0  B9R0.2  CCCCCC#CC(C)O SC-21588 [1,0,0,0,0,0|0,0,3]=4
1  B9R0.2  CCCCCCCC(=N)N SC-40677 [1,0,0,0,0,0|2,0,1]=4
2  B9R0.2  CCCCCCCC(=O)[O-] SC-18483 [1,0,0,0,0,0|1,0,2]=4
3  B9R0.2  CCCCCCCC(=O)[O-] SC-26042 [1,0,0,0,0,0|1,0,2]=4
4  B9R0.2  CCCCCCCC(=O)[O-] SC-52189 [1,0,0,0,0,0|1,0,2]=4
5  B9R0.2  CCCCCCCC(=O)[O-] SC-79959 [1,0,0,0,0,0|1,0,2]=4
6  B9R0.2  NCCCCCCC(=O)O SC-52825 [1,0,0,0,0,0|2,0,1]=4
7  B9R0.45  CCCCCCCNCC SC-28603 [1,0,0,0,0,0|1,0,2]=4
8  B9R0.45  NCCCCCCCCBr SC-69472 [1,0,0,0,0,0|2,0,1]=4
9  B9R0.45  NCCCCCCCCO SC-50444 [1,0,0,0,0,0|2,0,1]=4
10  B11R0.40  C=CC(=O)OCCCCCCO SC-52181 [0,1,0,0,0,0|1,0,2]=4
11  B11R0.42  CCCCCCCC(C)C(=O)O SC-50331 [0,1,0,0,0,0|2,0,0]=3
12  B11R1.40  CC(CC1CCCCC1)NN SC-38557 [0,0,0,1,0,0|3,0,0]=4
13  B11R1.40  N[C@H](CO)CC1CCCCC1 SC-26188 [0,0,0,1,0,0|2,0,1]=4
14  B11R1.381  CCN1CCCCC(N)C1=O SC-58352 [0,0,0,1,0,0|3,0,0]=4
15  B8R0.4  C=CCCCCCCCl SC-30488 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.4  CCCCCCCCBr SC-19080 [2,0,0,0,0,0|1,0,0]=3
17  B8R0.4  CCCCCCCCCl SC-65214 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.4  CCCCCCCCI SC-74556 [2,0,0,0,0,0|1,0,0]=3
19  B8R0.4  CCCCCCCCO SC-19079 [2,0,0,0,0,0|0,0,0]=2
20  B8R0.4  CCCCCCCNC SC-58244 [2,0,0,0,0,0|1,0,1]=4
21  B8R0.4  NCCCCCCCBr SC-40056 [2,0,0,0,0,0|2,0,0]=4
22  B8R0.4  NCCCCCCCCl SC-38783 [2,0,0,0,0,0|2,0,0]=4
23  B8R0.4  OCCCNCCCO SC-85694 [2,0,0,0,0,0|2,0,0]=4
24  B8R0.6  C=CC(O)CCCCC SC-18002 [2,0,0,0,0,0|0,0,0]=2
25  B10R0.4  NCCCCCCCC(=O)O SC-19183 [1,1,0,0,0,0|1,0,1]=4
26  B10R0.71  CCCCCCCCCC=O SC-22770 [1,1,0,0,0,0|0,0,1]=3
27  B10R0.71  CCCCCCCCCCBr SC-00388 [1,1,0,0,0,0|0,0,2]=4
28  B10R0.71  CCCCCCCCCCC SC-79237 [1,1,0,0,0,0|0,0,2]=4
29  B10R0.71  CCCCCCCCN=C=S SC-65278 [1,1,0,0,0,0|1,0,1]=4
30  B10R0.71  ClCCCCCCCCCCl SC-44719 [1,1,0,0,0,0|1,0,1]=4
31  B12R0.251  CCCCCCCCC(N)C(=O)O SC-10076 [0,2,0,0,0,0|2,0,0]=4
32  B10R1.18  O=C(O)CC1CCCCC1 SC-17590 [1,0,0,1,0,0|1,0,1]=4
33  B10R1.17  C=CCOC1CCNCC1 SC-36607 [1,0,0,1,0,0|2,0,0]=4
34  B10R1.20  CCC1CCCCC1NN SC-41836 [1,0,0,1,0,0|2,0,0]=4
35  B10R1.161  NNC1CCCCCCC1 SC-58988 [1,0,0,1,0,0|2,0,0]=4
36  B10R1.161  NNC1CCCCCCC1 SC-59933 [1,0,0,1,0,0|2,0,0]=4
37  B10R1.15  C=CC(O)C1CCCCC1 SC-48084 [1,0,0,1,0,0|0,0,0]=2
38  B10R1.15  C=CC(O)C1CCOCC1 SC-48078 [1,0,0,1,0,0|1,0,0]=3
39  B10R1.15  NCC(O)C1CCCCC1 SC-34615 [1,0,0,1,0,0|1,0,1]=4
40  B12R1.43  NC(CC1CCCCC1)C(=O)O SC-11091 [0,1,0,1,0,0|2,0,0]=4