0  B16R0.221  CCCCCCCCCCCCC[C@@H](O)CC 73820 [0,0,1,0,0,0|1,0,2]=4
1  B16R0.221  CCCCCCCCCCCCOC(=O)CC A10989 [0,0,1,0,0,0|0,0,0]=1
2  B16R0.274  CCCCCCCCCCCCCCC(N)=O D93297 [0,0,1,0,0,0|1,0,0]=2
3  B16R0.274  O=C(O)CCCCCCCCCCCCCO S10578 [0,0,1,0,0,0|1,0,0]=2
4  B16R0.303  C#CCCCCCCCCCCCCCCC T72187 [0,0,1,0,0,0|2,0,1]=4
5  B16R0.303  C=CCCCCCCCCCCCCCCBr A51198 [0,0,1,0,0,0|2,0,0]=3
6  B16R0.303  CCCCCCCCCCCCCCCC#N D80676 [0,0,1,0,0,0|2,0,1]=4
7  B16R0.303  CCCCCCCCCCCCCCCC=O RB3019 [0,0,1,0,0,0|1,0,0]=2
8  B16R0.303  CCCC\C=C/CCCCCCCCCC=O T72592 [0,0,1,0,0,0|1,0,2]=4
9  B16R0.303  OCCCCCCCCCCCCCCCBr 67109 [0,0,1,0,0,0|1,0,1]=3
10  B16R0.303  OCCCCCCCCCCCCCCCO 11975 [0,0,1,0,0,0|0,0,2]=3
11  B15R0.70  C=CCCCCCCCCCCCCCO D97263 [1,0,1,0,0,0|0,0,1]=3
12  B15R0.70  NCCCCCCCCCCCCCCN AC8480 [1,0,1,0,0,0|2,0,0]=4
13  B15R0.81  COC(=O)CCCCCCCCCCCBr AC2363 [1,0,1,0,0,0|1,0,0]=3
14  B15R0.81  COC(=O)CCCCCCCCCCCN W18554 [1,0,1,0,0,0|1,0,0]=3
15  B15R0.366  CCCCCCCCCCCC(=O)OCCl A11157 [1,0,1,0,0,0|1,0,0]=3
16  B15R0.2002  CCCCCCCCCC[C@@H](C)CCCC D93033 [1,0,1,0,0,0|1,0,1]=4
17  B15R0.133  CCCCCCOC(=O)OCCCCCC C76404 [1,0,1,0,0,0|1,0,0]=3
18  B15R0.164  C#CCCCCCCCCCCCC(=O)O W15678 [1,0,1,0,0,0|0,0,2]=4
19  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] 42117 [1,0,1,0,0,0|0,0,1]=3
20  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O D87855 [1,0,1,0,0,0|0,0,2]=4
21  B17R0.256  CCOC(=O)CCCCCCCCCCC(=O)O T71188 [0,1,1,0,0,0|1,0,1]=4
22  B17R0.12412  CCCCCCCCCCC(=O)CCCCCC D93031 [0,1,1,0,0,0|1,0,0]=3
23  B17R0.104  CCCCCCCCS(=O)CCCCCCCC T70520 [0,1,1,0,0,0|2,0,0]=4
24  B17R0.13601  CCCCCCCCCCCC(=O)CC(=O)OC H11047 [0,1,1,0,0,0|0,0,1]=3
25  B17R0.43  CCCCCC\C=C/CCCCCCCC(N)=O D93056 [0,1,1,0,0,0|1,0,1]=4
26  B17R0.43  NCCCCCCCCCCCCCCC(=O)O AC4715 [0,1,1,0,0,0|0,0,0]=2
27  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr C75652 [0,1,1,0,0,0|0,0,0]=2
28  B17R0.197  CCCCCCCCCCCCCCC(C)(C)O D93210 [0,1,1,0,0,0|1,0,1]=4
29  B17R0.197  CCCCCCCCCCCCCCP(=O)(O)O T72493 [0,1,1,0,0,0|1,0,0]=3
30  B17R0.117  CCCCCCCCCCCCCCOCCO A12270 [0,1,1,0,0,0|0,0,2]=4
31  B17R0.117  OCCCCCCCCCCCCCCCCBr 66902 [0,1,1,0,0,0|1,0,1]=4
32  B19R1.195866  O=C1CCCCCCCCCCCC(=O)OCCO1 D77704 [0,1,0,0,0,1|0,0,1]=3
33  B17R1.11  CCCCCCCCCCC1CCC(=O)CC1 W17272 [0,0,1,1,0,0|1,0,0]=3