [0,1,0,1,0,0|0,0,2]=4
42  B10R1.258  CCN1N=CC(C=O)=C1C BB01-4779 [0,1,0,1,0,0|1,0,1]=4