0 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC CHEBI:84932 [0,0,0,0,0,0|0,0,0]=0 1 B19R0.182 CCCCCC\C=C/CCCCCCCC(=O)OCC CHEBI:84934 [0,0,0,0,0,0|0,0,2]=2 2 B18R0.171 CCCCCCCCCCCCCCCC(=O)CN CHEBI:67186 [1,0,0,0,0,0|1,0,0]=2 3 B18R0.171 CCCCCCCCCCCCCCCC(=O)C[NH3+] CHEBI:67177 [1,0,0,0,0,0|1,0,0]=2 4 B18R0.171 CCCCCCCCCCCCCCC[C@H](CN)O CHEBI:67187 [1,0,0,0,0,0|1,0,2]=4 5 B18R0.171 CCCCCCCCCCCCCCC[C@H](C[NH3+])O CHEBI:67108 [1,0,0,0,0,0|1,0,2]=4 6 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC CHEBI:84156 [1,0,0,0,0,0|0,0,2]=3 7 B18R0.171 [*]SC(=O)CCCCCCCCCCCCCCC CHEBI:5697 [1,0,0,0,0,0|1,1,0]=3 8 B18R0.221 CCCCCCCCCCCCCCCCCCC CHEBI:32927 [1,0,0,0,0,0|1,0,1]=3 9 B18R0.221 CCCCCCCCCCCCCCCCCCN CHEBI:63866 [1,0,0,0,0,0|2,0,1]=4 10 B18R0.221 CCCCCCCCCCCCCCCCCCO CHEBI:32154 [1,0,0,0,0,0|2,0,1]=4 11 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(CO)N CHEBI:46966 [0,1,0,0,0,0|2,0,0]=3 12 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@H](CO)N CHEBI:17862 [0,1,0,0,0,0|2,0,0]=3 13 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@H](CO)[NH3+] CHEBI:58299 [0,1,0,0,0,0|2,0,0]=3 14 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O CHEBI:50576 [0,1,0,0,0,0|2,0,1]=4 15 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C CHEBI:84262 [0,1,0,0,0,0|0,0,0]=1 16 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO CHEBI:71464 [0,1,0,0,0,0|1,0,0]=2 17 B20R0.32083 CCCCCC\C=C/CCCCCCCC(=O)NCCO CHEBI:71465 [0,1,0,0,0,0|1,0,2]=4 18 B17R0.117 CCCCCCCCCCCCCCCCCC CHEBI:32926 [2,0,0,0,0,0|0,0,1]=3 19 B17R0.117 CCCCCCCCCCCCCCCCCO CHEBI:77470 [2,0,0,0,0,0|1,0,1]=4 20 B17R0.117 CCCCCCCCCCCCCCC\C=C\C CHEBI:50574 [2,0,0,0,0,0|0,0,1]=3 21 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CHEBI:84849 [2,0,0,0,0,0|0,0,0]=2 22 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O CHEBI:79169 [2,0,0,0,0,0|1,0,0]=3 23 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)[O-] CHEBI:84203 [2,0,0,0,0,0|1,0,1]=4 24 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CHEBI:74475 [2,0,0,0,0,0|1,0,0]=3 25 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CHEBI:15756 [2,0,0,0,0,0|0,0,0]=2 26 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CHEBI:7896 [2,0,0,0,0,0|0,0,1]=3 27 B17R0.43 CCCCCCCCCCCCC\C=C\C(=O)O CHEBI:37252 [2,0,0,0,0,0|0,0,2]=4 28 B17R0.43 CCCCCCCCCCC\C=C/CCC(=O)O CHEBI:86140 [2,0,0,0,0,0|0,0,2]=4 29 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O CHEBI:76244 [2,0,0,0,0,0|0,0,2]=4 30 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O CHEBI:35465 [2,0,0,0,0,0|0,0,2]=4 31 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O CHEBI:28716 [2,0,0,0,0,0|0,0,2]=4 32 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:59265 [2,0,0,0,0,0|0,0,2]=4 33 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:72004 [2,0,0,0,0,0|0,0,2]=4 34 B17R0.43 CCCC\C=C/CCCCCCCCCC(=O)O CHEBI:35464 [2,0,0,0,0,0|0,0,2]=4 35 B19R0.148 CCC(C)CCCCCCCCCCCCCCCO CHEBI:84922 [1,1,0,0,0,0|1,0,1]=4 36 B19R0.153 CCCCCCCCCCCCCCCC(=O)[C@H](C)N CHEBI:67176 [1,1,0,0,0,0|0,0,0]=2 37 B19R0.153 CCCCCCCCCCCCCCCC(=O)[C@H](C)[NH3+] CHEBI:68828 [1,1,0,0,0,0|0,0,0]=2 38 B19R0.153 CCCCCCCCCCCCCCC[C@H]([C@H](C)N)O CHEBI:67106 [1,1,0,0,0,0|0,0,2]=4 39 B19R0.153 CCCCCCCCCCCCCCC[C@H]([C@H](C)[NH3+])O CHEBI:67109 [1,1,0,0,0,0|0,0,2]=4 40 B19R0.3096 CCCCCCCCCCCCCC(CC(=O)OC)O CHEBI:29479 [1,1,0,0,0,0|0,0,0]=2 41 B19R0.3096 CCCCCCCCCCCCC[C@@H](CC(=O)OC)O CHEBI:38246 [1,1,0,0,0,0|0,0,0]=2 42 B19R0.3096 CCCCCCCCCCCCC[C@H](CC(=O)OC)O CHEBI:38245 [1,1,0,0,0,0|0,0,0]=2 43 B19R0.36 CCCCCCCCCCCCCCCCCCCC CHEBI:43619 [1,1,0,0,0,0|1,0,1]=4 44 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC CHEBI:84936 [0,2,0,0,0,0|0,0,0]=2 45 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC CHEBI:84940 [0,2,0,0,0,0|0,0,0]=2 46 B21R0.2907 CCCCCC\C=C/CCCCCCCCCC(=O)OCC CHEBI:84942 [0,2,0,0,0,0|0,0,0]=2 47 B21R0.2907 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC CHEBI:31572 [0,2,0,0,0,0|0,0,2]=4 48 B21R0.36405 CCCCCCCCCCCCCCCC(=O)OC(C)(C)C CHEBI:131410 [0,2,0,0,0,0|0,0,0]=2 49 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC CHEBI:132549 [0,2,0,0,0,0|0,0,0]=2 50 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O CHEBI:39540 [0,2,0,0,0,0|1,0,1]=4