0 B9R0.56 CC(=O)CCC[N+](C)(C)C CHEBI:44470 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:15355 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:2417 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:55316 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.56 C[N+](C)(C)CCCC(=O)O CHEBI:1941 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CHEBI:16244 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.56 C[N+](C)(C)CCOC(=O)N CHEBI:3385 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:1774 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:48867 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] CHEBI:11946 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] CHEBI:17237 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] CHEBI:131843 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.21 C[N+](C)(C)CCCC=O CHEBI:18020 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [1,0,0,0,0,0|1,0,0]=2 16 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:50142 [0,1,0,0,0,0|0,0,0]=1 17 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:6804 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3084 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3085 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73475 [0,1,0,0,0,0|0,1,0]=2 21 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73545 [0,1,0,0,0,0|0,1,0]=2 22 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59261 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59263 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59260 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59262 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)O CHEBI:16758 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.31 C[N+](C)(C)CC(=O)CC(=O)[O-] CHEBI:57885 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.31 C[N+](C)(C)CC(CC(=O)N)O CHEBI:48601 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.31 C[N+](C)(C)CC(CC(=O)N)O CHEBI:48604 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O CHEBI:3424 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O CHEBI:17126 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)N)O CHEBI:17159 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)N)O CHEBI:48602 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)O)O CHEBI:39547 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O CHEBI:16347 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)N)O CHEBI:48603 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)N)O CHEBI:50447 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)O)O CHEBI:51453 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)[O-])O CHEBI:11060 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.113 C[N+](C)(C)CCOP(=O)(O)O CHEBI:18132 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.113 C[N+](C)(C)CCOP(=O)(O)O CHEBI:61040 [0,1,0,0,0,0|2,0,0]=3 42 B10R0.113 C[N+](C)(C)CCOP(=O)([O-])[O-] CHEBI:295975 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.113 C[N+](C)(C)CCOS(=O)(=O)O CHEBI:52859 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.113 C[N+](C)(C)CCOS(=O)(=O)[O-] CHEBI:16822 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CHEBI:28825 [0,0,0,0,1,0|1,0,0]=2 46 B8R0.29 C[Si](C)(C)CCC(=O)O CHEBI:85487 [0,0,0,0,1,0|2,0,0]=3 47 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85363 [0,0,0,0,1,0|2,0,0]=3 48 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85486 [0,0,0,0,1,0|2,0,0]=3 49 B7R0.4 CC(C)CCOC=O CHEBI:31726 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.4 CC(C)CCON=O CHEBI:2691 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 CCCCCC(=O)C CHEBI:5672 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 CCCCOC(=O)C CHEBI:31328 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.1 CCC(=O)OCCC(C)C CHEBI:87419 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.77 C[N+](C)(C)CCP(=O)(O)O CHEBI:7347 [0,1,0,0,1,0|2,0,0]=4 56 B11R0.180 CCCC(=O)SCC[N+](C)(C)C CHEBI:41055 [0,2,0,0,0,0|0,1,0]=3 57 B9R1.35 CC(C1CC(=O)OC1)O CHEBI:87296 [1,0,0,1,0,0|2,0,0]=4 58 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [1,0,0,0,1,0|2,0,0]=4 59 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [1,0,0,0,1,0|2,0,0]=4 60 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [1,0,0,0,1,0|2,0,0]=4 61 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [1,0,0,0,1,0|1,0,0]=3 62 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [1,0,0,0,1,0|2,0,0]=4 63 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [1,0,0,0,1,0|2,0,0]=4 64 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [1,0,0,0,1,0|2,0,0]=4 65 B7R0.6 C[S+](C)CCC(=O)[O-] CHEBI:16457 [1,0,0,0,1,0|2,0,0]=4 66 B7R0.9 CC(=O)CC(C)(C)O CHEBI:55381 [0,0,0,0,2,0|2,0,0]=4 67 B7R0.9 CC(=O)CC(C)(C)S CHEBI:77856 [0,0,0,0,2,0|2,0,0]=4 68 B7R0.9 CC(C)(C)CC(=O)O CHEBI:38647 [0,0,0,0,2,0|2,0,0]=4 69 B7R0.9 CC(C[N+](C)(C)C)O CHEBI:17059 [0,0,0,0,2,0|0,0,2]=4 70 B7R0.9 C[N+](C)(C)CC(=O)O CHEBI:41139 [0,0,0,0,2,0|1,0,0]=3 71 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:17750 [0,0,0,0,2,0|1,0,0]=3 72 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:91242 [0,0,0,0,2,0|1,0,0]=3