0  B5R0.3  C#CC(=O)OC BB53-1265 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  CCC(O)C#N BB58-1311 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.3  CCC(O)CN BB58-0207 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.3  COC(=O)CN BB17-0807 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.3  COC(=O)NN BB17-2415 [0,0,0,0,0,0|3,0,1]=4
5  B5R0.3  COC(=S)NN BB58-1099 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  CC(O)C#N BB58-1312 [1,0,0,0,0,0|2,0,0]=3
7  B4R0.1  COC(=S)[S-] BB57-1615 [1,0,0,0,0,0|1,1,1]=4
8  B4R0.2  CNCCO BB53-1758 [1,0,0,0,0,0|3,0,0]=4
9  B4R0.2  COCCBr BB58-3144 [1,0,0,0,0,0|2,0,0]=3
10  B4R0.2  COCCN BB17-0802 [1,0,0,0,0,0|2,0,0]=3
11  B6R0.1  CCC(C)N=C=O BB01-6539 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.1  CCC(O)COC BB57-6766 [0,1,0,0,0,0|2,0,0]=3
13  B6R0.3  COC(=O)C(C)N BB55-6875 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.3  CON(C)C(C)=O BB20-1414 [0,1,0,0,0,0|2,0,0]=3
15  B3R0.1  CNNC BB57-2004 [2,0,0,0,0,0|2,0,0]=4
16  B3R0.2  CB(O)O BB55-7799 [2,0,0,0,0,0|1,0,0]=3
17  B5R0.1  CC(C)CNN BB58-2806 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.1  CC(C)N=C=O BB58-3549 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.1  CC(C)N=C=S BB01-6321 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.4  CC(C)(C)C#N BB58-4601 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.4  CC(C)(C)C=O BB17-2240 [1,1,0,0,0,0|2,0,0]=4
22  B5R0.5  CC(C)C(N)=O BB01-6147 [1,1,0,0,0,0|2,0,0]=4
23  B5R0.5  CC(C)C(N)=S BB01-7896 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.2  CCOCCN BB57-6037 [1,1,0,0,0,0|2,0,0]=4
25  B5R0.2  CNCCOC BB57-3739 [1,1,0,0,0,0|1,0,0]=3
26  B5R0.2  COCCCBr BB58-3145 [1,1,0,0,0,0|1,0,0]=3
27  B7R0.3  CCCNC(C)CC BB57-3735 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.10  CCC(C)C(N)CO BB01-5326 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.11  COCC(C)(C)CN BB58-3593 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.12  C=CCB(OC)OC BB58-4951 [0,2,0,0,0,0|1,0,0]=3
31  B7R0.12  CCNC(CC)CC BB55-6530 [0,2,0,0,0,0|2,0,0]=4
32  B5R1.3  BrCC1CC1 BB58-0270 [1,0,0,1,0,0|2,0,0]=4
33  B5R1.3  NCC1CC1 BB55-3609 [1,0,0,1,0,0|2,0,0]=4
34  B7R1.1  COC1=NCCC1 BB57-3196 [0,1,0,1,0,0|1,0,1]=4
35  B7R1.1  OCC1CCCN1 BB01-5343 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.1  OC[C@H]1CCCO1 BB31-4654 [0,1,0,1,0,0|1,0,0]=3
37  B7R1.22  CNC(C)C1CC1 BB55-6218 [0,1,0,1,0,0|2,0,0]=4