0  B8R0.4  CCCCCCCCCl BBL011474 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.4  CCCCCCCCI BBL027322 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.4  CCCCNCCCC BBL002913 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.1  C=CCCCCCC BBL027759 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.1  CCCCCCCI BBL027321 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.1  N#CCCNCCO BBL023284 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.1  NCCCCCCN BBL027705 [1,0,0,0,0,0|2,0,1]=4
7  B9R0.18  CCCCC(=O)CCCC BBL011668 [0,1,0,0,0,0|1,0,1]=3
8  B9R0.45  CCCCCCCCCBr BBL010944 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.45  CCCCCCCCCI BBL011365 [0,1,0,0,0,0|1,0,2]=4
10  B9R0.45  CCCCCCCCCN BBL027706 [0,1,0,0,0,0|1,0,2]=4
11  B9R0.45  NCCCCCCCCN BBL037236 [0,1,0,0,0,0|1,0,2]=4
12  B9R1.8  CCCC1CCCCN1 BBL022356 [0,0,0,1,0,0|1,0,2]=4
13  B9R1.8  ClCCC1CCCCN1 BBL031438 [0,0,0,1,0,0|2,0,1]=4
14  B9R1.8  OCCC1CCCCN1 BBL027554 [0,0,0,1,0,0|1,0,1]=3
15  B9R1.12  CCCNC1CCCC1 BBL022960 [0,0,0,1,0,0|2,0,1]=4
16  B9R1.12  CCNCC1=CC=CO1 BBL013868 [0,0,0,1,0,0|1,0,2]=4
17  B9R1.12  NCCCC1=CC=CO1 BBL030544 [0,0,0,1,0,0|1,0,2]=4
18  B9R1.15  CN1CCCCC1CO BBL027589 [0,0,0,1,0,0|1,0,2]=4
19  B9R1.83  CCCCCCC1CO1 BBL027501 [0,0,0,1,0,0|0,0,2]=3
20  B9R1.83  CCCCOCC1CO1 BBL010943 [0,0,0,1,0,0|1,0,1]=3
21  B6R0.6  BrCCCCCBr BBL012205 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.6  CCCCCCBr BBL012217 [2,0,0,0,0,0|1,0,0]=3
23  B6R0.6  CCCCCCI BBL011465 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.6  CCCCCCN BBL011106 [2,0,0,0,0,0|1,0,0]=3
25  B6R0.6  CCCCOC=O BBL012218 [2,0,0,0,0,0|1,0,1]=4
26  B6R0.6  CCCNCCC BBL027756 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.6  CCOCCCN BBL027700 [2,0,0,0,0,0|2,0,0]=4
28  B6R0.6  NCCCCCN BBL027704 [2,0,0,0,0,0|2,0,0]=4
29  B6R0.6  NCCNCCO BBL027690 [2,0,0,0,0,0|2,0,0]=4
30  B6R0.6  NCCOCCO BBL011501 [2,0,0,0,0,0|2,0,0]=4
31  B6R0.6  NCCSCCO BBL028287 [2,0,0,0,0,0|2,0,0]=4
32  B8R0.1  CCOC(=O)CCCCl BBL011514 [1,1,0,0,0,0|2,0,0]=4
33  B8R0.6  CCCCCC(=O)CC BBL011431 [1,1,0,0,0,0|0,0,1]=3
34  B8R0.7  CC(C)CNCCCO BBL030005 [1,1,0,0,0,0|1,0,1]=4
35  B10R0.4  CCCCCCCCC(=O)O BBL027459 [0,2,0,0,0,0|0,0,2]=4
36  B8R1.2  BrCC1CCCCO1 BBL027774 [1,0,0,1,0,0|1,0,1]=4
37  B8R1.2  CCC1CCCCN1 BBL100012 [1,0,0,1,0,0|1,0,1]=4
38  B8R1.2  ClCC1CCCCO1 BBL027598 [1,0,0,1,0,0|1,0,1]=4
39  B8R1.2  ClCC1COCCO1 BBL033753 [1,0,0,1,0,0|2,0,0]=4
40  B8R1.5  OC1CCCCC1O BBL027442 [1,0,0,1,0,0|1,0,1]=4
41  B8R1.8  ClCCN1CCCC1 BBL005577 [1,0,0,1,0,0|2,0,0]=4
42  B8R1.8  NCCN1CCCC1 BBL037752 [1,0,0,1,0,0|2,0,0]=4
43  B8R1.8  OCCN1CCCC1 BBL027420 [1,0,0,1,0,0|1,0,0]=3
44  B10R1.66  CC(N)CCC1=CC=CO1 BBL028734 [0,1,0,1,0,0|0,0,2]=4
45  B10R1.21  CNCCCC1=CC=CO1 BBL030347 [0,1,0,1,0,0|0,0,2]=4
46  B10R1.25  CC1CCC(CO)C(C)C1 BBL036309 [0,1,0,1,0,0|0,0,2]=4
47  B10R1.377  OCCC1(O)CCCCC1 BBL028981 [0,1,0,1,0,0|0,0,2]=4
48  B10R1.27  OCC(O)CN1CCCC1 BBL010711 [0,1,0,1,0,0|1,0,1]=4