0 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 D89318 [0,0,0,0,0,0|1,0,2]=3 1 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 F20373 [0,0,0,0,0,0|0,0,0]=0 2 B16R0.61 CCOC(=O)CCCCCCCCCCCBr C10421 [0,0,1,0,0,0|1,0,0]=2 3 B16R0.221 C=CC(=O)NCCCCCCCCCCCC D90172 [0,0,1,0,0,0|1,0,2]=4 4 B16R0.221 C=CC(=O)OCCCCCCCCCCCC F20309 [0,0,1,0,0,0|0,0,2]=3 5 B16R0.221 CCCCCCCCCCCCCC(=O)CC D90903 [0,0,1,0,0,0|1,0,0]=2 6 B16R0.221 CCCCCCCCCCCCCC(=O)OC H10750 [0,0,1,0,0,0|0,0,0]=1 7 B16R0.274 CCCCCCCCCCCCCCC(=O)O H10804 [0,0,1,0,0,0|0,0,0]=1 8 B16R0.274 CCCCCCCCCCCCCOC(C)=O D88438 [0,0,1,0,0,0|0,0,0]=1 9 B16R0.274 O=C(O)CCCCCCCCCCCCCS D70092 [0,0,1,0,0,0|1,0,0]=2 10 B16R0.303 CCCCCCCCCCCCCCCCBr D70993 [0,0,1,0,0,0|2,0,1]=4 11 B16R0.303 CCCCCCCCCCCCCCCCC D97702 [0,0,1,0,0,0|2,0,1]=4 12 B16R0.303 CCCCCCCCCCCCCCCCI D91141 [0,0,1,0,0,0|2,0,1]=4 13 B16R0.661 CCCCCCCCCCCC(=O)NCCO 35770 [0,0,1,0,0,0|2,0,0]=3 14 B16R0.661 CCCCCCCCCCCC(=O)OCCC 35867 [0,0,1,0,0,0|0,0,0]=1 15 B16R0.661 CCCCCCCCCCCC(=O)OCCCl F17127 [0,0,1,0,0,0|1,0,0]=2 16 B16R1.8816 O=C1CCCCCCCCCCCCCC1 D78409 [0,0,0,0,1,0|0,0,0]=1 17 B15R0.70 BrCCCCCCCCCCCCCCBr H11742 [1,0,1,0,0,0|2,0,0]=4 18 B15R0.70 C#CCCCCCCCCCCCCCC D90869 [1,0,1,0,0,0|1,0,1]=4 19 B15R0.70 CCCCCCCCCCCCCCCBr D88716 [1,0,1,0,0,0|1,0,1]=4 20 B15R0.70 CCCCCCCCCCCCCCCC D97389 [1,0,1,0,0,0|1,0,1]=4 21 B15R0.70 CCCCCCCCCCCCCCCO H10901 [1,0,1,0,0,0|0,0,1]=3 22 B15R0.70 CCCCCCCCCCCCCCCS T72169 [1,0,1,0,0,0|0,1,1]=4 23 B15R0.70 OCCCCCCCCCCCCCCBr 67335 [1,0,1,0,0,0|1,0,0]=3 24 B15R0.70 OCCCCCCCCCCCCCCO 66505 [1,0,1,0,0,0|0,0,1]=3 25 B15R0.81 CCCCCCCCCCCCC(=O)OC H10828 [1,0,1,0,0,0|0,0,0]=2 26 B15R0.366 CCCCCCCCCCCC(=O)OCC D70267 [1,0,1,0,0,0|0,0,0]=2 27 B15R0.133 CCCCCCCC(=O)CCCCCCC D89880 [1,0,1,0,0,0|0,0,0]=2 28 B15R0.133 CCCCCCCC(=O)OCCCCCC D95774 [1,0,1,0,0,0|0,0,0]=2 29 B15R0.133 CCCCCCCC(O)CCCCCCC D92914 [1,0,1,0,0,0|0,0,2]=4 30 B15R0.164 CCCCCCCCCCCCCC(=O)Cl D97669 [1,0,1,0,0,0|1,0,0]=3 31 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] D95384 [1,0,1,0,0,0|0,0,1]=3 32 B15R0.164 CCCCCCCCCCCCCC(C)=O D92066 [1,0,1,0,0,0|0,0,0]=2 33 B15R0.164 CCCCCCCCCCCCOC(=O)Cl 35718 [1,0,1,0,0,0|1,0,0]=3 34 B17R0.250 CCCCCCCCCCCCCC(=O)OCC AC8510 [0,1,1,0,0,0|0,0,0]=2 35 B17R0.104 CCCCCCCCC(=O)CCCCCCCC F17749 [0,1,1,0,0,0|1,0,0]=3 36 B17R0.195 CCCCCCCCCCCCCCC(=O)OC H10934 [0,1,1,0,0,0|0,0,0]=2 37 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC 68436 [0,1,1,0,0,0|1,0,1]=4 38 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C A11103 [0,1,1,0,0,0|0,0,0]=2 39 B17R0.43 CCCCCCCCCCCCCCCC(=O)O AC9381 [0,1,1,0,0,0|0,0,0]=2 40 B17R0.43 CCCCCCCCCCCCCCCC(=O)O D93465 [0,1,1,0,0,0|0,0,0]=2 41 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] D91887 [0,1,1,0,0,0|0,0,1]=3 42 B17R0.43 CCCCCCCCCCCCCCCC(N)=O A11794 [0,1,1,0,0,0|1,0,0]=3 43 B17R0.43 CCCCCCCCCCCCCCC[13C](=O)O D78975 [0,1,1,0,0,0|0,0,0]=2 44 B17R0.43 CCCCCCCCCCCCCCOC(C)=O 25251 [0,1,1,0,0,0|0,0,0]=2 45 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O D82037 [0,1,1,0,0,0|0,0,1]=3 46 B17R0.43 O=C(O)CCCCCCCCCCCCCCO D90928 [0,1,1,0,0,0|0,0,0]=2 47 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O F14783 [0,1,1,0,0,0|1,0,1]=4 48 B17R0.1713 CC(=O)CCCCCCCCCCCC[C@H](C)O 68614 [0,1,1,0,0,0|1,0,0]=3 49 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O 28440 [0,1,1,0,0,0|1,0,1]=4 50 B17R0.117 CCCCCCCCCCCCCCCCC=O H10978 [0,1,1,0,0,0|1,0,0]=3 51 B17R0.117 CCCCCCCCCCCCCCCCCO O11822 [0,1,1,0,0,0|1,0,1]=4 52 B17R0.117 OCCCCCCCCCCCCCCCCO T72930 [0,1,1,0,0,0|0,0,2]=4 53 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 69429 [0,1,0,0,1,0|0,0,0]=2 54 B15R1.2988 C1CCCCCCCCCCCCCC1 D89373 [1,0,0,0,1,0|0,0,1]=3