0 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CHEBI:45599 [0,0,0,0,0,0|0,0,0]=0 1 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CHEBI:23872 [0,0,0,0,0,0|0,0,1]=1 2 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CHEBI:8984 [0,0,0,0,0,0|0,0,1]=1 3 B16R0.1188 CCCCCCCC\C=C/CCOS(=O)(=O)O CHEBI:83083 [0,0,0,0,0,0|0,0,2]=2 4 B16R0.1188 CCCCCCCC\C=C/CCOS(=O)(=O)[O-] CHEBI:82995 [0,0,0,0,0,0|0,0,3]=3 5 B16R0.1188 CCCCC\C=C/C\C=C/CCOS(=O)(=O)O CHEBI:83116 [0,0,0,0,0,0|0,0,4]=4 6 B15R0.164 C(CCCCCCO)CCCCCC(=O)O CHEBI:79166 [1,0,0,0,0,0|3,0,0]=4 7 B15R0.164 CCCCCCCCCCCCCC(=O)O CHEBI:28875 [1,0,0,0,0,0|2,0,0]=3 8 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CHEBI:30807 [1,0,0,0,0,0|2,0,1]=4 9 B15R0.164 CCCCCCCCCCC\C=C/C(=O)O CHEBI:87147 [1,0,0,0,0,0|2,0,1]=4 10 B15R0.164 CCCCCCCCCCC\C=C\C(=O)O CHEBI:37271 [1,0,0,0,0,0|2,0,1]=4 11 B15R0.164 CCCCCCCCCCC\C=C\C(=O)O CHEBI:61366 [1,0,0,0,0,0|2,0,1]=4 12 B14R0.392 CCCCCCCCCCCCCC=O CHEBI:84067 [2,0,0,0,0,0|2,0,0]=4 13 B14R0.392 CCCCCCCCCCCCCCO CHEBI:77417 [2,0,0,0,0,0|2,0,0]=4 14 B14R0.394 C(CCCCCC(=O)O)CCCCCBr CHEBI:49519 [2,0,0,0,0,0|2,0,0]=4 15 B14R0.394 C(CCCCCC(=O)O)CCCCCN CHEBI:42025 [2,0,0,0,0,0|2,0,0]=4 16 B14R0.394 C(CCCCCC(=O)O)CCCCCO CHEBI:39567 [2,0,0,0,0,0|2,0,0]=4 17 B14R0.394 CCCCCCCCCCCCC(=O)O CHEBI:45919 [2,0,0,0,0,0|1,0,0]=3 18 B14R0.394 CCCCCCCCCCCCC(=O)[O-] CHEBI:125832 [2,0,0,0,0,0|1,0,1]=4 19 B14R0.394 CCCCCCCCCCCCC(C)O CHEBI:84284 [2,0,0,0,0,0|2,0,0]=4 20 B14R0.88 CCCCCCCCCCNS(=O)(=O)O CHEBI:83086 [2,0,0,0,0,0|1,0,0]=3 21 B14R0.88 CCCCCCCCCCNS(=O)(=O)[O-] CHEBI:82998 [2,0,0,0,0,0|1,0,1]=4 22 B14R0.88 CCCCCCCCCCOS(=O)(=O)O CHEBI:83121 [2,0,0,0,0,0|0,0,0]=2 23 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] CHEBI:83020 [2,0,0,0,0,0|0,0,1]=3 24 B14R0.88 CCCCCC\C=C/CCOS(=O)(=O)O CHEBI:83115 [2,0,0,0,0,0|0,0,2]=4 25 B14R0.88 CCCCCC\C=C\CCOS(=O)(=O)O CHEBI:83076 [2,0,0,0,0,0|0,0,2]=4 26 B16R0.131 CCCCC(C)CCCCCCCCC(=O)O CHEBI:132910 [1,1,0,0,0,0|2,0,0]=4 27 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O CHEBI:39251 [1,1,0,0,0,0|2,0,0]=4 28 B16R0.224 CCCCCCCCCCCCC(C(=O)O)O CHEBI:59270 [1,1,0,0,0,0|2,0,0]=4 29 B16R0.224 CCCCCCCCCCCC[C@@H](C(=O)O)O CHEBI:85937 [1,1,0,0,0,0|2,0,0]=4 30 B16R0.224 CCCCCCCCCCCC[C@H](C(=O)O)O CHEBI:85934 [1,1,0,0,0,0|2,0,0]=4 31 B16R0.274 C(CCCCCCC(=O)O)CCCCCCO CHEBI:77168 [1,1,0,0,0,0|2,0,0]=4 32 B16R0.274 CCCCCCCCCCCCCCC(=O)O CHEBI:42504 [1,1,0,0,0,0|2,0,0]=4 33 B16R0.274 CCCCCCCCCCCC\C=C\C(=O)O CHEBI:78992 [1,1,0,0,0,0|2,0,0]=4 34 B16R0.274 CCCCCCCCCCCC\C=C\C(=O)O CHEBI:79000 [1,1,0,0,0,0|2,0,0]=4 35 B16R0.302 CCCCCCCCCCCC(CC(=O)O)O CHEBI:85148 [1,1,0,0,0,0|2,0,0]=4 36 B16R0.302 CCCCCCCCCCC[C@@H](CC(=O)O)O CHEBI:37374 [1,1,0,0,0,0|2,0,0]=4 37 B16R0.302 CCCCCCCCCCC[C@H](CC(=O)O)O CHEBI:42539 [1,1,0,0,0,0|2,0,0]=4 38 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CHEBI:39250 [1,1,0,0,0,0|2,0,0]=4 39 B16R0.3288 CC(CCCCCCCCCCCC(=O)O)O CHEBI:132473 [1,1,0,0,0,0|2,0,0]=4 40 B16R0.3288 C[C@H](CCCCCCCCCCCC(=O)O)O CHEBI:78989 [1,1,0,0,0,0|2,0,0]=4