0 B15R0.164 CCCCCCCCCCCCCC(=O)O HY-N2041 [0,0,0,0,0,0|0,0,0]=0 1 B15R0.164 CCCCCCCCCCCCCC(=O)O HY-N2041R [0,0,0,0,0,0|0,0,0]=0 2 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] HY-16325A [0,0,0,0,0,0|0,0,1]=1 3 B15R0.164 CCCCCCCCCCCCCC(C)=O HY-W129471 [0,0,0,0,0,0|1,0,0]=1 4 B15R0.164 CCCCCCCCCCCCCC(N)=O HY-W099583 [0,0,0,0,0,0|1,0,0]=1 5 B15R0.164 CCCCCCCCCCCCNC(=N)N HY-117451 [0,0,0,0,0,0|3,0,0]=3 6 B15R0.164 COCCOCCOCCOCCC(=O)O HY-W067509 [0,0,0,0,0,0|4,0,0]=4 7 B15R0.164 [N-]=[N+]=NCCCCCCCCCCC(=O)O HY-151655 [0,0,0,0,0,0|3,0,0]=3 8 B14R0.392 CCCCCCCCCCCCCCC HY-N7926 [1,0,0,0,0,0|1,0,1]=3 9 B14R0.392 CCCCCCCCCCCCCCO HY-W004294 [1,0,0,0,0,0|0,0,1]=2 10 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] HY-W590543 [1,0,0,0,0,0|3,0,0]=4 11 B14R0.394 CCCCCCCCCCCCC(=O)O HY-Y1718 [1,0,0,0,0,0|0,0,0]=1 12 B14R0.394 NCCCCCCCCCCCC(=O)O HY-W105740 [1,0,0,0,0,0|1,0,0]=2 13 B14R0.394 O=C(O)CCCCCCCCCCCO HY-128743 [1,0,0,0,0,0|1,0,0]=2 14 B16R0.221 CCCCCCCCCCCCCC(=O)OC HY-W004288 [0,1,0,0,0,0|0,0,0]=1 15 B16R0.221 CCCCCCCCCCCCCC(=O)O[Na] HY-W127604 [0,1,0,0,0,0|0,0,0]=1 16 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O HY-W012017 [0,1,0,0,0,0|0,0,0]=1 17 B16R0.274 CCCCCCCCCCCCCCC(=O)O HY-W004283 [0,1,0,0,0,0|0,0,0]=1 18 B16R0.274 CCCC\C=C/CCCCCCCCC(=O)O HY-120996B [0,1,0,0,0,0|0,0,1]=2 19 B16R0.274 CCCC\C=C\CCCCCCCCC(=O)O HY-120996 [0,1,0,0,0,0|0,0,1]=2 20 B16R0.274 [N-]=[N+]=NCCCCCCCCCCCC(=O)O HY-151855 [0,1,0,0,0,0|2,0,0]=3 21 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O HY-W009544 [0,1,0,0,0,0|0,0,0]=1 22 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O HY-W288375 [0,1,0,0,0,0|0,0,0]=1 23 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O HY-125802 [0,1,0,0,0,0|2,0,0]=3 24 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O HY-166240 [0,1,0,0,0,0|1,0,1]=3 25 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O HY-128421 [0,1,0,0,0,0|1,0,1]=3 26 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O HY-128421R [0,1,0,0,0,0|1,0,1]=3 27 B13R0.336 CCCCCCCCCCCCCO HY-W004293 [2,0,0,0,0,0|0,0,0]=2 28 B13R0.336 NCCCCCCCCCCCCN HY-W014883 [2,0,0,0,0,0|2,0,0]=4 29 B13R0.336 OCCCCCCCCCCCCO HY-W014779 [2,0,0,0,0,0|1,0,0]=3 30 B13R0.336 OCCCCCOCCCCCCCl HY-43199 [2,0,0,0,0,0|2,0,0]=4 31 B13R0.54 CCCCCCCCCCCC(=O)O HY-Y0366 [2,0,0,0,0,0|0,0,0]=2 32 B13R0.54 CCCCCCCCCCCC(=O)O HY-Y0366R [2,0,0,0,0,0|0,0,0]=2 33 B13R0.54 CCCCCCCCCCCC(C)=O HY-W009811 [2,0,0,0,0,0|1,0,0]=3 34 B13R0.54 CCCCCCCCCCC[13C](=O)O HY-Y0366S [2,0,0,0,0,0|0,0,0]=2 35 B13R0.54 NCCCCCCCCCCC(=O)O HY-W014831 [2,0,0,0,0,0|1,0,0]=3 36 B13R0.54 O=C(O)CCCCCCCCCCS HY-W014069 [2,0,0,0,0,0|1,0,0]=3 37 B15R0.70 CCCCCCCCCCCCCCCC HY-W099580 [1,1,0,0,0,0|1,0,1]=4 38 B15R0.70 CCCCCCCCCCCCCC[13CH2]Br HY-W110705S [1,1,0,0,0,0|1,0,1]=4 39 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O HY-W012241 [1,1,0,0,0,0|1,0,1]=4 40 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC HY-W013359 [0,2,0,0,0,0|1,0,1]=4 41 B17R0.195 CCCCCCCCCCCCCCC(=O)OC HY-W004289 [0,2,0,0,0,0|0,0,0]=2 42 B17R0.250 C=COC(=O)CCCCCCCCCCCCC HY-W106434 [0,2,0,0,0,0|0,0,0]=2 43 B17R0.250 CCCCCCCCCCCCCC(=O)OCC HY-W099586 [0,2,0,0,0,0|0,0,0]=2 44 B17R0.14367 CCCCCCCCCCCCOS(=O)(=O)O[Na] HY-Y0316 [0,2,0,0,0,0|2,0,0]=4 45 B17R0.14367 CCCCCCCCCCCCOS(=O)(=O)O[Na] HY-Y0316B [0,2,0,0,0,0|2,0,0]=4 46 B17R0.14367 [Li]OS(=O)(=O)OCCCCCCCCCCCC HY-W099535 [0,2,0,0,0,0|2,0,0]=4 47 B17R0.43 C(CCCCCC)=CCCCCCCCC(=O)O HY-W011873 [0,2,0,0,0,0|0,0,0]=2 48 B17R0.43 CCCCCCCCCCCCCCCC(=O)O HY-N0830 [0,2,0,0,0,0|0,0,0]=2 49 B17R0.43 CCCCCCCCCCCCCCCC(=O)O HY-N0830R [0,2,0,0,0,0|0,0,0]=2 50 B17R0.43 CCCCCCCCCCCCCCCC(N)=O HY-121389 [0,2,0,0,0,0|1,0,0]=3 51 B17R0.43 CCCCCCCCCCCCCCC[13C](=O)O HY-N0830S3 [0,2,0,0,0,0|0,0,0]=2 52 B17R0.43 CCCCCCCCCCCCCCOC(C)=O HY-W042284 [0,2,0,0,0,0|1,0,0]=3 53 B17R0.43 CCCCCCCCCCCCCC[13CH2][13C](=O)O HY-N0830S10 [0,2,0,0,0,0|0,0,0]=2 54 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)Cl HY-116955 [0,2,0,0,0,0|1,0,0]=3 55 B17R0.43 CCCCCC\C=C/CCCCCCCC(N)=O HY-W398166 [0,2,0,0,0,0|1,0,0]=3 56 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O HY-N2341 [0,2,0,0,0,0|0,0,0]=2 57 B17R0.43 O=C(O)CCCCCCCCCCCCCCO HY-W105734 [0,2,0,0,0,0|0,0,0]=2 58 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O HY-W141880 [0,2,0,0,0,0|0,0,1]=3 59 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O HY-W011819 [0,2,0,0,0,0|0,0,1]=3 60 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 HY-W035362 [0,1,0,1,0,0|0,0,0]=2 61 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 HY-N0633 [0,1,0,1,0,0|1,0,0]=3