0 B15R0.366 CCCCCCCCCCCC(=O)OCC D70267 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.337 CCCCCCCCCCCC(=O)NC D91599 [1,0,0,0,0,0|1,0,0]=2 2 B14R0.337 CCCCCCCCCCCC(=O)OC D77652 [1,0,0,0,0,0|0,0,0]=1 3 B14R0.337 COC(=O)CCCCCCCCCCBr F20921 [1,0,0,0,0,0|1,0,0]=2 4 B14R0.392 CCCCCCCCCCCCCCBr D70994 [1,0,0,0,0,0|2,0,1]=4 5 B14R0.392 CCCCCCCCCCCCCCC D97801 [1,0,0,0,0,0|1,0,1]=3 6 B14R0.392 CCCCCCCCCCCCCCCl F19566 [1,0,0,0,0,0|2,0,1]=4 7 B14R0.392 CCCCCCCCCCCCCCN F20969 [1,0,0,0,0,0|2,0,1]=4 8 B14R0.392 CCCCCCCCCCCCCCO D77653 [1,0,0,0,0,0|2,0,1]=4 9 B14R0.392 CCCCCCCCCCCCCCS D92299 [1,0,0,0,0,0|2,0,1]=4 10 B14R0.392 CCCCCCCCCCCCOC=O D93435 [1,0,0,0,0,0|1,0,2]=4 11 B14R0.392 CCCCCCCCCCCOCCO D80540 [1,0,0,0,0,0|3,0,0]=4 12 B14R0.392 CCCCCCCNCCCCCCC F17086 [1,0,0,0,0,0|2,0,1]=4 13 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [1,0,0,0,0,0|0,0,0]=1 14 B14R0.393 CCOC(=O)CCCCCCCCCBr T71050 [1,0,0,0,0,0|1,0,0]=2 15 B16R0.61 CCOC(=O)CCCCCCCCCCCBr C10421 [0,1,0,0,0,0|0,0,0]=1 16 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC A10834 [0,1,0,0,0,0|1,0,1]=3 17 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C 35765 [0,1,0,0,0,0|0,0,0]=1 18 B16R0.661 CCCCCCCCCCCC(=O)NCCO 35770 [0,1,0,0,0,0|1,0,0]=2 19 B16R0.661 CCCCCCCCCCCC(=O)OCCC 35867 [0,1,0,0,0,0|0,0,0]=1 20 B16R0.661 CCCCCCCCCCCC(=O)OCCCl F17127 [0,1,0,0,0,0|0,0,0]=1 21 B16R1.27 CCCCCCCCC[C@H]1CCCC(=O)O1 D92454 [0,0,0,1,0,0|2,0,0]=3 22 B16R1.8816 O=C1CCCCCCCCCCCCCC1 D78409 [0,0,0,1,0,0|1,0,0]=2 23 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [2,0,0,0,0,0|0,0,1]=3 24 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [2,0,0,0,0,0|0,0,1]=3 25 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [2,0,0,0,0,0|0,0,0]=2 26 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [2,0,0,0,0,0|1,0,0]=3 27 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [2,0,0,0,0,0|0,0,2]=4 28 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [2,0,0,0,0,0|2,0,0]=4 29 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [2,0,0,0,0,0|1,0,0]=3 30 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [2,0,0,0,0,0|1,0,0]=3 31 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [2,0,0,0,0,0|1,0,0]=3 32 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [2,0,0,0,0,0|1,0,0]=3 33 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [2,0,0,0,0,0|0,0,0]=2 34 B13R0.336 CCCCCCCCCCCCCBr H10622 [2,0,0,0,0,0|1,0,1]=4 35 B13R0.336 CCCCCCCCCCCCCCl T71361 [2,0,0,0,0,0|1,0,1]=4 36 B13R0.336 CCCCCCCCCCCCCN D88319 [2,0,0,0,0,0|1,0,1]=4 37 B13R0.336 CCCCCCCCCCCCCO H10847 [2,0,0,0,0,0|1,0,1]=4 38 B13R0.336 CCCCCCCCCCCCSC D90223 [2,0,0,0,0,0|0,1,1]=4 39 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [2,0,0,0,0,0|1,0,0]=3 40 B13R0.2 CCCCCCCCOC(=O)CCC D95731 [2,0,0,0,0,0|2,0,0]=4 41 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [2,0,0,0,0,0|1,0,0]=3 42 B15R0.81 CCCCCCCCCCCCC(=O)OC H10828 [1,1,0,0,0,0|0,0,0]=2 43 B15R0.247 COC(=O)CCCCCCCCCC(=O)O A12480 [1,1,0,0,0,0|1,0,1]=4 44 B15R0.70 CCCCCCCCCCCCCCCBr D88716 [1,1,0,0,0,0|1,0,1]=4 45 B15R0.70 CCCCCCCCCCCCCCCC D97389 [1,1,0,0,0,0|1,0,1]=4 46 B15R0.70 CCCCCCCCCCCCCCCO H10901 [1,1,0,0,0,0|1,0,1]=4 47 B15R0.70 CCCCCCCCCCCCCCCS T72169 [1,1,0,0,0,0|1,0,1]=4 48 B15R0.133 CCCCCCCC(O)CCCCCCC D92914 [1,1,0,0,0,0|1,0,1]=4 49 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC D92257 [1,1,0,0,0,0|1,0,1]=4 50 B17R0.250 CCCCCCCCCCCCCC(=O)OCC AC8510 [0,2,0,0,0,0|0,0,0]=2 51 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC AC8428 [0,2,0,0,0,0|1,0,0]=3 52 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O F14783 [0,2,0,0,0,0|1,0,1]=4 53 B15R1.2988 C1CCCCCCCCCCCCCC1 D89373 [1,0,0,1,0,0|1,0,1]=4 54 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 69429 [0,1,0,1,0,0|1,0,0]=3 55 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 D89318 [0,1,0,1,0,0|1,0,1]=4 56 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 F20373 [0,1,0,1,0,0|0,0,0]=2