0  B8R0.5  CC(C)NC(=O)CC#N BB12-1368 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.5  CCOC(=O)CC(=N)N BB20-3533 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [0,0,0,0,0,0|1,0,0]=1
3  B7R0.2  CC(C)CC(=O)NN BB12-2655 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.2  CNC(=O)CC(C)N BB12-1658 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.4  CC(C)CCCCO BB12-2305 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.7  CCOC(=N)CCCl BB12-2325 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.7  CCOC(=O)CCO BB12-1446 [1,0,0,0,0,0|1,0,0]=2
8  B9R0.34  CCOC(=O)CC(C)NC BB12-1298 [0,1,0,0,0,0|0,0,0]=1
9  B9R0.44  CNCC(=O)OC(C)(C)C BB20-3288 [0,1,0,0,0,0|3,0,0]=4
10  B9R1.13  CC(C)CC1CCCN1 BB56-0309 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.137  CC(=O)CC(=O)C1CC1 BB12-3707 [0,0,0,1,0,0|2,0,1]=4
12  B7R0.5  CN(C)C(=O)CCCl BB12-1527 [0,0,0,0,1,0|3,0,0]=4
13  B7R0.5  CN(C)C(=O)CCO BB12-3663 [0,0,0,0,1,0|3,0,0]=4
14  B6R0.1  C#CC(=O)OCC BB53-1426 [2,0,0,0,0,0|0,0,2]=4
15  B6R0.1  CNC(=O)CCCl BB12-1619 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.1  CNC(=O)CCN BB12-1715 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.1  CNC(=O)CCO BB12-3660 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.1  COC(=O)CCN BB12-2761 [2,0,0,0,0,0|1,0,0]=3
19  B6R0.1  COC(=O)CCO BB12-1300 [2,0,0,0,0,0|1,0,0]=3
20  B6R0.2  CC(N)CC(=O)O BB12-2890 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.4  CCNCC(C)O BB12-1676 [2,0,0,0,0,0|2,0,0]=4
22  B8R0.2  CC(C)N(C)C(=O)CCl BB12-2480 [1,1,0,0,0,0|2,0,0]=4
23  B8R0.19  CCN(C)CC(C)CN BB12-1352 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.1  CCOC(=N)CCCCl BB12-2324 [1,1,0,0,0,0|1,0,0]=3
25  B8R0.1  CCOC(=O)CCC#N BB12-3513 [1,1,0,0,0,0|0,0,1]=3
26  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [1,1,0,0,0,0|0,0,1]=3
27  B8R0.3  [C-]#[N+]C(C)C(=O)OCC BB56-0006 [1,1,0,0,0,0|1,0,1]=4
28  B8R0.14  CCOC(=O)C(C)(C)Br BB12-3729 [0,1,0,0,1,0|0,0,0]=2
29  B10R0.26  CCOC(=O)CC(C)N(C)C BB12-3647 [0,1,0,0,0,1|1,0,0]=3
30  B10R0.26  CCOC(=O)CN(C)C(C)C BB12-1395 [0,1,0,0,0,1|0,0,0]=2
31  B10R0.28  CC(C)(C)OC(=O)NCCCl BB11-0121 [0,2,0,0,0,0|2,0,0]=4
32  B10R0.28  CC(C)(C)OC(=O)NCCO BB53-1343 [0,2,0,0,0,0|2,0,0]=4
33  B10R0.101  CCOC(=O)C(CC)N(C)C BB12-3596 [0,2,0,0,0,0|1,0,0]=3
34  B10R0.101  [C-]#[N+]C(C(=O)OCC)C(C)C BB56-0005 [0,2,0,0,0,0|0,0,0]=2
35  B10R0.79  CCOC(CC(C)C)OCC BB12-3545 [0,2,0,0,0,0|0,0,2]=4
36  B10R0.2  CCNC(C)CC(=O)OCC BB12-1359 [0,2,0,0,0,0|0,0,0]=2
37  B8R1.40  O=C(CCl)NC1CC1 BB53-1318 [1,0,0,1,0,0|2,0,0]=4
38  B8R1.51  CC1(C)CCC(=O)N1 BB12-1604 [1,0,0,1,0,0|1,0,0]=3
39  B8R1.51  CC1(C)COC(=O)N1 BB12-2312 [1,0,0,1,0,0|1,0,0]=3
40  B8R1.7  CC(C)C1CCCN1 BB56-0522 [1,0,0,1,0,0|2,0,0]=4
41  B8R1.22  CC1CCCNCC1 BB12-1445 [1,0,0,1,0,0|1,0,1]=4
42  B8R1.72  CC1(C)CCCNC1 BB12-1606 [1,0,0,1,0,0|2,0,0]=4
43  B8R1.11  CCC1CCCC1=O BB12-2911 [1,0,0,1,0,0|1,0,0]=3
44  B8R1.5  O=C1OCCCC1Br BB17-3008 [0,0,0,1,1,0|1,0,0]=3
45  B10R1.329  CC1(C)CC(=O)C=C(N)C1 BB17-0154 [0,1,0,1,0,0|1,0,1]=4
46  B6R0.3  CC(C)C(=O)NN BB12-1583 [1,0,0,0,1,0|2,0,0]=4
47  B6R0.3  CN(C)C(=O)CO BB12-3698 [1,0,0,0,1,0|2,0,0]=4
48  B6R0.3  CNC(=O)C(C)Br BB12-1295 [1,0,0,0,1,0|2,0,0]=4
49  B6R0.3  COC(=N)C(C)C BB12-3132 [1,0,0,0,1,0|1,0,0]=3
50  B6R0.3  COC(=O)N(C)N BB12-2783 [1,0,0,0,1,0|2,0,0]=4