0  B6R0.1  C#CC(=O)OCC BB53-1426 [0,0,0,0,0,0|0,0,2]=2
1  B6R0.1  CCC\C(N)=N\O BB10-0037 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.1  CCNC(=S)NN BB12-3098 [0,0,0,0,0,0|3,1,0]=4
3  B6R0.1  CNC(=O)CCCl BB12-1619 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.1  CNC(=O)CCN BB12-1715 [0,0,0,0,0,0|3,0,1]=4
5  B6R0.1  CNC(=O)CCO BB12-3660 [0,0,0,0,0,0|3,0,1]=4
6  B6R0.1  CNCC(=O)NN BB12-1497 [0,0,0,0,0,0|4,0,0]=4
7  B6R0.1  COC(=O)CCN BB12-2761 [0,0,0,0,0,0|3,0,1]=4
8  B6R0.1  COC(=O)CCO BB12-1300 [0,0,0,0,0,0|3,0,1]=4
9  B5R0.1  CCOC(C)=N BB12-3674 [1,0,0,0,0,0|1,0,1]=3
10  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,1]=4
11  B5R0.3  CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|3,0,0]=4
12  B7R0.2  CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,0|3,0,0]=4
13  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,0|2,0,1]=4
14  B7R0.3  CCC(=O)NCCN BB12-2323 [0,1,0,0,0,0|1,0,2]=4
15  B7R0.3  CCCCC(=O)NN BB12-2550 [0,1,0,0,0,0|3,0,0]=4
16  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [0,1,0,0,0,0|2,0,0]=3
17  B7R0.3  CNCCC(=O)NC BB12-1428 [0,1,0,0,0,0|2,0,1]=4
18  B7R0.3  COCCC(=O)NN BB20-4502 [0,1,0,0,0,0|3,0,0]=4
19  B7R0.7  CCOC(=N)CCCl BB12-2325 [0,1,0,0,0,0|1,0,2]=4
20  B7R0.7  CCOC(=O)CCO BB12-1446 [0,1,0,0,0,0|0,0,2]=3
21  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [0,1,0,0,0,0|2,0,1]=4
22  B7R1.4  NC1CCNC1=O BB12-2184 [0,0,0,1,0,0|2,0,1]=4
23  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,1,0]=4
25  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.4  COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|2,0,0]=4
27  B8R0.5  CCOC(=O)CC(=N)N BB20-3533 [0,2,0,0,0,0|0,0,1]=3
28  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [0,2,0,0,0,0|0,0,2]=4
29  B8R0.24  C=CC(=O)NC(C)(C)C BB12-2819 [0,2,0,0,0,0|1,0,0]=3
30  B8R0.1  CCOC(=O)CCC#N BB12-3513 [0,2,0,0,0,0|0,0,2]=4
31  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [0,2,0,0,0,0|0,0,1]=3
32  B8R0.3  [C-]#[N+]C(C)C(=O)OCC BB56-0006 [0,2,0,0,0,0|0,0,2]=4
33  B8R0.14  CCOC(=O)C(C)(C)Br BB12-3729 [0,2,0,0,0,0|0,0,2]=4
34  B6R1.1  C1=CCONC1 BB12-1719 [1,0,0,1,0,0|1,0,1]=4
35  B8R1.1  CC1=CC=C(C#N)O1 BB12-3501 [0,1,0,1,0,0|1,0,1]=4
36  B8R1.1  CCN1C=CC(N)=N1 BB55-3816 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.1  OCC1=CC=C(Br)O1 BB90-0114 [0,1,0,1,0,0|1,0,1]=4
38  B8R1.5  O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|0,0,2]=4