0  B6R1.2  CC1=NSN=C1 BB12-1747 [0,0,0,0,0,0|3,0,1]=4
1  B6R1.2  OC1CNOC1 BB12-1709 [0,0,0,0,0,0|1,1,2]=4
2  B6R1.2  O[C@@H]1CCNC1 BB12-3487 [0,0,0,0,0,0|1,0,2]=3
3  B7R1.1  CNC1CCCC1 BB53-1678 [0,1,0,0,0,0|2,0,1]=4
4  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,1,0,0,0,0|1,0,1]=3
5  B7R1.2  O=C1CNC(=S)N1 BB20-3124 [0,1,0,0,0,0|2,0,1]=4
6  B7R1.4  NC1CCNC1=O BB12-2184 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.1  CCOC(C)=N BB12-3674 [0,0,1,0,0,0|3,0,0]=4
8  B5R0.1  CNCC(C)=O BB12-3010 [0,0,1,0,0,0|1,0,0]=2
9  B5R0.1  CNCC(C)O BB12-1288 [0,0,1,0,0,0|1,0,2]=4
10  B5R0.2  CCSCCN BB53-1545 [0,0,1,0,0,0|1,0,1]=3
11  B5R0.2  CSCCC#N BB12-3714 [0,0,1,0,0,0|1,0,1]=3
12  B5R0.2  [C-]#[N+]CCCC BB56-0718 [0,0,1,0,0,0|3,0,0]=4
13  B5R0.2  [C-]#[N+]CCOC BB56-1837 [0,0,1,0,0,0|2,1,0]=4
14  B5R0.3  CC\C(N)=N\O BB12-3467 [0,0,1,0,0,0|2,1,0]=4
15  B5R1.2  O=C1CNC1 BB20-3400 [0,0,0,0,1,0|1,0,0]=2
16  B7R1.3  NC1CCCOC1 BB12-2177 [0,0,0,0,0,1|1,1,1]=4
17  B7R1.3  OC1CCOCC1 BB12-1171 [0,0,0,0,0,1|0,1,2]=4
18  B7R1.3  OC1CCSCC1 BB53-1540 [0,0,0,0,0,1|0,0,2]=3
19  B4R0.2  CSCCCl BB53-1396 [1,0,1,0,0,0|1,0,0]=3
20  B4R0.2  CSCCN BB12-0970 [1,0,1,0,0,0|1,0,0]=3
21  B6R0.1  CNC(=O)CC#N BB12-1423 [0,1,1,0,0,0|1,0,1]=4
22  B6R0.1  CNC(=O)CCCl BB12-1619 [0,1,1,0,0,0|1,0,0]=3
23  B6R0.1  CNC(=O)CCN BB12-1715 [0,1,1,0,0,0|1,0,0]=3
24  B6R0.1  CNC(=O)CCO BB12-3660 [0,1,1,0,0,0|0,1,0]=3
25  B6R0.1  CNCC(=O)NN BB12-1497 [0,1,1,0,0,0|2,0,0]=4
26  B6R0.1  COC(=O)CCN BB12-2761 [0,1,1,0,0,0|1,0,0]=3
27  B6R0.1  COC(=O)CCO BB12-1300 [0,1,1,0,0,0|0,1,0]=3
28  B6R0.1  CSC\C(N)=N\O BB12-3469 [0,1,1,0,0,0|1,0,1]=4
29  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,1,1,0,0,0|2,0,0]=4
30  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,1,1,0,0,0|1,0,0]=3
31  B6R0.4  CCSCC(=O)O BB12-3264 [0,1,1,0,0,0|1,0,0]=3
32  B6R0.4  CNCCC(=O)O BB12-1452 [0,1,1,0,0,0|2,0,0]=4
33  B6R0.4  COCCC(=O)Cl BB20-1617 [0,1,1,0,0,0|1,1,0]=4
34  B6R0.4  CSCCC(=N)N BB12-3715 [0,1,1,0,0,0|2,0,0]=4
35  B6R0.5  CS(=O)(=O)CCN BB53-1620 [0,1,1,0,0,0|2,0,0]=4
36  B6R0.5  CS(=O)(=O)CCO BB53-1360 [0,1,1,0,0,0|1,1,0]=4
37  B6R0.6  CCCSCCN BB53-1582 [0,1,1,0,0,0|1,0,1]=4
38  B6R0.6  CCSCCNC BB12-0971 [0,1,1,0,0,0|1,0,1]=4
39  B6R1.6  NCC1CCC1 BB12-1679 [0,1,0,0,1,0|1,0,1]=4
40  B8R1.2  CNC1CCSCC1 BB53-1643 [0,1,0,0,0,1|1,0,1]=4
41  B8R1.2  O=CC1CC=CCC1 BB01-8334 [0,1,0,0,0,1|1,0,1]=4
42  B8R1.2  ON=C1CCCCC1 BB12-1685 [0,1,0,0,0,1|1,0,1]=4
43  B8R1.3  O=C1CCS(=O)CC1 BB53-1536 [0,1,0,0,0,1|0,0,1]=3
44  B8R1.5  O=C1CCOCC1O BB17-2979 [0,1,0,0,0,1|0,1,0]=3
45  B8R1.5  O=C1OCCCC1Br BB17-3008 [0,1,0,0,0,1|1,0,0]=3
46  B8R1.72  O=S1(=O)CCNCC1 BB12-1778 [0,1,0,0,0,1|2,0,0]=4
47  B8R1.11  CCC1CCCC1=O BB12-2911 [0,2,0,0,0,0|1,0,0]=3
48  B8R1.51  CC1(C)CCC(=O)N1 BB12-1604 [0,2,0,0,0,0|2,0,0]=4
49  B8R1.51  NC1CCS(=O)(=O)C1 BB12-2525 [0,2,0,0,0,0|2,0,0]=4
50  B8R1.22  O=C1CCOCCN1 BB20-4217 [0,0,0,0,0,2|0,1,0]=3