0 B31R4.658664122 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C=C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:73926 [0,0,0,0,0,0|0,0,2]=2 1 B31R4.658664122 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C CHEBI:88104 [0,0,0,0,0,0|0,0,2]=2 2 B31R4.658664122 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:88098 [0,0,0,0,0,0|0,0,0]=0 3 B31R4.658664122 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:28834 [0,0,0,0,0,0|0,0,0]=0 4 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C CHEBI:87734 [0,0,0,0,0,0|0,0,3]=3 5 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:87733 [0,0,0,0,0,0|0,0,1]=1 6 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:23614 [0,0,0,0,0,0|0,0,1]=1 7 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:9177 [0,0,0,0,0,0|0,0,1]=1 8 B30R4.2228022101 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C CHEBI:17639 [1,0,0,0,0,0|0,0,2]=3 9 B30R4.2228022101 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C CHEBI:81253 [1,0,0,0,0,0|0,0,0]=1 10 B30R4.2228022101 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C CHEBI:16325 [1,0,0,0,0,0|0,0,0]=1 11 B30R4.2228022101 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C CHEBI:11867 [1,0,0,0,0,0|0,0,3]=4 12 B30R4.2228022101 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C CHEBI:87728 [1,0,0,0,0,0|0,0,1]=2 13 B30R4.2228022101 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C CHEBI:29744 [1,0,0,0,0,0|0,0,1]=2 14 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:16312 [0,1,0,0,0,0|0,0,2]=3 15 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:36240 [0,1,0,0,0,0|0,0,0]=1 16 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:16390 [0,1,0,0,0,0|0,0,1]=2 17 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C CHEBI:88108 [0,1,0,0,0,0|0,0,2]=3 18 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C CHEBI:88105 [0,1,0,0,0,0|0,0,0]=1 19 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:16359 [0,1,0,0,0,0|0,0,0]=1 20 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:11901 [0,1,0,0,0,0|0,0,3]=4 21 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:15755 [0,1,0,0,0,0|0,0,1]=2 22 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:11893 [0,1,0,0,0,0|0,0,2]=3 23 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C CHEBI:87736 [0,1,0,0,0,0|0,0,3]=4 24 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C CHEBI:87735 [0,1,0,0,0,0|0,0,1]=2 25 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:26711 [0,1,0,0,0,0|0,0,1]=2 26 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:29747 [0,1,0,0,0,0|0,0,1]=2 27 B29R4.6025907869 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@]34C)C CHEBI:49275 [2,0,0,0,0,0|0,0,2]=4 28 B29R4.6025907869 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C CHEBI:36237 [2,0,0,0,0,0|0,0,0]=2 29 B29R4.6025907869 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C CHEBI:36239 [2,0,0,0,0,0|0,0,0]=2 30 B29R4.6025907869 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C CHEBI:36238 [2,0,0,0,0,0|0,0,0]=2 31 B31R4.2976477974 C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:50108 [1,1,0,0,0,0|0,0,1]=3 32 B31R4.2567562094 CC(CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:363227 [1,1,0,0,0,0|0,0,0]=2 33 B31R4.2567562094 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:52023 [1,1,0,0,0,0|0,0,0]=2 34 B31R4.2567562094 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:72724 [1,1,0,0,0,0|0,0,0]=2 35 B31R4.2567562094 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:52030 [1,1,0,0,0,0|0,0,0]=2 36 B31R4.2567562094 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:58875 [1,1,0,0,0,0|0,0,1]=3 37 B31R4.2567562094 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:58876 [1,1,0,0,0,0|0,0,1]=3 38 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@@H](C4)O)C)C CHEBI:82678 [1,1,0,0,0,0|0,0,1]=3 39 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C CHEBI:82679 [1,1,0,0,0,0|0,0,1]=3 40 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C CHEBI:88097 [1,1,0,0,0,0|0,0,2]=4 41 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:88102 [1,1,0,0,0,0|0,0,0]=2 42 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:16755 [1,1,0,0,0,0|0,0,0]=2 43 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:43419 [1,1,0,0,0,0|0,0,0]=2 44 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:9907 [1,1,0,0,0,0|0,0,0]=2 45 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@@H](C4)O)C)C CHEBI:78603 [1,1,0,0,0,0|0,0,2]=4 46 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C CHEBI:78605 [1,1,0,0,0,0|0,0,2]=4 47 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:87730 [1,1,0,0,0,0|0,0,1]=3 48 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:36234 [1,1,0,0,0,0|0,0,1]=3 49 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CHEBI:78602 [1,1,0,0,0,0|0,0,1]=3 50 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHEBI:78604 [1,1,0,0,0,0|0,0,1]=3 51 B33R4.2673725916 C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CHEBI:488147 [0,2,0,0,0,0|0,0,0]=2