0 B11R0.148 C(CCCC=O)CCCC(=O)O CHEBI:78700 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.148 C(CCCC=O)CCCC(=O)[O-] CHEBI:77812 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 C(CCCCN)CCCC(=O)O CHEBI:73740 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.148 C(CCCCO)CCCC(=O)O CHEBI:79121 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.148 C(CCCN)CCCN=C(N)N CHEBI:133366 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.148 C(CCCO)CC\C=C\C(=O)O CHEBI:79115 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.148 C=CCCCCCCCC(=O)O CHEBI:32381 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 C=CCCCCCCCC(=O)[O-] CHEBI:33163 [0,0,0,0,0,0|0,0,3]=3 8 B11R0.148 CC(C)CCCCCCCCO CHEBI:87138 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.148 CCCCCCCCCC(=O)C CHEBI:17700 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.148 CCCCCCCCCC(=O)N CHEBI:38833 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.148 CCCCCCCCCC(=O)O CHEBI:30813 [0,0,0,0,0,0|0,0,0]=0 12 B11R0.148 CCCCCCCCCC(=O)[O-] CHEBI:27689 [0,0,0,0,0,0|0,0,1]=1 13 B11R0.148 CCCCCCCCCC(C)O CHEBI:77930 [0,0,0,0,0,0|1,0,1]=2 14 B11R0.148 CCCCCCCCOC(=O)C CHEBI:87495 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.148 CCCCCCCCSC(=O)C CHEBI:87547 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.148 CCCCCCC\C=C/C(=O)O CHEBI:50466 [0,0,0,0,0,0|0,0,2]=2 17 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50465 [0,0,0,0,0,0|0,0,2]=2 18 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50467 [0,0,0,0,0,0|0,0,2]=2 19 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:37809 [0,0,0,0,0,0|0,0,2]=2 20 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:61200 [0,0,0,0,0,0|0,0,2]=2 21 B11R0.148 CCCCCOCCOC(=O)C CHEBI:87270 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.148 CCCCC\C=C/CCC(=O)O CHEBI:32380 [0,0,0,0,0,0|0,0,2]=2 23 B11R0.148 CCCCC\C=C/CCC(=O)[O-] CHEBI:33161 [0,0,0,0,0,0|0,0,3]=3 24 B11R0.148 CCCCC\C=C\C=C\C(=O)O CHEBI:72614 [0,0,0,0,0,0|0,0,4]=4 25 B11R0.148 CS(=O)CCCCCCCC#N CHEBI:91154 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.148 CS(=O)CCCCCCCCN CHEBI:91158 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.4 C(CCCC(=O)O)CCCO CHEBI:79162 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.4 CCCCCCCCC(=O)C CHEBI:77929 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.4 CCCCCCCCC(=O)O CHEBI:29019 [1,0,0,0,0,0|0,0,0]=1 30 B10R0.4 CCCCCCCCC(=O)[O-] CHEBI:32361 [1,0,0,0,0,0|0,0,1]=2 31 B10R0.4 CS(=O)CCCCCCCN CHEBI:91155 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.71 CCCCCCCCCC#C CHEBI:87545 [1,0,0,0,0,0|1,0,1]=3 33 B10R0.71 CCCCCCCCCC=C CHEBI:77444 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCCCCCCC=O CHEBI:31457 [1,0,0,0,0,0|0,0,0]=1 35 B10R0.71 CCCCCCCCCCC CHEBI:46342 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.71 CCCCCCCCCCO CHEBI:28903 [1,0,0,0,0,0|0,0,1]=2 37 B10R0.71 CCCCCCCCOC=O CHEBI:87496 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.71 CCCCCCC\C=C\C=O CHEBI:133455 [1,0,0,0,0,0|0,0,2]=3 39 B10R0.71 CCCCCCC\C=C\C=O CHEBI:61727 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.71 CSCCCCCCCCN CHEBI:91159 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.71 CSCCCCCC\C=N\O CHEBI:50702 [1,0,0,0,0,0|2,0,1]=4 42 B12R0.4 C(CCCO)CC[C@H](CC(=O)O)O CHEBI:79257 [0,1,0,0,0,0|1,0,0]=2 43 B12R0.4 CCCCCCCC(=O)CC(=O)O CHEBI:37157 [0,1,0,0,0,0|0,0,1]=2 44 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] CHEBI:75923 [0,1,0,0,0,0|0,0,2]=3 45 B12R0.4 CCCCCCCC(CC(=O)O)O CHEBI:132983 [0,1,0,0,0,0|0,0,0]=1 46 B12R0.4 CCCCCCCC(CC(=O)[O-])O CHEBI:132979 [0,1,0,0,0,0|0,0,1]=2 47 B12R0.4 CCCCCCC[C@@H](CC(=O)O)O CHEBI:37371 [0,1,0,0,0,0|0,0,0]=1 48 B12R0.95 C(CCC(=O)OCCO)CC(=O)O CHEBI:84086 [0,1,0,0,0,0|2,0,1]=4 49 B12R0.119 CCCCCCCCNS(=O)(=O)O CHEBI:83089 [0,1,0,0,0,0|2,0,0]=3 50 B12R0.119 CCCCCCCCNS(=O)(=O)[O-] CHEBI:83000 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.119 CCCCCCCCOS(=O)(=O)O CHEBI:83122 [0,1,0,0,0,0|2,0,0]=3 52 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] CHEBI:83021 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.234 C(CCCCC(=O)O)CCCC=O CHEBI:17130 [0,1,0,0,0,0|0,0,1]=2 54 B12R0.234 C(CCCCC(=O)O)CCCCO CHEBI:17409 [0,1,0,0,0,0|0,0,0]=1 55 B12R0.234 C(CCCCC(=O)[O-])CCCC=O CHEBI:58022 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.234 C(CCCCC(=O)[O-])CCCCO CHEBI:11305 [0,1,0,0,0,0|0,0,1]=2 57 B12R0.234 C(CCC\C=C\C(=O)O)CCCO CHEBI:78668 [0,1,0,0,0,0|0,0,2]=3 58 B12R0.234 C=CCCCCCCCCC(=O)O CHEBI:35045 [0,1,0,0,0,0|0,0,1]=2 59 B12R0.234 C=CCCCCCCCCC(=O)[O-] CHEBI:83041 [0,1,0,0,0,0|0,0,2]=3 60 B12R0.234 CC(=O)NCCCCNCCCN CHEBI:27911 [0,1,0,0,0,0|3,0,0]=4 61 B12R0.234 CC(=O)NCCCC[NH2+]CCC[NH3+] CHEBI:58535 [0,1,0,0,0,0|3,0,0]=4 62 B12R0.234 CC(=O)NCCCNCCCCN CHEBI:17927 [0,1,0,0,0,0|3,0,0]=4 63 B12R0.234 CC(=O)NCCC[NH2+]CCCC[NH3+] CHEBI:58324 [0,1,0,0,0,0|3,0,0]=4 64 B12R0.234 CCCCCCCCCCC(=O)O CHEBI:32368 [0,1,0,0,0,0|0,0,0]=1 65 B12R0.234 CCCCCCCCCCC(=O)[O-] CHEBI:32369 [0,1,0,0,0,0|0,0,1]=2 66 B12R0.234 CCCCCCCCCOC(=O)C CHEBI:87511 [0,1,0,0,0,0|1,0,0]=2 67 B12R0.234 CCCCCCCC\C=C/C(=O)O CHEBI:39451 [0,1,0,0,0,0|0,0,1]=2 68 B12R0.234 CCCCCCCC\C=C\C(=O)O CHEBI:39449 [0,1,0,0,0,0|0,0,1]=2 69 B12R0.234 CCCCCCCC\C=C\C(=O)O CHEBI:39450 [0,1,0,0,0,0|0,0,1]=2 70 B12R0.234 CS(=O)CCCCCCCCC#N CHEBI:91153 [0,1,0,0,0,0|2,0,1]=4 71 B12R0.234 C\C=C/CCCCCCCC(=O)O CHEBI:39454 [0,1,0,0,0,0|0,0,1]=2 72 B12R0.234 C\C=C\CCCCCCCC(=O)O CHEBI:39452 [0,1,0,0,0,0|0,0,1]=2 73 B12R0.234 C\C=C\CCCCCCCC(=O)O CHEBI:39453 [0,1,0,0,0,0|0,0,1]=2 74 B12R0.248 CCCCCCCCCC(=O)NO CHEBI:32350 [0,1,0,0,0,0|0,0,0]=1 75 B12R0.248 CCCCCCCCCC(=O)OC CHEBI:87658 [0,1,0,0,0,0|0,0,0]=1 76 B12R0.248 CCCCCCCCCC(C)CI CHEBI:84222 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.248 [*]SC(=O)CCCCCCCCC CHEBI:4349 [0,1,0,0,0,0|0,1,0]=2 78 B12R0.251 C(CC[NH2+]CC[C@@H](C(=O)[O-])[NH3+])C[NH3+] CHEBI:65072 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.251 C(C[C@@H](C(=O)O)N)CNCCCN CHEBI:66868 [0,1,0,0,0,0|2,0,0]=3 80 B12R0.251 CCCCCCCCC(C(=O)O)Br CHEBI:72820 [0,1,0,0,0,0|0,0,0]=1 81 B12R0.251 CCCCCCCCC(C(=O)O)O CHEBI:133172 [0,1,0,0,0,0|0,0,0]=1 82 B12R0.251 CCCCCCCCC(C(=O)[O-])O CHEBI:133174 [0,1,0,0,0,0|0,0,1]=2 83 B12R0.251 CSCCCCCCC(C(=O)O)N CHEBI:50712 [0,1,0,0,0,0|1,0,0]=2 84 B12R0.251 CSCCCCCCC(C(=O)[O-])[NH3+] CHEBI:58834 [0,1,0,0,0,0|1,0,1]=3 85 B12R0.255 CCCCCCC(=O)NCC(=O)O CHEBI:74433 [0,1,0,0,0,0|1,0,1]=3 86 B12R0.255 CCCCCCC(C)CCC(C)C CHEBI:77445 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.268 C(CCC(=O)O)CCOCC(=O)O CHEBI:84088 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.268 C(CCCC(=O)O)CCCC(=O)O CHEBI:48131 [0,1,0,0,0,0|1,0,1]=3 89 B12R0.268 C(CCCC(=O)[O-])CCCC(=O)[O-] CHEBI:78208 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.268 C[C@H](CCCCCCCC(=O)O)O CHEBI:78951 [0,1,0,0,0,0|0,0,0]=1 91 B12R0.268 C[C@H](CCCCC\C=C\C(=O)O)O CHEBI:78853 [0,1,0,0,0,0|0,0,2]=3 92 B12R0.277 CCCC(CCCCOC(=O)C)Cl CHEBI:87266 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.28 CCCCCC1CCCC(=O)O1 CHEBI:87327 [0,0,0,1,0,0|0,0,0]=1 94 B12R1.255 C1CSSC1CCCCC(=O)N CHEBI:17460 [0,0,0,1,0,0|3,0,0]=4 95 B12R1.255 C1CSSC1CCCCC(=O)O CHEBI:16494 [0,0,0,1,0,0|2,0,0]=3 96 B12R1.255 C1CSSC1CCCCC(=O)[O-] CHEBI:30313 [0,0,0,1,0,0|2,0,1]=4 97 B12R1.255 C1CSS[C@@H]1CCCCC(=O)N CHEBI:83094 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.255 C1CSS[C@@H]1CCCCC(=O)O CHEBI:30314 [0,0,0,1,0,0|2,0,0]=3 99 B12R1.255 C1CSS[C@@H]1CCCCC(=O)[O-] CHEBI:83088 [0,0,0,1,0,0|2,0,1]=4 100 B12R1.255 C1CSS[C@H]1CCCCC(=O)O CHEBI:43796 [0,0,0,1,0,0|2,0,0]=3 101 B9R0.2 C(CCCO)CCC(=O)O CHEBI:79112 [2,0,0,0,0,0|1,0,0]=3 102 B9R0.2 CCCCCC#CC(=O)O CHEBI:60295 [2,0,0,0,0,0|0,0,2]=4 103 B9R0.2 CCCCCCCC(=O)C CHEBI:77927 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.2 CCCCCCCC(=O)O CHEBI:28837 [2,0,0,0,0,0|0,0,0]=2 105 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:132100 [2,0,0,0,0,0|0,0,1]=3 106 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:25646 [2,0,0,0,0,0|0,0,1]=3 107 B9R0.2 CCCCCCCC(C)O CHEBI:78304 [2,0,0,0,0,0|1,0,1]=4 108 B9R0.2 CCCCCCOC(=O)C CHEBI:87510 [2,0,0,0,0,0|2,0,0]=4 109 B9R0.2 CCCCCSCC(=O)O CHEBI:65241 [2,0,0,0,0,0|1,0,0]=3 110 B9R0.2 CCCCC\C=C\C(=O)O CHEBI:86544 [2,0,0,0,0,0|0,0,2]=4 111 B9R0.2 CCOCCOCC(=O)O CHEBI:131424 [2,0,0,0,0,0|2,0,0]=4 112 B9R0.2 COCCOCCC(=O)O CHEBI:67254 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.45 C(CC=O)CNCCCN CHEBI:51824 [2,0,0,0,0,0|2,0,0]=4 114 B9R0.45 C(CC=O)C[NH2+]CCC[NH3+] CHEBI:58869 [2,0,0,0,0,0|2,0,0]=4 115 B9R0.45 C(CCCCN)CCCN CHEBI:73112 [2,0,0,0,0,0|2,0,0]=4 116 B9R0.45 C(CCCCO)CCCO CHEBI:44630 [2,0,0,0,0,0|1,0,0]=3 117 B9R0.45 CCCCCCCCC#C CHEBI:87322 [2,0,0,0,0,0|0,0,2]=4 118 B9R0.45 CCCCCCCCC=C CHEBI:87315 [2,0,0,0,0,0|0,0,1]=3 119 B9R0.45 CCCCCCCCC=O CHEBI:84268 [2,0,0,0,0,0|0,0,0]=2 120 B9R0.45 CCCCCCCCCC CHEBI:41808 [2,0,0,0,0,0|0,0,1]=3 121 B9R0.45 CCCCCCCCCO CHEBI:35986 [2,0,0,0,0,0|0,0,0]=2 122 B9R0.45 CCCCCCCCOO CHEBI:25644 [2,0,0,0,0,0|1,0,0]=3 123 B9R0.45 CCCCCC\C=C\C=O CHEBI:61726 [2,0,0,0,0,0|0,0,2]=4 124 B11R0.30 C(CCCC(=O)O)CCC(=O)O CHEBI:9300 [1,1,0,0,0,0|1,0,1]=4 125 B11R0.30 C[C@H](CCCCCCC(=O)O)O CHEBI:78839 [1,1,0,0,0,0|0,0,0]=2 126 B11R0.30 C[C@H](CCCC\C=C\C(=O)O)O CHEBI:78819 [1,1,0,0,0,0|0,0,2]=4 127 B11R0.40 CCCCCCC#CC(=O)OC CHEBI:51749 [1,1,0,0,0,0|0,0,2]=4 128 B11R0.40 CCCCCCCCC(=O)OC CHEBI:44499 [1,1,0,0,0,0|0,0,0]=2 129 B11R0.42 C(CN)CNCC[C@@H](C(=O)O)N CHEBI:67204 [1,1,0,0,0,0|2,0,0]=4 130 B11R0.42 CCCCCCCC(=O)C(=O)O CHEBI:55523 [1,1,0,0,0,0|0,0,1]=3 131 B11R0.42 CCCCCCCC(=O)C(=O)[O-] CHEBI:55525 [1,1,0,0,0,0|0,0,2]=4 132 B11R0.42 CCCCCCCC(C(=O)O)O CHEBI:73753 [1,1,0,0,0,0|0,0,0]=2 133 B11R0.42 CCCCCCC[C@H](C(=O)O)O CHEBI:55538 [1,1,0,0,0,0|0,0,0]=2 134 B11R0.42 CCCCCCC[C@H](C(=O)[O-])O CHEBI:55540 [1,1,0,0,0,0|0,0,1]=3 135 B11R0.42 CSCCCCCC(C(=O)O)N CHEBI:50711 [1,1,0,0,0,0|1,0,0]=3 136 B11R0.42 CSCCCCCC(C(=O)[O-])[NH3+] CHEBI:58833 [1,1,0,0,0,0|1,0,1]=4 137 B11R0.46 CCCCCC(=O)NCC(=O)O CHEBI:64390 [1,1,0,0,0,0|1,0,1]=4 138 B11R0.46 CCCCCC(\C=C\C(=O)O)O CHEBI:86180 [1,1,0,0,0,0|0,0,2]=4 139 B11R0.147 CCCCC(C)CCOC(=O)C CHEBI:87326 [1,1,0,0,0,0|2,0,0]=4 140 B11R0.159 CCCCCCCCS(=O)(=O)O CHEBI:39422 [1,1,0,0,0,0|1,0,0]=3 141 B11R0.176 C(CCC(=O)N)CC(CCS)S CHEBI:17694 [1,1,0,0,0,0|2,0,0]=4 142 B11R0.176 C(CCC(=O)N)C[C@H](CCS)S CHEBI:43711 [1,1,0,0,0,0|2,0,0]=4 143 B11R0.176 C(CCC(=O)O)CC(CCS)S CHEBI:18047 [1,1,0,0,0,0|1,0,0]=3 144 B11R0.176 C(CCC(=O)O)C[C@@H](CCS)S CHEBI:30318 [1,1,0,0,0,0|1,0,0]=3 145 B11R0.176 C(CCC(=O)O)C[C@H](CCS)S CHEBI:45230 [1,1,0,0,0,0|1,0,0]=3 146 B11R0.176 C(CCC(=O)[O-])CC(CCS)S CHEBI:30316 [1,1,0,0,0,0|1,0,1]=4 147 B11R0.176 C(CCC(=O)[O-])C[C@H](CCS)S CHEBI:83093 [1,1,0,0,0,0|1,0,1]=4 148 B11R0.3 C=CCCCCCCCCCO CHEBI:131344 [1,1,0,0,0,0|1,0,0]=3 149 B11R0.3 CCCCCCCCCCC=O CHEBI:46202 [1,1,0,0,0,0|0,0,0]=2 150 B11R0.3 CCCCCCCCCCCC CHEBI:28817 [1,1,0,0,0,0|1,0,1]=4 151 B11R0.3 CCCCCCCCCCCO CHEBI:87499 [1,1,0,0,0,0|0,0,1]=3 152 B11R0.3 CCCCCCCC\C=C\C=O CHEBI:132843 [1,1,0,0,0,0|0,0,1]=3 153 B11R0.3 CSCCCCCCC\C=N\O CHEBI:50703 [1,1,0,0,0,0|1,0,0]=3 154 B11R0.4 CCCC(C)CCCCCC=C CHEBI:132846 [1,1,0,0,0,0|1,0,0]=3 155 B11R0.4 CCCCCCCC(C)CCC CHEBI:84250 [1,1,0,0,0,0|1,0,1]=4 156 B13R0.178 C[C@H](CCCCC[C@H](CC(=O)O)O)O CHEBI:79228 [0,2,0,0,0,0|0,0,0]=2 157 B13R0.335 C(CCC[C@H](CC(=O)O)O)CCCO CHEBI:79272 [0,2,0,0,0,0|0,0,0]=2 158 B13R0.335 CCCCCCCCC(C)CC(=O)O CHEBI:85059 [0,2,0,0,0,0|0,0,0]=2 159 B13R0.335 CCCCCCCCC(C)CC(=O)[O-] CHEBI:84184 [0,2,0,0,0,0|0,0,1]=3 160 B13R0.438 CCCCCC[C@H](C)[C@H](CC(=O)O)O CHEBI:71005 [0,2,0,0,0,0|0,0,0]=2 161 B13R0.188 C(CCC(=O)N)CC(CCSCN)S CHEBI:50622 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.280 CCCCCCCCCNS(=O)(=O)O CHEBI:83087 [0,2,0,0,0,0|1,0,0]=3 163 B13R0.280 CCCCCCCCCNS(=O)(=O)[O-] CHEBI:82999 [0,2,0,0,0,0|1,0,1]=4 164 B13R0.442 CC(C)CCCCCCNS(=O)(=O)O CHEBI:83098 [0,2,0,0,0,0|2,0,0]=4 165 B13R0.442 CC(C)CCCCCCOS(=O)(=O)O CHEBI:83073 [0,2,0,0,0,0|2,0,0]=4 166 B13R0.180 CC(=O)CNCCCCC(C(=O)O)N CHEBI:61061 [0,2,0,0,0,0|1,0,1]=4 167 B13R0.54 C(CCCCCO)CCCCC(=O)O CHEBI:79126 [0,2,0,0,0,0|0,0,0]=2 168 B13R0.54 C(CCCCO)CCC\C=C\C(=O)O CHEBI:79123 [0,2,0,0,0,0|0,0,1]=3 169 B13R0.54 C=CCCCCCCCCCC(=O)O CHEBI:38381 [0,2,0,0,0,0|0,0,0]=2 170 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CHEBI:84219 [0,2,0,0,0,0|1,0,1]=4 171 B13R0.54 CCCCCCCCCCCC(=O)C CHEBI:77928 [0,2,0,0,0,0|1,0,0]=3 172 B13R0.54 CCCCCCCCCCCC(=O)N CHEBI:34726 [0,2,0,0,0,0|1,0,0]=3 173 B13R0.54 CCCCCCCCCCCC(=O)O CHEBI:30805 [0,2,0,0,0,0|0,0,0]=2 174 B13R0.54 CCCCCCCCCCCC(=O)[O-] CHEBI:131839 [0,2,0,0,0,0|0,0,1]=3 175 B13R0.54 CCCCCCCCCCCC(=O)[O-] CHEBI:18262 [0,2,0,0,0,0|0,0,1]=3 176 B13R0.54 CCCCCCCCC\C=C/C(=O)O CHEBI:38372 [0,2,0,0,0,0|0,0,0]=2 177 B13R0.54 CCCCCCCCC\C=C\C(=O)O CHEBI:37162 [0,2,0,0,0,0|0,0,0]=2 178 B13R0.54 CCCCCCCCC\C=C\C(=O)O CHEBI:38371 [0,2,0,0,0,0|0,0,0]=2 179 B13R0.54 CCCCCCCCC\C=C\C(=O)[O-] CHEBI:84274 [0,2,0,0,0,0|0,0,1]=3 180 B13R0.54 CCCCCCCC\C=C/CC(=O)O CHEBI:37207 [0,2,0,0,0,0|0,0,0]=2 181 B13R0.54 CCCCCCCC\C=C\CC(=O)O CHEBI:38373 [0,2,0,0,0,0|0,0,0]=2 182 B13R0.54 CCCCCCCC\C=C\CC(=O)O CHEBI:38374 [0,2,0,0,0,0|0,0,0]=2 183 B13R0.54 CCCCCC\C=C/CCCC(=O)O CHEBI:86595 [0,2,0,0,0,0|0,0,0]=2 184 B13R0.54 CCCCCC\C=C\CCCC(=O)O CHEBI:83044 [0,2,0,0,0,0|0,0,0]=2 185 B13R0.54 CCCCCC\C=C\CCCC(=O)[O-] CHEBI:83046 [0,2,0,0,0,0|0,0,1]=3 186 B13R0.54 CCCCC\C=C/CC\C=C\C(=O)O CHEBI:37212 [0,2,0,0,0,0|0,0,2]=4 187 B13R0.54 CCCCC\C=C/C\C=C/CC(=O)O CHEBI:37210 [0,2,0,0,0,0|0,0,2]=4 188 B13R0.54 CC\C=C/CCCCCCCC(=O)O CHEBI:38377 [0,2,0,0,0,0|0,0,0]=2 189 B13R0.54 CC\C=C\CCCCCCCC(=O)O CHEBI:38375 [0,2,0,0,0,0|0,0,0]=2 190 B13R0.54 CC\C=C\CCCCCCCC(=O)O CHEBI:38376 [0,2,0,0,0,0|0,0,0]=2 191 B13R0.54 C\C=C/CCCCCCCCC(=O)O CHEBI:38380 [0,2,0,0,0,0|0,0,0]=2 192 B13R0.54 C\C=C\CCCCCCCCC(=O)O CHEBI:38378 [0,2,0,0,0,0|0,0,0]=2 193 B13R0.54 C\C=C\CCCCCCCCC(=O)O CHEBI:38379 [0,2,0,0,0,0|0,0,0]=2 194 B13R0.147 CCCCCCCCCCC(=O)OC CHEBI:87527 [0,2,0,0,0,0|0,0,0]=2 195 B13R0.147 COC(=O)CCCCCCCCC=C CHEBI:87493 [0,2,0,0,0,0|0,0,1]=3 196 B13R0.147 CSCCCCCCCCC(=NO)S CHEBI:133389 [0,2,0,0,0,0|0,1,0]=3 197 B13R0.150 CSCCCCCCCC(C(=O)O)N CHEBI:50713 [0,2,0,0,0,0|0,0,0]=2 198 B13R0.150 CSCCCCCCCC(C(=O)[O-])[NH3+] CHEBI:58835 [0,2,0,0,0,0|0,0,1]=3 199 B13R0.154 CCCCCCCC(=O)NCC(=O)O CHEBI:74099 [0,2,0,0,0,0|0,0,1]=3 200 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O CHEBI:41865 [0,2,0,0,0,0|0,0,1]=3 201 B13R0.179 C(CCCCC(=O)[O-])CCCC(=O)[O-] CHEBI:76283 [0,2,0,0,0,0|0,0,2]=4 202 B13R0.179 CC(C)CCCCCCCCC(=O)O CHEBI:84889 [0,2,0,0,0,0|0,0,0]=2 203 B13R0.179 CC(CCCCCCCCC(=O)O)O CHEBI:78956 [0,2,0,0,0,0|0,0,0]=2 204 B13R0.179 CC(CCCCCC\C=C\C(=O)O)O CHEBI:78953 [0,2,0,0,0,0|0,0,1]=3 205 B13R0.179 CS(=O)CCCCCCCCC(=O)N CHEBI:91157 [0,2,0,0,0,0|1,0,0]=3 206 B13R0.179 CS(=O)CCCCCCCCC(=O)O CHEBI:91156 [0,2,0,0,0,0|0,0,0]=2 207 B13R0.202 C=CC(CCCCCCCC(=O)O)O CHEBI:132854 [0,2,0,0,0,0|0,0,1]=3 208 B13R0.2 CCCCCCCCCC(=O)OCC CHEBI:87430 [0,2,0,0,0,0|0,0,0]=2 209 B13R0.2 CCCCCCC\C=C\C(=O)OCC CHEBI:87324 [0,2,0,0,0,0|0,0,2]=4 210 B13R0.2 CCOC(=O)CCCCCCCC=C CHEBI:87338 [0,2,0,0,0,0|0,0,2]=4 211 B13R0.61 CSCCCCCCC(C(=O)O)NO CHEBI:50762 [0,2,0,0,0,0|1,0,0]=3 212 B13R0.61 CSCCCCCCC(C(=O)[O-])NO CHEBI:58842 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.41 CCCC1CCCCC1CC CHEBI:84221 [1,0,0,1,0,0|1,0,1]=4 214 B11R1.92 C1CCCCC#CCCCC1 CHEBI:37818 [1,0,0,1,0,0|1,0,1]=4