0 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)CCCC(=O)[O-] CHEBI:12154 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.28 CC(=O)NCCC(=O)O CHEBI:16682 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(=O)NCCC(=O)[O-] CHEBI:57857 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CC(=O)O[Hg]OC(=O)C CHEBI:33211 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.28 CC(CCC=C(C)C)O CHEBI:15833 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.28 CC(CCCC(=O)[O-])O CHEBI:132985 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CC(=O)NCCC=O CHEBI:30322 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 CC(=O)NCCCN CHEBI:35414 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 CC(=O)NCCC[NH3+] CHEBI:70988 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CC(C)CCOC=O CHEBI:31726 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.4 CC(C)CCON=O CHEBI:2691 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 CCCCC[C@H](C)O CHEBI:87378 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CCCCOC(=O)C CHEBI:31328 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CCC\C=C\C(=O)[O-] CHEBI:87722 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 CNCCCC(=O)[O-] CHEBI:20441 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.1 CC(C)CCCC(C)CO CHEBI:83104 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.1 CC(CCC=C(C)C)CO CHEBI:87594 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.1 CCC(=C)\C=C/CC(C)C CHEBI:59161 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.1 CCC(=O)OCCC(C)C CHEBI:87419 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.1 C[C@@H](CCCC(C)C)CO CHEBI:83008 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.1 C[C@H](CCCC(C)C)CO CHEBI:83009 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.7 CC(=O)OC[C@@H](C(=O)[O-])[NH3+] CHEBI:58340 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.7 CC(CCC(C(=O)O)N)N CHEBI:16926 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.7 CC(CCC(C(=O)[O-])[NH3+])[NH3+] CHEBI:57950 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.7 C[S+](C)CC[C@@H](C(=O)O)N CHEBI:17728 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.7 C[S+](C)CC[C@@H](C(=O)[O-])N CHEBI:67050 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.7 C[S+](C)CC[C@@H](C(=O)[O-])[NH3+] CHEBI:58252 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.53 C[C@@H](C[C@@H](CC(=O)O)N)N CHEBI:15616 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.53 C[C@@H](C[C@@H](CC(=O)[O-])N)N CHEBI:21282 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.53 C[C@@H](C[C@@H](CC(=O)[O-])[NH3+])[NH3+] CHEBI:57436 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.56 CC(=O)CCC[N+](C)(C)C CHEBI:44470 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:15355 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:2417 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.56 CC(=O)OCC[N+](C)(C)C CHEBI:55316 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.56 CN(C)CCOP(=O)(O)O CHEBI:31997 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.56 C[N+](C)(C)CCCC(=O)O CHEBI:1941 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CHEBI:16244 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.56 C[N+](C)(C)CCOC(=O)N CHEBI:3385 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.56 C[NH+](C)CCOP(=O)([O-])[O-] CHEBI:58641 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.35 CC(C1CC(=O)OC1)O CHEBI:87296 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.66 CC1(CCCC(=C1)O)C CHEBI:131397 [0,0,0,1,0,0|1,0,2]=4 65 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [0,0,0,0,1,0|1,0,1]=3 66 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [0,0,0,0,1,0|2,0,1]=4 67 B7R0.6 CC(=O)CCC(=O)[O-] CHEBI:39150 [0,0,0,0,1,0|2,0,1]=4 68 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [0,0,0,0,1,0|1,0,0]=2 69 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [0,0,0,0,1,0|1,0,0]=2 70 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [0,0,0,0,1,0|0,0,0]=1 71 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [0,0,0,0,1,0|1,0,0]=2 72 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [0,0,0,0,1,0|1,0,0]=2 73 B7R0.6 CC(CCC(C)O)O CHEBI:84894 [0,0,0,0,1,0|1,0,2]=4 74 B7R0.6 CN(C)CCN(C)C CHEBI:32850 [0,0,0,0,1,0|3,0,0]=4 75 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [0,0,0,0,1,0|1,0,0]=2 76 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [0,0,0,0,1,0|2,0,0]=3 77 B7R0.6 C[S+](C)CCC(=O)[O-] CHEBI:16457 [0,0,0,0,1,0|2,0,0]=3 78 B9R0.55 CC(CCCCC(=O)O)O CHEBI:78774 [0,0,0,0,0,1|3,0,0]=4 79 B9R0.55 C[C@@H](CCCCC(=O)O)O CHEBI:78781 [0,0,0,0,0,1|3,0,0]=4 80 B9R0.55 C[C@H](CCCCC(=O)O)O CHEBI:78775 [0,0,0,0,0,1|3,0,0]=4 81 B9R0.55 C[C@H](CC\C=C\C(=O)O)O CHEBI:78831 [0,0,0,0,0,1|3,0,0]=4 82 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.4 CC(=O)CCC=O CHEBI:87363 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(=O)NCCO CHEBI:74687 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(=O)NCCS CHEBI:74410 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)SCCN CHEBI:17853 [2,0,0,0,0,0|1,1,0]=4 91 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [2,0,0,0,0,0|1,1,0]=4 92 B6R0.4 CC(C)CCC=O CHEBI:17998 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.4 CC(C)CCCO CHEBI:63910 [2,0,0,0,0,0|0,0,2]=4 94 B6R0.4 CC(C)CON=O CHEBI:46643 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CC(C)\C=N\OC CHEBI:16616 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CC(C)\C=N\OC CHEBI:35961 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCCCC(=O)N CHEBI:16459 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 CCCCC(=O)O CHEBI:17418 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.4 CCCCN(C)C CHEBI:59023 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.4 CCCOC(=O)C CHEBI:40116 [2,0,0,0,0,0|0,0,0]=2 102 B6R0.4 CCNCC(=O)O CHEBI:15620 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 CSCCC(=O)O CHEBI:1438 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 C[S+](C)CCC=O CHEBI:74027 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.6 CCCCCC=O CHEBI:88528 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.6 CCCCCCC CHEBI:43098 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 CCCCN=C=O CHEBI:136519 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.6 CCCCNC=O CHEBI:84287 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.6 CCC\C=C/C=O CHEBI:18554 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCC\C=C\C=O CHEBI:19591 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.6 CCC\C=C\C=O CHEBI:28913 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.6 CCOCCCO CHEBI:87489 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.5 CCCC(CC(=O)O)O CHEBI:37035 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.5 CCCC(CC(=O)[O-])O CHEBI:20070 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.5 CCC[C@@H](CC(=O)O)O CHEBI:37049 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.5 CCOC(=O)CC(C)C CHEBI:31571 [1,1,0,0,0,0|0,0,2]=4 119 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.6 CCCCOC(=O)C=C CHEBI:3245 [1,1,0,0,0,0|0,0,1]=3 122 B8R0.6 CCCOCC(=O)CO CHEBI:37553 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.7 C(CCC(=O)[O-])CCN CHEBI:32396 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.7 C(CCC(=O)[O-])CCN CHEBI:78395 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.7 C(CCC(=O)[O-])CCO CHEBI:32383 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.7 C(CCC(=O)[O-])CC[NH3+] CHEBI:57826 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.7 C(CCNC(=O)N)CN CHEBI:17902 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.7 C(CCNC(=O)N)C[NH3+] CHEBI:58318 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.7 CC(=O)CCCCC=C CHEBI:87581 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.7 CC(=O)NCCCC=O CHEBI:7386 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.7 CC(=O)NCCCCN CHEBI:17768 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.7 CC(=O)NCCCC[NH3+] CHEBI:58263 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.7 CC(=O)OCCCC=C CHEBI:87515 [1,1,0,0,0,0|0,0,1]=3 138 B8R0.7 CC(=O)OCCCSC CHEBI:87281 [1,1,0,0,0,0|0,0,0]=2 139 B8R0.7 CCCCCCC(=O)C CHEBI:87434 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.7 CCCCCCC(=O)[O-] CHEBI:32362 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.7 CCCCCOC(=O)C CHEBI:87362 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.7 CCCC\C=C/C(=O)O CHEBI:38365 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.7 CCCC\C=C\C(=O)O CHEBI:36152 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.7 CCCC\C=C\C(=O)O CHEBI:38364 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.7 CCCOCCC(=O)C CHEBI:132292 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.8 CC(=O)N(CCCN)O CHEBI:74403 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.8 CCCCC(=O)C(=O)O CHEBI:17308 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.8 CCCCC(=O)C(=O)[O-] CHEBI:35177 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.8 CCCCC(C(=O)O)N CHEBI:36405 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.8 CCCCC(C(=O)O)O CHEBI:86542 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.8 CCCCC(C(=O)[O-])O CHEBI:133738 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.8 CCCC[C@@H](C(=O)O)N CHEBI:18347 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.8 CCCC[C@@H](C(=O)[O-])N CHEBI:21203 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.8 CCCC[C@@H](C(=O)[O-])[NH3+] CHEBI:58455 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.8 CCCC[C@H](C(=O)O)N CHEBI:42101 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.8 C[C@@H]([C@H](CCC=O)O)O CHEBI:32485 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.8 C[C@H]([C@H](CCC=O)O)O CHEBI:30941 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.9 CCC(C)COC(=O)C CHEBI:50585 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.21 C[N+](C)(C)CCCC=O CHEBI:18020 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.23 CC(C)C(=O)CC(=O)O CHEBI:29024 [0,1,0,0,1,0|1,0,1]=4 162 B8R0.23 CC(C)C(=O)CC(=O)[O-] CHEBI:62222 [0,1,0,0,1,0|1,0,1]=4 163 B8R0.23 CC(C)C(CC(=O)O)N CHEBI:72772 [0,1,0,0,1,0|1,0,0]=3 164 B8R0.23 CC(C)CC(=O)C(=O)O CHEBI:48430 [0,1,0,0,1,0|1,0,1]=4 165 B8R0.23 CC(C)CC(=O)C(=O)[O-] CHEBI:17865 [0,1,0,0,1,0|1,0,1]=4 166 B8R0.23 CC(C)CC(C(=O)O)N CHEBI:25017 [0,1,0,0,1,0|1,0,0]=3 167 B8R0.23 CC(C)CC(C(=O)O)O CHEBI:59783 [0,1,0,0,1,0|1,0,0]=3 168 B8R0.23 CC(C)CC(C(=O)O)[NH3+] CHEBI:32628 [0,1,0,0,1,0|1,0,0]=3 169 B8R0.23 CC(C)CC(C(=O)[O-])N CHEBI:32627 [0,1,0,0,1,0|1,0,0]=3 170 B8R0.23 CC(C)CC(C(=O)[O-])O CHEBI:133577 [0,1,0,0,1,0|1,0,0]=3 171 B8R0.23 CC(C)C[C@@H](C(=O)N)N CHEBI:21349 [0,1,0,0,1,0|1,0,0]=3 172 B8R0.23 CC(C)C[C@@H](C(=O)O)N CHEBI:15603 [0,1,0,0,1,0|1,0,0]=3 173 B8R0.23 CC(C)C[C@@H](C(=O)O)O CHEBI:44510 [0,1,0,0,1,0|1,0,0]=3 174 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH3+] CHEBI:32620 [0,1,0,0,1,0|1,0,0]=3 175 B8R0.23 CC(C)C[C@@H](C(=O)[O-])N CHEBI:32619 [0,1,0,0,1,0|1,0,0]=3 176 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] CHEBI:57427 [0,1,0,0,1,0|1,0,0]=3 177 B8R0.23 CC(C)C[C@H](C(=O)O)N CHEBI:28225 [0,1,0,0,1,0|1,0,0]=3 178 B8R0.23 CC(C)C[C@H](C(=O)O)O CHEBI:55534 [0,1,0,0,1,0|1,0,0]=3 179 B8R0.23 CC(C)C[C@H](C(=O)O)[NH3+] CHEBI:32624 [0,1,0,0,1,0|1,0,0]=3 180 B8R0.23 CC(C)C[C@H](C(=O)[O-])N CHEBI:32623 [0,1,0,0,1,0|1,0,0]=3 181 B8R0.23 CC(C)C[C@H](C(=O)[O-])O CHEBI:55535 [0,1,0,0,1,0|1,0,0]=3 182 B8R0.23 CC(C)[C@@H](CC(=O)O)N CHEBI:15604 [0,1,0,0,1,0|1,0,0]=3 183 B8R0.23 CC(C)[C@@H](CC(=O)[O-])[NH3+] CHEBI:57428 [0,1,0,0,1,0|1,0,0]=3 184 B8R0.23 CC(C)[C@H](CC(=O)O)N CHEBI:86261 [0,1,0,0,1,0|1,0,0]=3 185 B8R0.23 CC(CC(C(=O)O)N)N CHEBI:904 [0,1,0,0,1,0|2,0,0]=4 186 B8R0.23 CC(CC(C(=O)[O-])N)N CHEBI:16594 [0,1,0,0,1,0|2,0,0]=4 187 B8R0.23 CC(CC(C(=O)[O-])[NH3+])[NH3+] CHEBI:58935 [0,1,0,0,1,0|2,0,0]=4 188 B8R0.23 CN(C)CC(C(=O)O)N CHEBI:88163 [0,1,0,0,1,0|2,0,0]=4 189 B8R0.23 C[C@@H](C[C@H](C(=O)O)N)N CHEBI:4280 [0,1,0,0,1,0|2,0,0]=4 190 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])N)N CHEBI:15601 [0,1,0,0,1,0|2,0,0]=4 191 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:58697 [0,1,0,0,1,0|2,0,0]=4 192 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CHEBI:28825 [0,1,0,0,1,0|2,0,0]=4 193 B8R0.29 C[Si](C)(C)CCC(=O)O CHEBI:85487 [0,1,0,0,1,0|1,1,0]=4 194 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85363 [0,1,0,0,1,0|1,1,0]=4 195 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85486 [0,1,0,0,1,0|1,1,0]=4 196 B10R0.98 CC(C)CCOC(=O)C(C)C CHEBI:87537 [0,1,0,0,0,1|1,0,1]=4 197 B10R0.98 CC(C)CCOC(=O)C(C)O CHEBI:87534 [0,1,0,0,0,1|0,0,2]=4 198 B10R0.3 CC(CCC=C(C)C)CC=O CHEBI:47856 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.3 CC(CCC=C(C)C)CCO CHEBI:50462 [0,2,0,0,0,0|2,0,0]=4 200 B10R0.3 CCCC(=O)OCCC(C)C CHEBI:87422 [0,2,0,0,0,0|0,0,0]=2 201 B10R0.3 CCCC(CCOC(=O)C)S CHEBI:77818 [0,2,0,0,0,0|1,0,0]=3 202 B10R0.3 C[C@@H](CCC=C(C)C)CC=O CHEBI:368 [0,2,0,0,0,0|2,0,0]=4 203 B10R0.3 C[C@@H](CCC=C(C)C)CCO CHEBI:88 [0,2,0,0,0,0|2,0,0]=4 204 B10R0.3 C[C@H](CCC=C(C)C)CC=O CHEBI:299 [0,2,0,0,0,0|2,0,0]=4 205 B10R0.3 C[C@H](CCC=C(C)C)CCO CHEBI:10360 [0,2,0,0,0,0|2,0,0]=4 206 B10R0.82 CC(C)C(=C)C\C=C(/C)\C=O CHEBI:27049 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.82 CC(C)C(=C)C\C=C(\C)/C=O CHEBI:17546 [0,2,0,0,0,0|1,0,1]=4 208 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:50142 [0,2,0,0,0,0|1,0,0]=3 209 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:6804 [0,2,0,0,0,0|1,0,0]=3 210 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3084 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N CHEBI:3085 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73475 [0,2,0,0,0,0|1,1,0]=4 213 B10R0.31 CC(C[N+](C)(C)C)SC(=O)C CHEBI:73545 [0,2,0,0,0,0|1,1,0]=4 214 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59261 [0,2,0,0,0,0|2,0,0]=4 215 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N CHEBI:59263 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59260 [0,2,0,0,0,0|2,0,0]=4 217 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N CHEBI:59262 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN CHEBI:64356 [0,2,0,0,0,0|2,0,0]=4 219 B8R1.1 CCC1CCC(=O)O1 CHEBI:85235 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.4 C1CC(CC(=O)C1)O CHEBI:17611 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.7 CC(=O)C1=NCCC1 CHEBI:67125 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.19 CC1=CCCC1(C)C CHEBI:49154 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.22 C1CCC(=O)NCC1 CHEBI:28579 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [1,0,0,1,0,0|0,0,0]=2 225 B8R1.43 CC(C)N1CC1C=O CHEBI:51360 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.3 C1CC(=O)CCC1=O CHEBI:28286 [0,0,0,1,1,0|1,0,1]=4 227 B10R1.13 CC(C)C1CCC(=C)CC1 CHEBI:59156 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.13 CC1=CCC(C=C1)C(C)C CHEBI:50035 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.13 CC1=CCC(CC1)C(C)C CHEBI:134312 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CHEBI:301 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CHEBI:367 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.13 CC1=CC[C@H](CC1)C(C)C CHEBI:134313 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.329 CC1=CC(=O)CC(C1)(C)C CHEBI:34800 [0,1,0,1,0,0|1,0,1]=4 234 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,0,0,0,2,0|1,0,1]=4 235 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,0,0,0,2,0|1,0,1]=4 236 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,0,0,0,2,0|1,0,0]=3 237 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,0,0,0,2,0|1,0,0]=3 238 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,0,0,0,2,0|2,0,0]=4 239 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,0,0,0,2,0|2,0,0]=4 240 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,0,0,0,2,0|2,0,0]=4 241 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,0,0,0,2,0|2,0,0]=4 242 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,0,0,0,2,0|2,0,0]=4 243 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,0,0,0,2,0|2,0,0]=4 244 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,0,0,0,2,0|2,0,0]=4 245 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,0,0,0,2,0|2,0,0]=4 246 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,0,0,0,2,0|2,0,0]=4 247 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,0,0,0,2,0|2,0,0]=4 248 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,0,0,0,2,0|2,0,0]=4 249 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,0,0,0,2,0|2,0,0]=4 250 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,0,0,0,2,0|2,0,0]=4 251 B10R0.97 CC(=O)OCCCOC(=O)C CHEBI:87360 [0,0,0,0,0,2|1,0,1]=4 252 B10R0.97 CC(C)CCCCCC(=O)O CHEBI:37108 [0,0,0,0,0,2|2,0,0]=4