0  B4R0.2  CSCCCl BB53-1396 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.2  CSCCN BB12-0970 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.1  NNC=O BB12-2770 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.1  N\C=N/O BB12-3512 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.1  [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|1,0,1]=3
5  B5R0.1  CCOC(C)=N BB12-3674 [0,1,0,0,0,0|1,0,0]=2
6  B5R0.1  CNCC(C)=O BB12-3010 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.1  CNCC(C)O BB12-1288 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.2  CCSCCN BB53-1545 [0,1,0,0,0,0|1,1,1]=4
9  B5R0.2  CSCCC#N BB12-3714 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.2  O=CNNC=O BB12-1708 [0,1,0,0,0,0|2,0,1]=4
11  B5R0.2  [C-]#[N+]CCCC BB56-0718 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.2  [C-]#[N+]CCOC BB56-1837 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.3  CCC(C)NC BB53-1672 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.3  CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,1]=4
15  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|3,0,0]=4
16  B5R1.2  O=C1CNC1 BB20-3400 [0,0,0,1,0,0|2,0,0]=3
17  B6R0.1  C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.1  CCC\C(N)=N\O BB10-0037 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.1  CCNC(=S)NN BB12-3098 [0,2,0,0,0,0|1,1,0]=4
20  B6R0.1  CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.1  CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|2,0,0]=4
22  B6R0.1  CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.1  CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.1  COC(=O)CCN BB12-2761 [0,2,0,0,0,0|2,0,0]=4
25  B6R0.1  COC(=O)CCO BB12-1300 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.4  C=CCNC(C)C BB12-1319 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.4  CC(C)CN=C=O BB01-8145 [0,2,0,0,0,0|1,0,1]=4
30  B6R0.4  CCSCC(=O)O BB12-3264 [0,2,0,0,0,0|0,1,0]=3
31  B6R0.4  CNCCC(=O)O BB12-1452 [0,2,0,0,0,0|1,0,0]=3
32  B6R0.4  COCCC(=O)Cl BB20-1617 [0,2,0,0,0,0|1,0,0]=3
33  B6R0.4  CSCCC(=N)N BB12-3715 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [0,2,0,0,0,0|1,0,0]=3
35  B6R0.6  C=CCCCC#N BB12-2224 [0,2,0,0,0,0|2,0,0]=4
36  B6R1.2  OC1CNOC1 BB12-1709 [0,1,0,1,0,0|2,0,0]=4
37  B6R1.11  N=C(N)C1CC1 BB53-1675 [0,1,0,1,0,0|2,0,0]=4
38  B6R1.11  NC(=S)C1CC1 BB12-3485 [0,1,0,1,0,0|1,1,0]=4
39  B6R1.1  C1=CCONC1 BB12-1719 [0,1,0,1,0,0|2,0,0]=4