0  B7R0.1  C=CCCCCCC BBL027759 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.1  CCCCCCCI BBL027321 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.1  CCCCCN=C=S BBL027805 [0,0,0,0,0,0|0,0,0]=0
3  B7R0.1  COCCCN=C=O BBL037672 [0,0,0,0,0,0|1,1,0]=2
4  B7R0.1  COCCCN=C=S BBL027870 [0,0,0,0,0,0|1,0,0]=1
5  B7R0.1  NCCCCCCN BBL027705 [0,0,0,0,0,0|3,0,1]=4
6  B6R0.6  BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.6  CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,1]=3
9  B6R0.6  CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,1]=3
10  B6R0.6  CCCCN=C=O BBL027371 [1,0,0,0,0,0|0,1,0]=2
11  B6R0.6  CCCCOC=O BBL012218 [1,0,0,0,0,0|1,1,1]=4
12  B6R0.6  CCCNCCC BBL027756 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.6  CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,1]=4
14  B6R0.6  COCCN=C=S BBL011963 [1,0,0,0,0,0|1,0,0]=2
15  B6R0.6  NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,1]=4
16  B8R0.1  CCOC(=O)CN=C=O BBL027369 [0,1,0,0,0,0|1,1,1]=4
17  B8R0.4  CCCCCCCCCl BBL011474 [0,1,0,0,0,0|2,0,1]=4
18  B8R0.4  CCCCCCCCI BBL027322 [0,1,0,0,0,0|2,0,1]=4
19  B8R0.4  CCCCNCCCC BBL002913 [0,1,0,0,0,0|2,0,1]=4
20  B8R0.4  CCOCCCN=C=O BBL037673 [0,1,0,0,0,0|0,1,0]=2
21  B8R0.6  CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|2,0,1]=4
22  B8R0.6  CCCCCC(=O)NN BBL014328 [0,1,0,0,0,0|3,0,0]=4
23  B8R0.6  COC(=O)CCN=C=O BBL029020 [0,1,0,0,0,0|1,1,1]=4
24  B8R0.7  CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|1,1,1]=4
25  B8R1.2  CCC1CCCCN1 BBL100012 [0,0,0,1,0,0|2,0,1]=4
26  B8R1.5  CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|1,1,1]=4
27  B8R1.8  O=C=NC1CCCC1 BBL036935 [0,0,0,1,0,0|0,1,0]=2
28  B8R1.8  S=C=NC1CCCC1 BBL027955 [0,0,0,1,0,0|0,0,0]=1
29  B8R1.22  NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|1,0,1]=3
30  B8R1.22  O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,1,1]=4
31  B5R0.2  BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4
32  B5R0.2  CCCCC=O BBL027632 [2,0,0,0,0,0|0,1,1]=4
33  B5R0.2  CCCCCN BBL011398 [2,0,0,0,0,0|0,0,1]=3
34  B5R0.2  CCNCCO BBL027409 [2,0,0,0,0,0|1,1,0]=4
35  B5R0.2  CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4
36  B5R0.2  CNCCCN BBL011479 [2,0,0,0,0,0|1,0,1]=4
37  B5R0.2  COCCCN BBL011597 [2,0,0,0,0,0|1,0,1]=4
38  B5R0.2  NCCCCN BBL027703 [2,0,0,0,0,0|1,0,1]=4
39  B5R0.2  O=C=NCCCl BBL027370 [2,0,0,0,0,0|1,1,0]=4
40  B7R0.4  CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,1,1]=4
41  B7R0.7  CCCC(N)CCC BBL003306 [1,1,0,0,0,0|1,0,1]=4
42  B9R0.5  CCOC(=O)CCN=C=O BBL037671 [0,2,0,0,0,0|0,1,1]=4
43  B9R0.2  CC(C)OCCCN=C=S BBL029946 [0,2,0,0,0,0|0,0,0]=2
44  B9R0.50  CCN(CC)CCN=C=S BBL029899 [0,2,0,0,0,0|1,0,0]=3
45  B7R1.3  NN1CCCCC1 BBL027587 [1,0,0,1,0,0|1,0,1]=4
46  B7R1.3  OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,1,1]=4
47  B7R1.7  CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,1,1]=4
48  B9R1.8  S=C=NC1CCCCC1 BBL011352 [0,1,0,1,0,0|0,0,0]=2
49  B9R1.12  O=C=NCC1CCCO1 BBL037674 [0,1,0,1,0,0|0,1,0]=3
50  B9R1.12  S=C=NCC1CCCO1 BBL012474 [0,1,0,1,0,0|0,0,0]=2